-ISIS- 02091117132D 6 5 0 0 0 0 0 0 0 0999 V2000 5.5917 2.4250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00001) COL-00001 > (COL-00001) x > (COL-00001) 1-Bromo-3-methoxypropane > (COL-00001) 36865-41-5 > (COL-00001) MFCD02258473 > (COL-00001) 5g > (COL-00001) 25g > (COL-00001) $42.00 > (COL-00001) $173.00 > (COL-00001) >97% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 6 7 1 0 0 0 0 M END > (COL-00002) COL-00002 > (COL-00002) x > (COL-00002) x > (COL-00002) 2-Chloro-5-hydroxypyridine > (COL-00002) 41288-96-4 > (COL-00002) MFCD00234050 > (COL-00002) 1g > (COL-00002) 5g > (COL-00002) 25g > (COL-00002) $23.00 > (COL-00002) $83.00 > (COL-00002) $384.00 > (COL-00002) >98% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 2.6167 0.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 5 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00003) COL-00003 > (COL-00003) x > (COL-00003) x > (COL-00003) 2-Bromo-5-hydroxypyridine > (COL-00003) 55717-45-8 > (COL-00003) MFCD04114184 > (COL-00003) 1g > (COL-00003) $25.00 > (COL-00003) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 2.9083 -0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 5 9 2 0 0 0 0 M END > (COL-00004) COL-00004 > (COL-00004) x > (COL-00004) x > (COL-00004) 5-hydroxy-2-pyridinecarboxylic acid > (COL-00004) 15069-92-8 > (COL-00004) MFCD00661309 > (COL-00004) 1g > (COL-00004) 5g > (COL-00004) $68.00 > (COL-00004) $281.00 > (COL-00004) >98% $$$$ -ISIS- 02091117132D 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 9 9 0 0 0 M V30 BEGIN ATOM M V30 1 C 3.72923 0.416633 0 0 M V30 2 C 3.72923 -0.416667 0 0 M V30 3 N 3.01663 -0.824966 0 0 M V30 4 C 2.30003 -0.416667 0 0 M V30 5 C 2.30003 0.416633 0 0 M V30 6 C 3.01663 0.825034 0 0 M V30 7 Br 1.57913 -0.833367 0 0 M V30 8 C 4.44305 0.83027 0 0 M V30 9 N 5.15686 1.24391 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 3 4 M V30 2 1 4 5 M V30 3 2 5 6 M V30 4 1 6 1 M V30 5 1 4 7 M V30 6 2 1 2 M V30 7 1 1 8 M V30 8 1 2 3 M V30 9 3 8 9 M V30 END BOND M V30 BEGIN COLLECTION M V30 MDLV30/HILITE ATOMS=(1 8) M V30 END COLLECTION M V30 END CTAB M END > (COL-00005) COL-00005 > (COL-00005) x > (COL-00005) x > (COL-00005) 2-Bromo-5-cyanopyridine > (COL-00005) 139585-70-9 > (COL-00005) MFCD00234141 > (COL-00005) 1g > (COL-00005) $20.00 > (COL-00005) >98% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.3250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 3 2 1 0 0 0 0 M END > (COL-00006) COL-00006 > (COL-00006) x > (COL-00006) x > (COL-00006) 3-Bromo-5-hydroxypyridine > (COL-00006) 74115-13-2 > (COL-00006) MFCD00661305 > (COL-00006) 1g > (COL-00006) 5g > (COL-00006) $24.00 > (COL-00006) $92.00 > (COL-00006) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 13.3000 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2000 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 -0.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6500 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5500 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9542 -0.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -4.2125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.5500 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6500 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 12 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 4 1 0 0 0 0 11 6 2 0 0 0 0 M END > (COL-00007) COL-00007 > (COL-00007) x > (COL-00007) x > (COL-00007) N-(4-Bromophenyl)-2-chloropropanamide > (COL-00007) MFCD03984459 > (COL-00007) 250mg > (COL-00007) 500mg > (COL-00007) 1g > (COL-00007) $82.00 > (COL-00007) $89.00 > (COL-00007) $150.00 > (COL-00007) >96% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3958 -13.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -13.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -14.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -14.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -15.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -13.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 -15.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -13.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -14.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -12.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -15.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 10 13 1 0 0 0 0 M END > (COL-00008) COL-00008 > (COL-00008) x > (COL-00008) x > (COL-00008) 2-Chloro-N-(2-fluorophenyl)propanamide > (COL-00008) MFCD02662254 > (COL-00008) 250mg > (COL-00008) 500mg > (COL-00008) 1g > (COL-00008) $82.00 > (COL-00008) $89.00 > (COL-00008) $150.00 > (COL-00008) >96% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 11.4917 -8.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8167 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -8.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1792 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8167 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1292 -8.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8542 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4542 -8.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -8.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.4917 -5.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1292 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 9 10 2 0 0 0 0 M END > (COL-00009) COL-00009 > (COL-00009) x > (COL-00009) x > (COL-00009) x > (COL-00009) 2-Chloro-N-(5-chloro-2-hydroxyphenyl)propanamide > (COL-00009) MFCD02662255 > (COL-00009) 1g > (COL-00009) 5g > (COL-00009) 10g > (COL-00009) $58.00 > (COL-00009) $150.00 > (COL-00009) $270.00 > (COL-00009) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 0.0875 -1.2583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8500 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2083 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1542 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 0.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 18 2 0 0 0 0 15 13 2 0 0 0 0 17 19 2 0 0 0 0 M END > (COL-00010) COL-00010 > (COL-00010) x > (COL-00010) x > (COL-00010) x > (COL-00010) 2-{[(4-Bromophenyl)sulphonyl]amino}benzamide > (COL-00010) MFCD01337074 > (COL-00010) 250mg > (COL-00010) 500mg > (COL-00010) 1g > (COL-00010) $82.00 > (COL-00010) $123.00 > (COL-00010) $142.00 > (COL-00010) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 15 2 0 0 0 0 8 16 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 5 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 18 8 2 0 0 0 0 17 7 1 0 0 0 0 M END > (COL-00011) COL-00011 > (COL-00011) x > (COL-00011) x > (COL-00011) 1,3-Bis(4-chlorophenyl)urea > (COL-00011) 1219-99-4 > (COL-00011) MFCD00018541 > (COL-00011) 1g > (COL-00011) 5g > (COL-00011) 10g > (COL-00011) $59.00 > (COL-00011) $78.00 > (COL-00011) $158.00 > (COL-00011) >97% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 -3.0958 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 1.3583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.2083 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5333 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 3.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.1583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 3 4 1 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00012) COL-00012 > (COL-00012) x > (COL-00012) x > (COL-00012) 4-Bromo-3-(bromomethyl)-2-methyl-1-phenylpyrazolin-5-one > (COL-00012) MFCD00129260 > (COL-00012) 1g > (COL-00012) 10g > (COL-00012) $33.00 > (COL-00012) $62.00 > (COL-00012) >97% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 -2.6583 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 15 11 2 0 0 0 0 16 12 1 0 0 0 0 12 8 2 0 0 0 0 M END > (COL-00013) COL-00013 > (COL-00013) x > (COL-00013) x > (COL-00013) x > (COL-00013) 3-(N-(2,4-Difluorophenyl)carbamoyl)prop-2-enoic acid > (COL-00013) 198077-70-2 > (COL-00013) MFCD00052467 > (COL-00013) 250mg > (COL-00013) 500mg > (COL-00013) 1g > (COL-00013) $82.00 > (COL-00013) $123.00 > (COL-00013) $150.00 > (COL-00013) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 3.5042 1.0583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 1.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 4.7917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -1.4417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 16 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 19 1 0 0 0 0 19 12 1 0 0 0 0 11 12 2 0 0 0 0 17 9 2 0 0 0 0 M END > (COL-00014) COL-00014 > (COL-00014) x > (COL-00014) x > (COL-00014) x > (COL-00014) 4-(Bromomethyl)-N-(4-fluorophenyl)benzenesulphonamide > (COL-00014) 260969-08-2 > (COL-00014) MFCD00169942 > (COL-00014) 250mg > (COL-00014) 500mg > (COL-00014) 1g > (COL-00014) $82.00 > (COL-00014) $123.00 > (COL-00014) $150.00 > (COL-00014) >95% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 -2.6583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00015) COL-00015 > (COL-00015) x > (COL-00015) 4-t-Butyl-3-methoxybenzoic acid > (COL-00015) 79822-46-1 > (COL-00015) MFCD06656116 > (COL-00015) 1g > (COL-00015) 10g > (COL-00015) $38.00 > (COL-00015) $64.00 > (COL-00015) >97% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 4.9667 2.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 5 4 1 0 0 0 0 6 9 1 0 0 0 0 M END > (COL-00016) COL-00016 > (COL-00016) x > (COL-00016) 5-Fluorooxindole > (COL-00016) 56341-41-4 > (COL-00016) MFCD02179598 > (COL-00016) 1g > (COL-00016) 10g > (COL-00016) $38.00 > (COL-00016) $139.00 > (COL-00016) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 3.1333 -0.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1333 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 1.0333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 3 4 2 0 0 0 0 M END > (COL-00017) COL-00017 > (COL-00017) x > (COL-00017) 3-Bromo-5-chloro-2-methoxypyridine > (COL-00017) 102830-75-1 > (COL-00017) MFCD08059322 > (COL-00017) 1g > (COL-00017) 5g > (COL-00017) $129.00 > (COL-00017) $454.00 > (COL-00017) >97% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 -3.6958 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.8208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00018) COL-00018 > (COL-00018) x > (COL-00018) x > (COL-00018) 2-Chloro-5-(chloromethyl)thiazole > (COL-00018) 105827-91-6 > (COL-00018) MFCD01073549 > (COL-00018) 5g > (COL-00018) $44.00 > (COL-00018) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 3.9042 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 0.6417 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1875 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 0.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4667 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.6458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 7 9 2 0 0 0 0 M CHG 2 2 1 6 -1 M END > (COL-00019) COL-00019 > (COL-00019) x > (COL-00019) x > (COL-00019) 2-Amino-5-bromo-4-methyl-3-nitropyridine > (COL-00019) 100367-40-6 > (COL-00019) MFCD00092197 > (COL-00019) 1g > (COL-00019) 5g > (COL-00019) 10g > (COL-00019) $62.00 > (COL-00019) $199.00 > (COL-00019) $314.00 > (COL-00019) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.1375 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -1.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.2625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.2917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00020) COL-00020 > (COL-00020) x > (COL-00020) 3-Trifluoromethyl-1H-pyrazole > (COL-00020) 20154-03-4 > (COL-00020) MFCD09860582 > (COL-00020) 1g > (COL-00020) 5g > (COL-00020) $89.00 > (COL-00020) $319.00 > (COL-00020) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 1.8583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 3.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 8 11 2 0 0 0 0 M END > (COL-00021) COL-00021 > (COL-00021) x > (COL-00021) x > (COL-00021) 2-Bromo-5-hydroxybenzotrifluoride > (COL-00021) 320-49-0 > (COL-00021) MFCD03095342 > (COL-00021) 1g > (COL-00021) 5g > (COL-00021) 10g > (COL-00021) $49.00 > (COL-00021) $149.00 > (COL-00021) $249.00 > (COL-00021) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 3.2625 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.4500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 6 9 1 0 0 0 0 M END > (COL-00022) COL-00022 > (COL-00022) x > (COL-00022) x > (COL-00022) 4-Bromopyridine-2-carboxylic acid > (COL-00022) 30766-03-1 > (COL-00022) MFCD03426665 > (COL-00022) 1g > (COL-00022) 5g > (COL-00022) 10g > (COL-00022) $99.00 > (COL-00022) $399.00 > (COL-00022) $749.00 > (COL-00022) >98% $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 2.1542 0.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5917 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 10 2 1 0 0 0 0 M END > (COL-00023) COL-00023 > (COL-00023) x > (COL-00023) 4-(3-Chloropropyl)morpholine hydrochloride > (COL-00023) 57616-74-7 > (COL-00023) MFCD00035333 > (COL-00023) 1g > (COL-00023) 5g > (COL-00023) $118.00 > (COL-00023) $374.00 > (COL-00023) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 5.5667 0.1708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7417 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -0.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9792 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8375 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 8 5 2 0 0 0 0 14 15 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00024) COL-00024 > (COL-00024) 1-Cyclohexyl-4-nitrobenzene > (COL-00024) 5458-48-0 > (COL-00024) MFCD00130008 > (COL-00024) 1g > (COL-00024) 5g > (COL-00024) 10g > (COL-00024) $59.00 > (COL-00024) $239.00 > (COL-00024) $359.00 > (COL-00024) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.3583 1.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 2.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 8 12 2 0 0 0 0 M END > (COL-00025) COL-00025 > (COL-00025) x > (COL-00025) 1-Iodo-4-(2,2,2-trifluoroethoxy)benzene > (COL-00025) 530080-17-2 > (COL-00025) MFCD08458086 > (COL-00025) 1g > (COL-00025) $310.00 > (COL-00025) >97% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.7083 1.1083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6083 2.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.3583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0583 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.9833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 1.9583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 12 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 15 7 2 0 0 0 0 15 13 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00026) COL-00026 > (COL-00026) x > (COL-00026) 1-Nitro-4-(2,2,2-trifluoro-ethoxy)-benzene > (COL-00026) 62149-35-3 > (COL-00026) MFCD00077608 > (COL-00026) 1g > (COL-00026) 5g > (COL-00026) 10g > (COL-00026) $160.00 > (COL-00026) $454.00 > (COL-00026) $763.00 > (COL-00026) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.2958 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5083 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -0.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00027) COL-00027 > (COL-00027) x > (COL-00027) Furan-2,5-dicarboxylic acid > (COL-00027) 3238-40-2 > (COL-00027) MFCD00016582 > (COL-00027) 1g > (COL-00027) 5g > (COL-00027) 10g > (COL-00027) $54.00 > (COL-00027) $192.00 > (COL-00027) $373.00 > (COL-00027) >97% $$$$ -ISIS- 02091117132D 43 48 0 0 0 0 0 0 0 0999 V2000 7.8583 -2.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.1625 -2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7583 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5958 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -2.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2792 -2.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7083 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -2.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -2.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7083 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0208 -4.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9583 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -3.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2083 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6375 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 8 1 0 0 0 0 7 11 1 6 0 0 0 12 1 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 8 2 0 0 0 0 16 6 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 3 1 0 0 0 0 22 2 1 0 0 0 0 23 4 1 0 0 0 0 24 5 1 0 0 0 0 25 16 2 0 0 0 0 26 16 1 0 0 0 0 27 18 1 0 0 0 0 28 17 2 0 0 0 0 29 17 1 0 0 0 0 30 18 2 0 0 0 0 31 32 1 0 0 0 0 32 23 2 0 0 0 0 33 24 2 0 0 0 0 34 33 1 0 0 0 0 35 26 2 0 0 0 0 36 27 2 0 0 0 0 37 30 1 0 0 0 0 38 25 1 0 0 0 0 39 28 1 0 0 0 0 40 29 2 0 0 0 0 41 37 2 0 0 0 0 42 40 1 0 0 0 0 43 35 1 0 0 0 0 2 3 1 0 0 0 0 34 21 2 0 0 0 0 22 31 2 0 0 0 0 36 41 1 0 0 0 0 39 42 2 0 0 0 0 38 43 2 0 0 0 0 M END > (COL-00028) COL-00028 > (COL-00028) x > (COL-00028) x > (COL-00028) S-Trityl-L-cysteine, N-FMOC protected > (COL-00028) 103213-32-7 > (COL-00028) MFCD00038538 > (COL-00028) 1g > (COL-00028) 10g > (COL-00028) $53.00 > (COL-00028) $264.00 > (COL-00028) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -4.6083 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.4917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 5 3 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 7 6 1 0 0 0 0 M END > (COL-00030) COL-00030 > (COL-00030) x > (COL-00030) x > (COL-00030) 5-Bromopyrimidine-2-carbonitrile > (COL-00030) 38275-57-9 > (COL-00030) MFCD02940446 > (COL-00030) 1g > (COL-00030) 5g > (COL-00030) 10g > (COL-00030) $74.00 > (COL-00030) $289.00 > (COL-00030) $479.00 > (COL-00030) >98% $$$$ -ISIS- 02091117132D 15 17 0 0 0 0 0 0 0 0999 V2000 7.8417 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 1.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 1.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 0.2375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6958 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9583 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0958 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 12 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 8 2 0 0 0 0 15 14 1 0 0 0 0 6 4 1 0 0 0 0 7 11 1 0 0 0 0 15 13 2 0 0 0 0 M END > (COL-00031) COL-00031 > (COL-00031) 3-Piperazin-1-yl-benzo[d]isothiazole > (COL-00031) 144010-02-6 > (COL-00031) MFCD04117970 > (COL-00031) 5g > (COL-00031) 25g > (COL-00031) $98.00 > (COL-00031) $239.00 > (COL-00031) >98% $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 -4.5208 1.0083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.8792 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8792 2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2333 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8792 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6417 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2292 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 3.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1625 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -0.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 1 2 0 0 0 0 13 1 2 0 0 0 0 14 11 1 0 0 0 0 15 7 2 0 0 0 0 16 14 2 0 0 0 0 17 6 1 0 0 0 0 18 5 1 0 0 0 0 19 10 1 0 0 0 0 20 16 1 0 0 0 0 21 14 1 0 0 0 0 22 23 1 0 0 0 0 23 21 2 0 0 0 0 3 6 1 0 0 0 0 9 10 1 0 0 0 0 22 20 2 0 0 0 0 M END > (COL-00032) COL-00032 > (COL-00032) x > (COL-00032) x > (COL-00032) x > (COL-00032) 6-Chloro-4-hydroxy-2-methyl-N-pyridin-2-yl-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide > (COL-00032) 70374-39-9 > (COL-00032) MFCD00866163 > (COL-00032) 1g > (COL-00032) 5g > (COL-00032) 25g > (COL-00032) $114.00 > (COL-00032) $439.00 > (COL-00032) $979.00 > (COL-00032) >98% $$$$ -ISIS- 02091117132D 10 11 0 0 0 0 0 0 0 0999 V2000 -5.0833 1.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 4 5 1 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00033) COL-00033 > (COL-00033) 2,3-Dihydropyrido[2,3-d][1,3]oxazol-2-one > (COL-00033) 60832-72-6 > (COL-00033) MFCD00204215 > (COL-00033) 1g > (COL-00033) 5g > (COL-00033) 10g > (COL-00033) $66.00 > (COL-00033) $149.00 > (COL-00033) $274.00 > (COL-00033) >98% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 8.1625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4750 3.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1500 16.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5333 16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 11.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7208 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 11.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5167 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -8.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 10 2 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 1 1 0 0 0 0 13 12 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00035) COL-00035 > (COL-00035) x > (COL-00035) 4-Formylphenyl propionate > (COL-00035) 50262-48-1 > (COL-00035) MFCD00043522 > (COL-00035) 10g > (COL-00035) 25g > (COL-00035) $54.00 > (COL-00035) $220.00 > (COL-00035) >97% $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 -3.9583 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.0083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00037) COL-00037 > (COL-00037) x > (COL-00037) Dimethyl 2,3-dibromosuccinate > (COL-00037) 1186-98-7 > (COL-00037) MFCD00077961 > (COL-00037) 5g > (COL-00037) 25g > (COL-00037) $54.00 > (COL-00037) $234.00 > (COL-00037) >98% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 8 3 2 0 0 0 0 14 15 2 0 0 0 0 M END > (COL-00038) COL-00038 > (COL-00038) x > (COL-00038) 4-Biphenylcarboxylic acid > (COL-00038) 92-92-2 > (COL-00038) MFCD00002553 > (COL-00038) 1g > (COL-00038) 5g > (COL-00038) 10g > (COL-00038) $12.00 > (COL-00038) $37.00 > (COL-00038) $79.00 > (COL-00038) >96% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 -4.0375 11.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 9.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7042 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 8 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 7 4 1 0 0 0 0 M END > (COL-00039) COL-00039 > (COL-00039) x > (COL-00039) 4-(Hexyloxy)benzaldehyde > (COL-00039) 5736-94-7 > (COL-00039) MFCD00016615 > (COL-00039) 5g > (COL-00039) 10g > (COL-00039) $34.00 > (COL-00039) $54.00 > (COL-00039) >98% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 -3.7833 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7500 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 4 3 1 0 0 0 0 7 9 2 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00040) COL-00040 > (COL-00040) x > (COL-00040) 5-Chloro-3-phenylbenzo[c]isoxazole > (COL-00040) 719-64-2 > (COL-00040) MFCD00014573 > (COL-00040) 10g > (COL-00040) $20.00 > (COL-00040) >98% $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 -2.6583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.3583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0083 2.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5583 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 11 2 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 8 6 2 0 0 0 0 M END > (COL-00041) COL-00041 > (COL-00041) x > (COL-00041) x > (COL-00041) 3,5-Di-(tert-butyl)-4-hydroxybenzaldehyde > (COL-00041) 1620-98-0 > (COL-00041) MFCD00008826 > (COL-00041) 5g > (COL-00041) $14.00 > (COL-00041) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.4667 -4.2125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4667 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -4.6250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1792 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 10 2 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 3 1 0 0 0 0 11 7 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00042) COL-00042 > (COL-00042) x > (COL-00042) x > (COL-00042) 4-Hydroxy-3-nitrobenzaldehyde > (COL-00042) 3011-34-5 > (COL-00042) MFCD00007117 > (COL-00042) 10g > (COL-00042) $50.00 > (COL-00042) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -15.2250 12.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -13.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -13.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5000 12.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5750 7.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8417 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -7.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -7.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 9 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 10 6 1 0 0 0 0 M END > (COL-00043) COL-00043 > (COL-00043) x > (COL-00043) 4-(Allyloxy)benzaldehyde > (COL-00043) 40663-68-1 > (COL-00043) MFCD00014133 > (COL-00043) 5g > (COL-00043) $29.00 > (COL-00043) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 4.8042 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0167 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.7000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 4.2000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 11 13 2 0 0 0 0 M END > (COL-00044) COL-00044 > (COL-00044) x > (COL-00044) x > (COL-00044) 2,3-Dibromo-3-phenylpropanoic acid > (COL-00044) 6286-30-2 > (COL-00044) MFCD00004208 > (COL-00044) 5g > (COL-00044) $22.00 > (COL-00044) >95% $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 5.2000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 8 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 7 4 1 0 0 0 0 M END > (COL-00046) COL-00046 > (COL-00046) x > (COL-00046) 4-(Octyloxy)benzaldehyde > (COL-00046) 24083-13-4 > (COL-00046) MFCD00014136 > (COL-00046) 5g > (COL-00046) $36.00 > (COL-00046) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.6583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 2 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 4 8 2 0 0 0 0 M END > (COL-00047) COL-00047 > (COL-00047) x > (COL-00047) 3-Methoxy-4-methylbenzaldehyde > (COL-00047) 24973-22-6 > (COL-00047) MFCD04114050 > (COL-00047) 1g > (COL-00047) $43.00 > (COL-00047) >98% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.2958 0.2500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8625 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2958 -0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.2500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 10 2 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 2 3 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (COL-00049) COL-00049 > (COL-00049) x > (COL-00049) Methyl 2-bromo-4-nitrobenzoate > (COL-00049) 100959-22-6 > (COL-00049) MFCD07779271 > (COL-00049) 1g > (COL-00049) $59.00 > (COL-00049) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.0083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00050) COL-00050 > (COL-00050) x > (COL-00050) x > (COL-00050) x > (COL-00050) 2-Amino-6-bromophenol > (COL-00050) 28165-50-6 > (COL-00050) MFCD08277300 > (COL-00050) 5g > (COL-00050) $84.00 > (COL-00050) >96% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -3.3083 2.8750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 8 12 2 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00051) COL-00051 > (COL-00051) x > (COL-00051) N,N-Dimethyl-2-nitroaniline > (COL-00051) 610-17-3 > (COL-00051) MFCD00043602 > (COL-00051) 5g > (COL-00051) $124.00 > (COL-00051) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.2583 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 2 5 1 0 0 0 0 M END > (COL-00052) COL-00052 > (COL-00052) x > (COL-00052) 2,5-Diiodo-1,4-dimethoxybenzene > (COL-00052) 51560-21-5 > (COL-00052) MFCD00461369 > (COL-00052) 1g > (COL-00052) 5g > (COL-00052) 10g > (COL-00052) $70.00 > (COL-00052) $166.00 > (COL-00052) $318.00 > (COL-00052) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -2.4625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -0.5167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.5167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 6 2 2 0 0 0 0 M END > (COL-00053) COL-00053 > (COL-00053) x > (COL-00053) x > (COL-00053) 3,5-Dibromoaniline > (COL-00053) 626-40-4 > (COL-00053) MFCD00047841 > (COL-00053) 1g > (COL-00053) 5g > (COL-00053) 25g > (COL-00053) $70.00 > (COL-00053) $267.00 > (COL-00053) $497.00 > (COL-00053) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -3.3083 1.7583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 7 2 1 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-00054) COL-00054 > (COL-00054) 1-Phenylpiperazine > (COL-00054) 2759-28-6 > (COL-00054) MFCD00005957 > (COL-00054) 5g > (COL-00054) 10g > (COL-00054) $10.00 > (COL-00054) $17.00 > (COL-00054) >98% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.3583 2.5000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 14 2 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 4 12 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (COL-00055) COL-00055 > (COL-00055) x > (COL-00055) 2-Methyl-3-nitrophenylacetic acid > (COL-00055) 23876-15-5 > (COL-00055) MFCD07782132 > (COL-00055) 1g > (COL-00055) 5g > (COL-00055) 25g > (COL-00055) $21.00 > (COL-00055) $40.00 > (COL-00055) $155.00 > (COL-00055) >98% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 3.6375 -1.8417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5542 -3.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -3.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2125 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 9 1 6 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 11 1 0 0 0 0 13 10 2 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 14 13 1 0 0 0 0 2 6 1 0 0 0 0 M END > (COL-00056) COL-00056 > (COL-00056) x > (COL-00056) (2S)-Oxiran-2-ylmethyl 4-methylbenzenesulphonate > (COL-00056) 70987-78-9 > (COL-00056) MFCD00064489 > (COL-00056) 1g > (COL-00056) 10g > (COL-00056) $74.00 > (COL-00056) $347.00 > (COL-00056) >98% $$$$ -ISIS- 02091117132D 6 6 0 0 0 0 0 0 0 0999 V2000 2.4125 1.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 0.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9792 -0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 4 1 1 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 3 2 1 0 0 0 0 M END > (COL-00057) COL-00057 > (COL-00057) x > (COL-00057) (R)-3-Hydroxypyrrolidine > (COL-00057) 2799-21-5 > (COL-00057) MFCD00145220 > (COL-00057) 1g > (COL-00057) 5g > (COL-00057) $54.00 > (COL-00057) $174.00 > (COL-00057) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 1.2042 1.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.4000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 7 4 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (COL-00058) COL-00058 > (COL-00058) x > (COL-00058) x > (COL-00058) 2-Bromo-4-nitrophenol > (COL-00058) 5847-59-6 > (COL-00058) MFCD06656567 > (COL-00058) 1g > (COL-00058) 5g > (COL-00058) $80.00 > (COL-00058) $274.00 > (COL-00058) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.5375 -1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 9 1 0 0 0 0 8 7 2 0 0 0 0 9 5 2 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00059) COL-00059 > (COL-00059) x > (COL-00059) x > (COL-00059) 3-Fluorobenzaldehyde > (COL-00059) 456-48-4 > (COL-00059) MFCD00003348 > (COL-00059) 1g > (COL-00059) $30.00 > (COL-00059) >97% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -11.4042 0.2208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -6.8125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4042 4.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4042 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0000 0.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -7.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 8.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 -11.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 8.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 2 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 9 10 1 0 0 0 0 M END > (COL-00060) COL-00060 > (COL-00060) x > (COL-00060) 2,5-Dimethoxybenzenesulfonyl chloride > (COL-00060) 1483-28-9 > (COL-00060) MFCD00024872 > (COL-00060) 5g > (COL-00060) $14.00 > (COL-00060) >97% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2417 0.6333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5917 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8917 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 9 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 11 19 2 0 0 0 0 12 15 2 0 0 0 0 13 12 1 0 0 0 0 14 5 2 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 12 14 1 0 0 0 0 11 18 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00061) COL-00061 > (COL-00061) x > (COL-00061) 4-(4-Nitrobenzyloxy)benzaldehyde > (COL-00061) 67565-48-4 > (COL-00061) MFCD00017041 > (COL-00061) 5g > (COL-00061) $14.00 > (COL-00061) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 6.0542 2.8000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 4.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 3.5083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 10 9 1 0 0 0 0 M END > (COL-00062) COL-00062 > (COL-00062) x > (COL-00062) x > (COL-00062) 4-(Bromomethyl)benzenesulfonyl chloride > (COL-00062) 66176-39-4 > (COL-00062) MFCD00156129 > (COL-00062) 1g > (COL-00062) 5g > (COL-00062) $18.00 > (COL-00062) $34.00 > (COL-00062) >97% $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 -4.6083 1.1083 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5917 2.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.3583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.0083 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.9583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 2.9833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 14 1 0 0 0 0 6 11 1 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 1 2 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 15 4 1 0 0 0 0 16 2 1 0 0 0 0 17 2 1 0 0 0 0 18 2 1 0 0 0 0 19 15 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 12 1 0 0 0 0 4 5 2 0 0 0 0 20 6 2 0 0 0 0 M CHG 2 1 1 8 -1 M END > (COL-00063) COL-00063 > (COL-00063) x > (COL-00063) x > (COL-00063) 2-[3-(Trifluoromethyl)phenoxy]-5-nitrobenzaldehyde > (COL-00063) MFCD03001331 > (COL-00063) 5g > (COL-00063) $53.00 > (COL-00063) >96% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.0083 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.5083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -1.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 -1.2417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 7 8 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 1 2 0 0 0 0 13 18 2 0 0 0 0 14 17 2 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 5 11 2 0 0 0 0 4 10 2 0 0 0 0 M END > (COL-00064) COL-00064 > (COL-00064) x > (COL-00064) x > (COL-00064) 1,3-Bis(3,4-dichlorophenyl)urea > (COL-00064) 4300-43-0 > (COL-00064) MFCD00171464 > (COL-00064) 5g > (COL-00064) 10g > (COL-00064) $78.00 > (COL-00064) $158.00 > (COL-00064) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -4.2708 2.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.4750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9250 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.8500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 2 2 0 0 0 0 13 3 2 0 0 0 0 14 9 2 0 0 0 0 6 5 2 0 0 0 0 8 14 1 0 0 0 0 M CHG 2 4 1 10 -1 M END > (COL-00066) COL-00066 > (COL-00066) x > (COL-00066) 4-Nitrophthalimide > (COL-00066) 89-40-7 > (COL-00066) MFCD00005884 > (COL-00066) 5g > (COL-00066) $20.00 > (COL-00066) >99% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -11.3917 -1.4500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -6.7917 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3917 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3917 -6.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0000 -1.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -5.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 14 5 1 0 0 0 0 10 6 2 0 0 0 0 M END > (COL-00067) COL-00067 > (COL-00067) x > (COL-00067) 4-tert-Butylbenzenesulfonyl chloride > (COL-00067) 15084-51-2 > (COL-00067) MFCD00007449 > (COL-00067) 1g > (COL-00067) $13.00 > (COL-00067) >97% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 10.9875 -8.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -7.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6250 -8.7542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -8.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 4 7 2 0 0 0 0 M END > (COL-00069) COL-00069 > (COL-00069) x > (COL-00069) x > (COL-00069) 4-Amino-2-chloropyrimidine > (COL-00069) 7461-50-9 > (COL-00069) MFCD00194051 > (COL-00069) 1g > (COL-00069) 5g > (COL-00069) 10g > (COL-00069) $34.00 > (COL-00069) $149.00 > (COL-00069) $219.00 > (COL-00069) >97% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 6.0542 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 3 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 11 13 2 0 0 0 0 M END > (COL-00071) COL-00071 > (COL-00071) x > (COL-00071) x > (COL-00071) x > (COL-00071) 2-(4-Fluorobenzoyl)-3-(dimethylamino)acrylonitrile > (COL-00071) 52200-15-4 > (COL-00071) MFCD03453098 > (COL-00071) 1g > (COL-00071) $59.00 > (COL-00071) >98% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00072) COL-00072 > (COL-00072) 2-Methylpiperazine, N4-BOC protected > (COL-00072) 120737-59-9 > (COL-00072) MFCD03001706 > (COL-00072) 1g > (COL-00072) 5g > (COL-00072) $34.00 > (COL-00072) $122.00 > (COL-00072) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -3.8583 2.6083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.6083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 2.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9833 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0458 2.6083 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 6 4 1 0 0 0 0 M END > (COL-00073) COL-00073 > (COL-00073) x > (COL-00073) 3-Iodoazetidine, N-BOC protected > (COL-00073) 254454-54-1 > (COL-00073) MFCD09752821 > (COL-00073) 1g > (COL-00073) $144.00 > (COL-00073) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 7 6 2 0 0 0 0 M END > (COL-00074) COL-00074 > (COL-00074) 1,2,3,6-Tetrahydropyridine, N-BOC protected > (COL-00074) 85838-94-4 > (COL-00074) MFCD04972245 > (COL-00074) 1g > (COL-00074) 5g > (COL-00074) 10g > (COL-00074) $59.00 > (COL-00074) $239.00 > (COL-00074) $479.00 > (COL-00074) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 2.4250 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 8 5 2 0 0 0 0 M END > (COL-00075) COL-00075 > (COL-00075) x > (COL-00075) x > (COL-00075) x > (COL-00075) 4-Amino-3-fluorophenol > (COL-00075) 399-95-1 > (COL-00075) MFCD00077452 > (COL-00075) 500mg > (COL-00075) 1g > (COL-00075) 5g > (COL-00075) $14.00 > (COL-00075) $21.00 > (COL-00075) $72.00 > (COL-00075) >96% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 1.7042 -0.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2250 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 13 12 1 0 0 0 0 18 16 2 0 0 0 0 M END > (COL-00076) COL-00076 > (COL-00076) x > (COL-00076) D-Proline, N-CBZ protected > (COL-00076) 1148-11-4 > (COL-00076) MFCD00063229 > (COL-00076) 1g > (COL-00076) 5g > (COL-00076) $14.00 > (COL-00076) $34.00 > (COL-00076) >96% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 2.1792 2.0083 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 2.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00077) COL-00077 > (COL-00077) x > (COL-00077) 4-n-Pentylbenzeneboronic acid > (COL-00077) 121219-12-3 > (COL-00077) MFCD00995151 > (COL-00077) 250mg > (COL-00077) 1g > (COL-00077) 5g > (COL-00077) $45.00 > (COL-00077) $70.00 > (COL-00077) $249.00 > (COL-00077) >96% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 2.7917 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -0.6250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.4583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 5 3 2 0 0 0 0 M END > (COL-00078) COL-00078 > (COL-00078) x > (COL-00078) x > (COL-00078) 3-Bromo-4-chlorobenzoic acid > (COL-00078) 42860-10-6 > (COL-00078) MFCD00079706 > (COL-00078) 1g > (COL-00078) 5g > (COL-00078) $26.00 > (COL-00078) $72.00 > (COL-00078) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 2.4167 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 3 4 2 0 0 0 0 M END > (COL-00079) COL-00079 > (COL-00079) x > (COL-00079) 3,5-Dibromo-2-fluoropyridine > (COL-00079) 473596-07-5 > (COL-00079) MFCD07368619 > (COL-00079) 1g > (COL-00079) 5g > (COL-00079) $27.00 > (COL-00079) $88.00 > (COL-00079) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 1.2042 4.2000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.9000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 12 1 0 0 0 0 13 6 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (COL-00080) COL-00080 > (COL-00080) x > (COL-00080) x > (COL-00080) 2-Fluoro-6-nitrobenzoic acid > (COL-00080) 385-02-4 > (COL-00080) MFCD01862079 > (COL-00080) 1g > (COL-00080) 5g > (COL-00080) $38.00 > (COL-00080) $154.00 > (COL-00080) >97% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00081) COL-00081 > (COL-00081) x > (COL-00081) 3-Bromo-4-chloropyridine > (COL-00081) 36953-42-1 > (COL-00081) MFCD00234008 > (COL-00081) 1g > (COL-00081) 5g > (COL-00081) 10g > (COL-00081) $34.00 > (COL-00081) $141.00 > (COL-00081) $364.00 > (COL-00081) >96% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -0.1167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 6 4 2 0 0 0 0 M END > (COL-00082) COL-00082 > (COL-00082) x > (COL-00082) 5-Bromo-2-ethoxypyrimidine > (COL-00082) 17758-11-1 > (COL-00082) MFCD07375135 > (COL-00082) 1g > (COL-00082) 5g > (COL-00082) 25g > (COL-00082) $59.00 > (COL-00082) $239.00 > (COL-00082) $959.00 > (COL-00082) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 6 10 2 0 0 0 0 M END > (COL-00083) COL-00083 > (COL-00083) x > (COL-00083) x > (COL-00083) x > (COL-00083) 2-Chloro-5-hydroxybenzoic acid > (COL-00083) 56961-30-9 > (COL-00083) MFCD04038818 > (COL-00083) 250mg > (COL-00083) 1g > (COL-00083) $82.00 > (COL-00083) $142.00 > (COL-00083) >98% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 4.1500 0.9042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7250 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 1.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8625 0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 2.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 6 11 2 0 0 0 0 M CHG 2 1 1 7 -1 M END > (COL-00084) COL-00084 > (COL-00084) Methyl 4-methoxy-2-nitrobenzoate > (COL-00084) 181871-73-8 > (COL-00084) MFCD06658482 > (COL-00084) 1g > (COL-00084) 5g > (COL-00084) $119.00 > (COL-00084) $479.00 > (COL-00084) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -3.9583 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.7583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 3 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 8 5 2 0 0 0 0 M END > (COL-00086) COL-00086 > (COL-00086) x > (COL-00086) x > (COL-00086) 2-Chloro-4-methylbenzonitrile 98% > (COL-00086) 21423-84-7 > (COL-00086) MFCD03094672 > (COL-00086) 5g > (COL-00086) 25g > (COL-00086) $142.00 > (COL-00086) $574.00 > (COL-00086) >98% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -5.2500 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 3 0 0 0 0 4 9 1 0 0 0 0 5 2 1 0 0 0 0 6 8 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 7 1 0 0 0 0 2 4 2 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00087) COL-00087 > (COL-00087) x > (COL-00087) 2,3-Dihydro-1,4-benzodioxine-6-carbonitrile > (COL-00087) 19102-07-9 > (COL-00087) MFCD00221462 > (COL-00087) 1g > (COL-00087) 5g > (COL-00087) 25g > (COL-00087) $71.00 > (COL-00087) $286.00 > (COL-00087) $1132.00 > (COL-00087) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.7083 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 8 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 7 4 2 0 0 0 0 M END > (COL-00088) COL-00088 > (COL-00088) x > (COL-00088) 4-Ethoxybenzaldehyde > (COL-00088) 10031-82-0 > (COL-00088) MFCD00003388 > (COL-00088) 25g > (COL-00088) $15.00 > (COL-00088) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -14.8375 12.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 12.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5875 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 5 9 1 0 0 0 0 M END > (COL-00089) COL-00089 > (COL-00089) x > (COL-00089) 3-Ethoxybenzaldehyde > (COL-00089) 22924-15-8 > (COL-00089) MFCD00016606 > (COL-00089) 5g > (COL-00089) 25g > (COL-00089) $28.00 > (COL-00089) $120.00 > (COL-00089) >98% $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 6.1125 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -2.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -1.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8292 -3.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 -4.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.0333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 8 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 3 2 0 0 0 0 14 12 1 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 7 9 1 0 0 0 0 17 15 1 0 0 0 0 M END > (COL-00090) COL-00090 > (COL-00090) x > (COL-00090) x > (COL-00090) x > (COL-00090) 3-Hydroxy-2-(quinazolin-4-ylamino)propionicacid hydrochloride > (COL-00090) MFCD01909994 > (COL-00090) 500mg > (COL-00090) $159.00 > (COL-00090) >95% $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 3.1917 4.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 3.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4042 2.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 8.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 7.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 16 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 14 1 0 0 0 0 19 10 2 0 0 0 0 20 22 1 0 0 0 0 21 19 1 0 0 0 0 22 9 2 0 0 0 0 4 5 1 0 0 0 0 11 21 2 0 0 0 0 12 20 2 0 0 0 0 M END > (COL-00091) COL-00091 > (COL-00091) x > (COL-00091) x > (COL-00091) 3-(3-Carbazol-9-yl-2-hydroxypropylamino)-propan-1-ol > (COL-00091) 324773-66-2 > (COL-00091) MFCD01541489 > (COL-00091) 500mg > (COL-00091) 1g > (COL-00091) 5g > (COL-00091) $159.00 > (COL-00091) $223.00 > (COL-00091) $795.00 > (COL-00091) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 3.6625 2.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6625 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 3 6 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-00092) COL-00092 > (COL-00092) x > (COL-00092) 2-Amino-5-methyl-4H-[1,2,4]triazolo[1,5-a]-pyrimidin-7-one > (COL-00092) MFCD00227182 > (COL-00092) 500mg > (COL-00092) 1g > (COL-00092) 5g > (COL-00092) $159.00 > (COL-00092) $299.00 > (COL-00092) $592.00 > (COL-00092) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.8333 -0.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9208 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 3 2 0 0 0 0 15 5 2 0 0 0 0 16 17 2 0 0 0 0 17 15 1 0 0 0 0 11 13 1 0 0 0 0 14 16 1 0 0 0 0 M END > (COL-00093) COL-00093 > (COL-00093) x > (COL-00093) 2-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzaldehyde > (COL-00093) MFCD08282691 > (COL-00093) 500mg > (COL-00093) 1g > (COL-00093) 5g > (COL-00093) $172.00 > (COL-00093) $299.00 > (COL-00093) $592.00 > (COL-00093) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 10.6417 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 3.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 1.7083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 2.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2125 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 1 1 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 4 6 2 0 0 0 0 7 12 1 0 0 0 0 M END > (COL-00094) COL-00094 > (COL-00094) x > (COL-00094) x > (COL-00094) 2-Aminobenzothiazole-6-carboxylic acidsec-butylamide > (COL-00094) 320740-71-4 > (COL-00094) MFCD00608307 > (COL-00094) 500mg > (COL-00094) 1g > (COL-00094) 5g > (COL-00094) $159.00 > (COL-00094) $318.00 > (COL-00094) $919.00 > (COL-00094) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 11.1125 -3.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 -3.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -3.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4042 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1125 -2.4625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5375 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 8 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 11 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (COL-00095) COL-00095 > (COL-00095) x > (COL-00095) 2-(2-Carboxyethyl)thio-4,6-dimethylpyrimidine > (COL-00095) MFCD00457968 > (COL-00095) 1g > (COL-00095) 5g > (COL-00095) 10g > (COL-00095) $164.00 > (COL-00095) $426.00 > (COL-00095) $709.00 > (COL-00095) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 0.2042 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.0583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 16 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 6 5 2 0 0 0 0 15 9 1 0 0 0 0 M END > (COL-00096) COL-00096 > (COL-00096) x > (COL-00096) 2,5-Dimethoxy-4-morpholin-4-yl-benzaldehyde > (COL-00096) MFCD06740113 > (COL-00096) 500mg > (COL-00096) 1g > (COL-00096) 5g > (COL-00096) $172.00 > (COL-00096) $344.00 > (COL-00096) $949.00 > (COL-00096) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.1458 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -0.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 1.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 9 2 0 0 0 0 7 3 1 0 0 0 0 8 10 1 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 8 5 2 0 0 0 0 13 14 1 0 0 0 0 M END > (COL-00097) COL-00097 > (COL-00097) x > (COL-00097) x > (COL-00097) 3-Fluoro-4-pyrrolidin-1-yl-benzaldehyde > (COL-00097) MFCD05237677 > (COL-00097) 500mg > (COL-00097) 1g > (COL-00097) 5g > (COL-00097) $189.00 > (COL-00097) $321.00 > (COL-00097) $844.00 > (COL-00097) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 1.8500 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9167 -0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 9 2 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 13 2 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 6 1 0 0 0 0 16 15 1 0 0 0 0 14 10 1 0 0 0 0 3 8 1 0 0 0 0 M END > (COL-00098) COL-00098 > (COL-00098) x > (COL-00098) 3-Imidazol-1-ylmethyl-4-methoxy-benzaldehyde > (COL-00098) MFCD06801633 > (COL-00098) 500mg > (COL-00098) $172.00 > (COL-00098) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 3.4375 3.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3042 4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0750 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2875 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 7 1 0 0 0 0 14 17 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 16 1 0 0 0 0 18 10 2 0 0 0 0 19 9 2 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 4 5 1 0 0 0 0 11 20 2 0 0 0 0 21 12 2 0 0 0 0 M END > (COL-00099) COL-00099 > (COL-00099) x > (COL-00099) x > (COL-00099) 1-Carbazol-9-yl-3-(2-hydroxy-ethylamino)-propan-2-ol > (COL-00099) MFCD00536877 > (COL-00099) 500mg > (COL-00099) 1g > (COL-00099) 5g > (COL-00099) $159.00 > (COL-00099) $318.00 > (COL-00099) $1,249.00 > (COL-00099) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 6.1792 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 10 6 1 0 0 0 0 16 18 1 0 0 0 0 M END > (COL-00100) COL-00100 > (COL-00100) x > (COL-00100) 4-Ethoxy-3-piperidin-1-ylmethyl-benzaldehyde > (COL-00100) MFCD03045304 > (COL-00100) 500mg > (COL-00100) 1g > (COL-00100) 5g > (COL-00100) $164.00 > (COL-00100) $328.00 > (COL-00100) $1,249.00 > (COL-00100) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 4.2000 3.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 6.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 5 6 1 0 0 0 0 15 12 2 0 0 0 0 M END > (COL-00101) COL-00101 > (COL-00101) x > (COL-00101) 1-(2-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde > (COL-00101) 169036-73-1 > (COL-00101) MFCD02664905 > (COL-00101) 500mg > (COL-00101) 1g > (COL-00101) 5g > (COL-00101) $172.00 > (COL-00101) $299.00 > (COL-00101) $592.00 > (COL-00101) >95% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 9.6917 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 5.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 15 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 7 12 2 0 0 0 0 M END > (COL-00102) COL-00102 > (COL-00102) x > (COL-00102) x > (COL-00102) x > (COL-00102) x > (COL-00102) 4-(3-Chloro-2-hydroxypropylamino)benzoic acid > (COL-00102) 39083-58-4 > (COL-00102) MFCD02042294 > (COL-00102) 500mg > (COL-00102) 1g > (COL-00102) 5g > (COL-00102) $159.00 > (COL-00102) $318.00 > (COL-00102) $1,249.00 > (COL-00102) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 2.2542 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 2.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.0333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 9 10 1 0 0 0 0 M END > (COL-00103) COL-00103 > (COL-00103) x > (COL-00103) (4,5-Dihydro-1H-imidazol-2-ylsulfanyl)acetic acid > (COL-00103) MFCD00457419 > (COL-00103) 500mg > (COL-00103) 1g > (COL-00103) 5g > (COL-00103) $159.00 > (COL-00103) $318.00 > (COL-00103) $1,249.00 > (COL-00103) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 6.5583 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -1.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -3.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7958 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 5 4 2 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-00104) COL-00104 > (COL-00104) x > (COL-00104) x > (COL-00104) 3-Chloro-1H-indole-2-carbaldehyde > (COL-00104) 110912-15-7 > (COL-00104) MFCD03828574 > (COL-00104) 500mg > (COL-00104) 1g > (COL-00104) 5g > (COL-00104) $174.00 > (COL-00104) $348.00 > (COL-00104) $1,249.00 > (COL-00104) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 3.6500 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 2.8333 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 8 6 2 0 0 0 0 M END > (COL-00105) COL-00105 > (COL-00105) x > (COL-00105) 2-Bromo-1-(2-methoxy-5-methyl-phenyl)-ethanone > (COL-00105) MFCD03425173 > (COL-00105) 500mg > (COL-00105) 1g > (COL-00105) 5g > (COL-00105) $172.00 > (COL-00105) $321.00 > (COL-00105) $844.00 > (COL-00105) >95% $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 8.4750 1.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 3.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.4083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 3.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8792 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 5.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0917 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6292 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 4 2 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00106) COL-00106 > (COL-00106) x > (COL-00106) x > (COL-00106) N-(2,6-Dimethoxypyrimidin-4-yl)succinamic acid > (COL-00106) MFCD00978708 > (COL-00106) 500mg > (COL-00106) 1g > (COL-00106) 5g > (COL-00106) $159.00 > (COL-00106) $318.00 > (COL-00106) $1,037.00 > (COL-00106) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 6.5250 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -11.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8125 -10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -12.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -11.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -10.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -12.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -9.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -9.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -13.2292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -11.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00107) COL-00107 > (COL-00107) x > (COL-00107) 2-Acetyl-4-chloro-5,5-dimethyl-cyclohexane-1,3-dione > (COL-00107) MFCD00513080 > (COL-00107) 500mg > (COL-00107) 1g > (COL-00107) 5g > (COL-00107) $189.00 > (COL-00107) $378.00 > (COL-00107) $1,249.00 > (COL-00107) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6125 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 2 8 1 0 0 0 0 15 12 1 0 0 0 0 M END > (COL-00108) COL-00108 > (COL-00108) x > (COL-00108) 2-Chloro-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-ethanone > (COL-00108) MFCD07400595 > (COL-00108) 500mg > (COL-00108) 1g > (COL-00108) 5g > (COL-00108) $172.00 > (COL-00108) $344.00 > (COL-00108) $1,065.00 > (COL-00108) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.4417 3.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3292 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 7.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 5 3 1 0 0 0 0 16 10 1 0 0 0 0 M END > (COL-00109) COL-00109 > (COL-00109) x > (COL-00109) x > (COL-00109) 1-(3-Hydroxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00109) 878424-24-9 > (COL-00109) MFCD07186503 > (COL-00109) 500mg > (COL-00109) 1g > (COL-00109) 5g > (COL-00109) $162.00 > (COL-00109) $247.00 > (COL-00109) $493.00 > (COL-00109) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.3292 3.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 1.3833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9625 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 13 1 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 11 2 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 5 6 1 0 0 0 0 7 12 2 0 0 0 0 M END > (COL-00110) COL-00110 > (COL-00110) x > (COL-00110) x > (COL-00110) 1-(4-Dimethylamino-phenyl)-1H-pyrrole-2-carbaldehyde > (COL-00110) MFCD02604636 > (COL-00110) 500mg > (COL-00110) 1g > (COL-00110) 5g > (COL-00110) $172.00 > (COL-00110) $344.00 > (COL-00110) $949.00 > (COL-00110) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 5.9333 -2.9208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4417 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 12 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 6 2 0 0 0 0 13 15 1 0 0 0 0 14 6 1 0 0 0 0 15 14 2 0 0 0 0 3 5 1 0 0 0 0 8 13 2 0 0 0 0 M END > (COL-00111) COL-00111 > (COL-00111) x > (COL-00111) 2,5-Dimethyl-1-pyridin-3-yl-1H-pyrrole-3-carbaldehyde > (COL-00111) 35711-47-8 > (COL-00111) MFCD03031163 > (COL-00111) 500mg > (COL-00111) 1g > (COL-00111) 5g > (COL-00111) $169.00 > (COL-00111) $214.00 > (COL-00111) $592.00 > (COL-00111) >95% $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 2.4667 3.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1625 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 8.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 8.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 9.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 9.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 12 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 14 13 2 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 20 18 2 0 0 0 0 M END > (COL-00112) COL-00112 > (COL-00112) x > (COL-00112) 1-[2-(1H-Indol-3-yl)-ethyl]-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00112) 119636-71-4 > (COL-00112) MFCD00880986 > (COL-00112) 500mg > (COL-00112) 1g > (COL-00112) 5g > (COL-00112) $172.00 > (COL-00112) $344.00 > (COL-00112) $949.00 > (COL-00112) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 6.2000 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8750 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -3.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -3.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 10 2 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 6 4 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00113) COL-00113 > (COL-00113) x > (COL-00113) 1-Pyridin-3-yl-1H-pyrrole-2-carbaldehyde > (COL-00113) 108934-21-0 > (COL-00113) MFCD02664910 > (COL-00113) 500mg > (COL-00113) 1g > (COL-00113) 5g > (COL-00113) $164.00 > (COL-00113) $212.00 > (COL-00113) $577.00 > (COL-00113) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 3.6292 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 5.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 7.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 8.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 19 1 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 12 11 2 0 0 0 0 18 16 2 0 0 0 0 M END > (COL-00114) COL-00114 > (COL-00114) x > (COL-00114) x > (COL-00114) x > (COL-00114) 3-(4-Fluorophenyl)-3-[(furan-2-carbonyl)amino]-propionic acid > (COL-00114) MFCD01366674 > (COL-00114) 500mg > (COL-00114) 1g > (COL-00114) 5g > (COL-00114) $159.00 > (COL-00114) $318.00 > (COL-00114) $1,249.00 > (COL-00114) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 2.4417 4.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3250 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 6.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 6.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 8.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 8.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 6 2 0 0 0 0 13 7 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 5 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (COL-00115) COL-00115 > (COL-00115) x > (COL-00115) 2,5-Dimethyl-1-pyridin-2-yl-1H-pyrrole-3-carbaldehyde > (COL-00115) MFCD04218024 > (COL-00115) 500mg > (COL-00115) 1g > (COL-00115) 5g > (COL-00115) $172.00 > (COL-00115) $299.00 > (COL-00115) $592.00 > (COL-00115) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.4458 -1.8417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 14 1 0 0 0 0 14 10 2 0 0 0 0 15 13 2 0 0 0 0 4 5 1 0 0 0 0 12 15 1 0 0 0 0 M END > (COL-00116) COL-00116 > (COL-00116) x > (COL-00116) 3-(Thiophen-2-ylmethoxy)-benzaldehyde > (COL-00116) MFCD07801183 > (COL-00116) 500mg > (COL-00116) 1g > (COL-00116) 5g > (COL-00116) $172.00 > (COL-00116) $344.00 > (COL-00116) $1,065.00 > (COL-00116) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 1.1292 2.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2542 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 3.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 18 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 15 1 0 0 0 0 8 12 1 0 0 0 0 15 19 2 0 0 0 0 M END > (COL-00117) COL-00117 > (COL-00117) x > (COL-00117) x > (COL-00117) x > (COL-00117) 2-(1,1-Dioxotetrahydro-1lambda6-thiophen-3-yl-amino)-3-(4-hydroxyphenyl)propionic acid > (COL-00117) 415919-39-0 > (COL-00117) MFCD00424270 > (COL-00117) 500mg > (COL-00117) 1g > (COL-00117) 5g > (COL-00117) $159.00 > (COL-00117) $318.00 > (COL-00117) $1,249.00 > (COL-00117) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 6.9000 -3.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2375 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 17 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 11 1 0 0 0 0 18 4 2 0 0 0 0 19 5 2 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 2 5 1 0 0 0 0 19 21 1 0 0 0 0 13 14 2 0 0 0 0 M END > (COL-00118) COL-00118 > (COL-00118) x > (COL-00118) x > (COL-00118) 2-(3-Formyl-indol-1-yl)-N-furan-2-ylmethyl-acetamide > (COL-00118) 347319-95-3 > (COL-00118) MFCD02373744 > (COL-00118) 500mg > (COL-00118) 1g > (COL-00118) 5g > (COL-00118) $159.00 > (COL-00118) $318.00 > (COL-00118) $1,249.00 > (COL-00118) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 4.2167 4.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 5.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6542 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 2.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1125 6.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 5.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 19 1 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 2 5 1 0 0 0 0 21 15 1 0 0 0 0 11 18 1 0 0 0 0 M END > (COL-00119) COL-00119 > (COL-00119) x > (COL-00119) 2-Methyl-1-(2-morpholin-4-yl-2-oxo-ethyl)-1H-indole-3-carbaldehyde > (COL-00119) MFCD03216651 > (COL-00119) 500mg > (COL-00119) 1g > (COL-00119) 5g > (COL-00119) $172.00 > (COL-00119) $344.00 > (COL-00119) $1,249.00 > (COL-00119) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.4000 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.8125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2917 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 3 5 1 0 0 0 0 M END > (COL-00120) COL-00120 > (COL-00120) x > (COL-00120) x > (COL-00120) 2-Dimethylamino-4-ethoxy-thiazole-5-carbaldehyde > (COL-00120) MFCD08687606 > (COL-00120) 500mg > (COL-00120) 1g > (COL-00120) 5g > (COL-00120) $172.00 > (COL-00120) $344.00 > (COL-00120) $1,249.00 > (COL-00120) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.7500 4.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6125 5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3917 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 2.8125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 10 2 0 0 0 0 16 8 1 0 0 0 0 6 7 1 0 0 0 0 8 3 1 0 0 0 0 M END > (COL-00121) COL-00121 > (COL-00121) x > (COL-00121) x > (COL-00121) 1-(3,4-Dichloro-benzyl)-1H-pyrrole-2-carbaldehyde > (COL-00121) MFCD05237191 > (COL-00121) 500mg > (COL-00121) 1g > (COL-00121) 5g > (COL-00121) $168.00 > (COL-00121) $336.00 > (COL-00121) $1,249.00 > (COL-00121) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 1.0542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 5 4 1 0 0 0 0 10 11 2 0 0 0 0 M END > (COL-00122) COL-00122 > (COL-00122) x > (COL-00122) 3,6-Dimethyl-benzofuran-2-carbaldehyde > (COL-00122) 16820-39-6 > (COL-00122) MFCD06496261 > (COL-00122) 500mg > (COL-00122) 1g > (COL-00122) 5g > (COL-00122) $189.00 > (COL-00122) $378.00 > (COL-00122) $1,249.00 > (COL-00122) >95% $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 9.1250 2.1958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.8250 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 2.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1875 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 4.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4917 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7375 1.2458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0542 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 4 2 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 19 17 1 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-00123) COL-00123 > (COL-00123) x > (COL-00123) 3-Methoxy-4-[2-(4-methyl-piperidin-1-yl)-2-oxo-ethoxy]-benzaldehyde > (COL-00123) MFCD06621395 > (COL-00123) 500mg > (COL-00123) 1g > (COL-00123) 5g > (COL-00123) $172.00 > (COL-00123) $344.00 > (COL-00123) $1,249.00 > (COL-00123) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 1.0917 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 5 3 1 0 0 0 0 8 11 1 0 0 0 0 M END > (COL-00124) COL-00124 > (COL-00124) x > (COL-00124) 2,5-Dimethyl-1H-indole-3-carbaldehyde > (COL-00124) 61364-25-8 > (COL-00124) MFCD06800613 > (COL-00124) 500mg > (COL-00124) 1g > (COL-00124) 5g > (COL-00124) $170.00 > (COL-00124) $284.00 > (COL-00124) $1,249.00 > (COL-00124) >95% $$$$ -ISIS- 02091117132D 26 29 0 0 0 0 0 0 0 0999 V2000 5.3292 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 3.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 6.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 7.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3417 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 7.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 7.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 8 2 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 8 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 12 2 0 0 0 0 19 10 1 0 0 0 0 20 15 2 0 0 0 0 21 5 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 9 1 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 6 7 1 0 0 0 0 24 26 2 0 0 0 0 11 16 2 0 0 0 0 13 17 2 0 0 0 0 M END > (COL-00125) COL-00125 > (COL-00125) x > (COL-00125) x > (COL-00125) 2-(3,7-Dihydroxy-dibenzo[b,f][1,4]oxazepin-11-yl)-benzoic acid > (COL-00125) MFCD01366855 > (COL-00125) 500mg > (COL-00125) 1g > (COL-00125) 5g > (COL-00125) $159.00 > (COL-00125) $318.00 > (COL-00125) $1,249.00 > (COL-00125) >95% $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 5.8750 2.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 3.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 6.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7792 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 4.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 9 14 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 11 2 0 0 0 0 16 2 1 0 0 0 0 17 4 1 0 0 0 0 18 19 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 6 3 1 0 0 0 0 9 8 2 0 0 0 0 18 20 1 0 0 0 0 M END > (COL-00126) COL-00126 > (COL-00126) x > (COL-00126) 1-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00126) MFCD06753254 > (COL-00126) 500mg > (COL-00126) 1g > (COL-00126) 5g > (COL-00126) $172.00 > (COL-00126) $344.00 > (COL-00126) $1,037.00 > (COL-00126) >95% $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 3.3114 -2.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -3.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7435 -1.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0991 -3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -2.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1405 -2.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 -3.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4995 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7903 -2.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 -2.3906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6193 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 -2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3889 -3.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 -3.8969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0429 -3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0207 -1.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8720 -3.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8497 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 11 2 0 0 0 0 9 14 1 0 0 0 0 10 6 2 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 19 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 4 5 1 0 0 0 0 7 15 2 0 0 0 0 18 13 2 0 0 0 0 M END > (COL-00127) COL-00127 > (COL-00127) x > (COL-00127) 4-(Benzo[1,3]dioxol-5-ylmethoxy)-benzaldehyde > (COL-00127) MFCD06253776 > (COL-00127) 500mg > (COL-00127) 1g > (COL-00127) 5g > (COL-00127) $172.00 > (COL-00127) $344.00 > (COL-00127) $949.00 > (COL-00127) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.4833 -1.7792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2708 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 14 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 2 2 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 5 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 5 8 1 0 0 0 0 17 15 1 0 0 0 0 M END > (COL-00128) COL-00128 > (COL-00128) x > (COL-00128) 5-(2,3-Dihydroindol-1-yl)-5-oxo-pentanoic acid > (COL-00128) MFCD00561100 > (COL-00128) 500mg > (COL-00128) 1g > (COL-00128) 5g > (COL-00128) $159.00 > (COL-00128) $318.00 > (COL-00128) $844.00 > (COL-00128) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.5167 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0000 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 13 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 4 2 1 0 0 0 0 9 12 1 0 0 0 0 M END > (COL-00129) COL-00129 > (COL-00129) x > (COL-00129) 1-Propyl-1H-indole-3-carbaldehyde > (COL-00129) MFCD03905843 > (COL-00129) 500mg > (COL-00129) 1g > (COL-00129) 5g > (COL-00129) $170.00 > (COL-00129) $340.00 > (COL-00129) $1,249.00 > (COL-00129) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 2.7667 6.3292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 2.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 10 1 0 0 0 0 4 5 1 0 0 0 0 8 12 2 0 0 0 0 M END > (COL-00130) COL-00130 > (COL-00130) x > (COL-00130) x > (COL-00130) 1-[2-(4-Chloro-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde > (COL-00130) MFCD05237190 > (COL-00130) 500mg > (COL-00130) 1g > (COL-00130) 5g > (COL-00130) $168.00 > (COL-00130) $336.00 > (COL-00130) $1,249.00 > (COL-00130) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.3167 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 2 5 2 0 0 0 0 9 13 1 0 0 0 0 M END > (COL-00131) COL-00131 > (COL-00131) x > (COL-00131) 2-Methoxy-7-methyl-quinoline-3-carbaldehyde > (COL-00131) MFCD06800933 > (COL-00131) 500mg > (COL-00131) 1g > (COL-00131) 5g > (COL-00131) $170.00 > (COL-00131) $340.00 > (COL-00131) $949.00 > (COL-00131) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 1.9042 2.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0417 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 3.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 3.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00132) COL-00132 > (COL-00132) x > (COL-00132) x > (COL-00132) x > (COL-00132) 3-(4-Hydroxy-1,1-dioxo-tetrahydro-1lambda6-thiophen-3-ylamino)-propionic acid > (COL-00132) 325851-81-8 > (COL-00132) MFCD00649165 > (COL-00132) 500mg > (COL-00132) 1g > (COL-00132) 5g > (COL-00132) $159.00 > (COL-00132) $318.00 > (COL-00132) $849.00 > (COL-00132) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 6.2667 3.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 3.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 10 8 2 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 4 1 0 0 0 0 14 1 1 0 0 0 0 7 3 1 0 0 0 0 11 6 1 0 0 0 0 M END > (COL-00133) COL-00133 > (COL-00133) x > (COL-00133) 1-Allyl-2,3-dihydro-1H-indole-5-carbaldehyde > (COL-00133) MFCD07186424 > (COL-00133) 500mg > (COL-00133) 1g > (COL-00133) 5g > (COL-00133) $172.00 > (COL-00133) $344.00 > (COL-00133) $1,249.00 > (COL-00133) >95% $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 4.2542 4.6167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3000 5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 5.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 1.3708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4292 2.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 7.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 7 2 0 0 0 0 14 12 2 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 2 5 1 0 0 0 0 19 17 2 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00134) COL-00134 > (COL-00134) x > (COL-00134) x > (COL-00134) N-Cyclopropyl-2-(3-formyl-2-methyl-indol-1-yl)-acetamide > (COL-00134) MFCD03236458 > (COL-00134) 500mg > (COL-00134) 1g > (COL-00134) 5g > (COL-00134) $172.00 > (COL-00134) $344.00 > (COL-00134) $1,249.00 > (COL-00134) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 2.2167 1.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4375 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 3.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 14 15 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00135) COL-00135 > (COL-00135) x > (COL-00135) 2-Methoxy-4-pyrrolidin-1-yl-benzaldehyde > (COL-00135) MFCD04219125 > (COL-00135) 500mg > (COL-00135) 1g > (COL-00135) 5g > (COL-00135) $172.00 > (COL-00135) $344.00 > (COL-00135) $949.00 > (COL-00135) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.5417 4.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0125 3.8708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 3.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 11 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00136) COL-00136 > (COL-00136) x > (COL-00136) 3-(5-Oxo-2-thioxoimidazolidin-4-yl)-propionic acid > (COL-00136) 83178-70-5 > (COL-00136) MFCD01151881 > (COL-00136) 500mg > (COL-00136) 1g > (COL-00136) 5g > (COL-00136) $159.00 > (COL-00136) $318.00 > (COL-00136) $1,249.00 > (COL-00136) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 4.8417 3.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6250 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 7.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 5.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 4 2 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 19 16 1 0 0 0 0 4 5 1 0 0 0 0 17 13 2 0 0 0 0 M END > (COL-00137) COL-00137 > (COL-00137) x > (COL-00137) (3-Butyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetic acid > (COL-00137) MFCD01192107 > (COL-00137) 500mg > (COL-00137) 1g > (COL-00137) 5g > (COL-00137) $159.00 > (COL-00137) $318.00 > (COL-00137) $1,249.00 > (COL-00137) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 2.2542 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7917 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 12 1 0 0 0 0 11 1 1 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 14 15 1 0 0 0 0 7 13 1 0 0 0 0 M END > (COL-00138) COL-00138 > (COL-00138) x > (COL-00138) x > (COL-00138) 3-(Tetrahydro-furan-2-ylmethoxy)-benzaldehyde > (COL-00138) MFCD08144083 > (COL-00138) 500mg > (COL-00138) 1g > (COL-00138) 5g > (COL-00138) $172.00 > (COL-00138) $344.00 > (COL-00138) $1,065.00 > (COL-00138) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 3.2542 -0.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.0917 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 8 2 0 0 0 0 11 13 2 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 8 1 0 0 0 0 16 2 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 4 6 1 0 0 0 0 14 10 1 0 0 0 0 M END > (COL-00139) COL-00139 > (COL-00139) x > (COL-00139) 3-(2-Ethyl-imidazol-1-ylmethyl)-4-methoxy-benzaldehyde > (COL-00139) MFCD06801635 > (COL-00139) 500mg > (COL-00139) 1g > (COL-00139) 5g > (COL-00139) $172.00 > (COL-00139) $344.00 > (COL-00139) $1,249.00 > (COL-00139) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.4417 3.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3292 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 4.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 5 3 1 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00140) COL-00140 > (COL-00140) x > (COL-00140) x > (COL-00140) 1-(2-Hydroxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00140) 878424-18-1 > (COL-00140) MFCD07186502 > (COL-00140) 500mg > (COL-00140) 1g > (COL-00140) 5g > (COL-00140) $172.00 > (COL-00140) $344.00 > (COL-00140) $949.00 > (COL-00140) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 4.9542 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7792 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 5.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1875 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 11 2 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 2 5 1 0 0 0 0 12 6 1 0 0 0 0 M END > (COL-00141) COL-00141 > (COL-00141) x > (COL-00141) 5-Ethoxy-1,2-dimethyl-1H-indole-3-carbaldehyde > (COL-00141) MFCD06751847 > (COL-00141) 500mg > (COL-00141) 1g > (COL-00141) 5g > (COL-00141) $172.00 > (COL-00141) $344.00 > (COL-00141) $1,249.00 > (COL-00141) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.6241 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6241 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 -0.3345 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3345 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1655 1.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3345 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6483 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 -0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 1.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0483 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 -1.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 1.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4759 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -2.2586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 8 12 1 0 0 0 0 10 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 5 7 2 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00142) COL-00142 > (COL-00142) x > (COL-00142) x > (COL-00142) 1-(3-Hydroxy-propyl)-1H-indole-3-carbaldehyde > (COL-00142) MFCD07186406 > (COL-00142) 500mg > (COL-00142) 1g > (COL-00142) 5g > (COL-00142) $172.00 > (COL-00142) $344.00 > (COL-00142) $1,249.00 > (COL-00142) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 0.0375 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.2125 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6833 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -0.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 13 5 1 0 0 0 0 10 2 1 0 0 0 0 M END > (COL-00143) COL-00143 > (COL-00143) x > (COL-00143) N,N,N'-Trimethyl-N'-piperidin-4-yl-ethane-1,2-diamine > (COL-00143) 889940-14-1 > (COL-00143) MFCD08060067 > (COL-00143) 500mg > (COL-00143) 1g > (COL-00143) 5g > (COL-00143) $172.00 > (COL-00143) $214.00 > (COL-00143) $769.00 > (COL-00143) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 4.1917 3.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0292 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 6.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 4 1 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 5 3 1 0 0 0 0 17 15 2 0 0 0 0 M END > (COL-00144) COL-00144 > (COL-00144) x > (COL-00144) x > (COL-00144) 1-(2-Fluoro-benzyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00144) MFCD07396656 > (COL-00144) 500mg > (COL-00144) 1g > (COL-00144) 5g > (COL-00144) $172.00 > (COL-00144) $344.00 > (COL-00144) $1,065.00 > (COL-00144) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4167 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.8083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 9 2 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 10 6 2 0 0 0 0 18 17 1 0 0 0 0 M END > (COL-00145) COL-00145 > (COL-00145) x > (COL-00145) 3-Azepan-1-ylmethyl-4-methoxy-benzaldehyde > (COL-00145) MFCD03422304 > (COL-00145) 500mg > (COL-00145) 1g > (COL-00145) 5g > (COL-00145) $172.00 > (COL-00145) $344.00 > (COL-00145) $1,249.00 > (COL-00145) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4042 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 6.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 9.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 10.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 13 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 14 2 0 0 0 0 9 6 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 3 1 0 0 0 0 15 7 2 0 0 0 0 3 12 1 0 0 0 0 M END > (COL-00146) COL-00146 > (COL-00146) x > (COL-00146) x > (COL-00146) 4-Hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-benzaldehyde > (COL-00146) MFCD06589806 > (COL-00146) 500mg > (COL-00146) 1g > (COL-00146) 5g > (COL-00146) $172.00 > (COL-00146) $344.00 > (COL-00146) $1,249.00 > (COL-00146) >95% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 6.8958 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6125 -3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00147) COL-00147 > (COL-00147) x > (COL-00147) x > (COL-00147) x > (COL-00147) 5-Dimethylaminomethyl-2-hydroxy-3-methoxy-benzaldehyde > (COL-00147) MFCD03011573 > (COL-00147) 500mg > (COL-00147) 1g > (COL-00147) 5g > (COL-00147) $172.00 > (COL-00147) $344.00 > (COL-00147) $1,249.00 > (COL-00147) >95% $$$$ -ISIS- 02091117132D 18 20 0 0 0 0 0 0 0 0999 V2000 4.8792 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 3.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 1.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2167 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 5.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 11 2 0 0 0 0 14 10 2 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 4 6 1 0 0 0 0 18 17 1 0 0 0 0 12 13 1 0 0 0 0 M END > (COL-00148) COL-00148 > (COL-00148) x > (COL-00148) 4-Oxo-2-pyrrolidin-1-yl-4H-pyrido[1,2-a]-pyrimidine-3-carbaldehyde > (COL-00148) MFCD01072150 > (COL-00148) 500mg > (COL-00148) 1g > (COL-00148) 5g > (COL-00148) $172.00 > (COL-00148) $344.00 > (COL-00148) $1,249.00 > (COL-00148) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 6.0667 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 2.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 6.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 12 2 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 2 1 0 0 0 0 16 2 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 19 18 1 0 0 0 0 11 8 1 0 0 0 0 M END > (COL-00149) COL-00149 > (COL-00149) x > (COL-00149) 3-Ethoxy-4-(2-oxo-2-pyrrolidin-1-yl-ethoxy)-benzaldehyde > (COL-00149) MFCD06000929 > (COL-00149) 500mg > (COL-00149) 1g > (COL-00149) 5g > (COL-00149) $172.00 > (COL-00149) $344.00 > (COL-00149) $1,249.00 > (COL-00149) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.9375 -0.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 6 5 1 0 0 0 0 12 14 2 0 0 0 0 M END > (COL-00150) COL-00150 > (COL-00150) x > (COL-00150) x > (COL-00150) 1-(2-Chloro-phenyl)-1H-pyrrole-2-carbaldehyde > (COL-00150) 124695-22-3 > (COL-00150) MFCD02664855 > (COL-00150) 500mg > (COL-00150) 1g > (COL-00150) 5g > (COL-00150) $170.00 > (COL-00150) $340.00 > (COL-00150) $949.00 > (COL-00150) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 4.1917 2.4333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 1.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 5.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 3 2 0 0 0 0 11 2 2 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 6 7 1 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-00151) COL-00151 > (COL-00151) x > (COL-00151) 1-(6-Methyl-pyridin-2-yl)-1H-pyrrole-2-carbaldehyde > (COL-00151) MFCD02665161 > (COL-00151) 500mg > (COL-00151) 1g > (COL-00151) 5g > (COL-00151) $172.00 > (COL-00151) $318.00 > (COL-00151) $957.00 > (COL-00151) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 3.3000 2.9125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4750 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 5.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 15 1 0 0 0 0 6 4 1 0 0 0 0 16 14 2 0 0 0 0 M END > (COL-00152) COL-00152 > (COL-00152) x > (COL-00152) x > (COL-00152) 1-(3-Hydroxy-pyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00152) MFCD07643250 > (COL-00152) 500mg > (COL-00152) 1g > (COL-00152) 5g > (COL-00152) $172.00 > (COL-00152) $344.00 > (COL-00152) $1,249.00 > (COL-00152) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 3.8167 2.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 3.4333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 4.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8917 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 17 1 0 0 0 0 6 4 1 0 0 0 0 14 15 2 0 0 0 0 M END > (COL-00153) COL-00153 > (COL-00153) x > (COL-00153) 3-Acetyl-2-(4-methoxyphenyl)thiazolidine-4-carboxylic acid > (COL-00153) MFCD01815534 > (COL-00153) 500mg > (COL-00153) 1g > (COL-00153) 5g > (COL-00153) $159.00 > (COL-00153) $249.00 > (COL-00153) $1,249.00 > (COL-00153) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 1.0667 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 6 7 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00154) COL-00154 > (COL-00154) x > (COL-00154) 1-(5-Methyl-pyridin-2-yl)-1H-pyrrole-2-carbaldehyde > (COL-00154) MFCD02665160 > (COL-00154) 500mg > (COL-00154) 1g > (COL-00154) 5g > (COL-00154) $189.00 > (COL-00154) $349.00 > (COL-00154) $949.00 > (COL-00154) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 4.8375 4.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 5.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 6.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 3.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 7.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 5 2 1 0 0 0 0 17 15 2 0 0 0 0 M END > (COL-00155) COL-00155 > (COL-00155) x > (COL-00155) 2,5-Dimethyl-1-phenethyl-1H-pyrrole-3-carbaldehyde > (COL-00155) MFCD07186523 > (COL-00155) 500mg > (COL-00155) 1g > (COL-00155) 5g > (COL-00155) $172.00 > (COL-00155) $344.00 > (COL-00155) $1,065.00 > (COL-00155) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 2.4167 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00156) COL-00156 > (COL-00156) x > (COL-00156) x > (COL-00156) x > (COL-00156) 2-Chloro-4-hydroxy-5-methoxy-benzaldehyde > (COL-00156) 18268-76-3 > (COL-00156) MFCD02379943 > (COL-00156) 500mg > (COL-00156) 1g > (COL-00156) 5g > (COL-00156) $172.00 > (COL-00156) $279.00 > (COL-00156) $979.00 > (COL-00156) >95% $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 3.6500 2.1083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8667 1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 2.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1000 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 7 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 17 18 1 0 0 0 0 M END > (COL-00157) COL-00157 > (COL-00157) x > (COL-00157) x > (COL-00157) x > (COL-00157) (2-Benzenesulfonylamino-acetylamino)acetic acid > (COL-00157) 389070-77-3 > (COL-00157) MFCD00761592 > (COL-00157) 500mg > (COL-00157) 1g > (COL-00157) 5g > (COL-00157) $159.00 > (COL-00157) $275.00 > (COL-00157) $619.00 > (COL-00157) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.1792 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.5667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 5 3 1 0 0 0 0 14 15 1 0 0 0 0 M END > (COL-00158) COL-00158 > (COL-00158) x > (COL-00158) 4-Methoxy-2-piperidin-1-yl-thiazole-5-carbaldehyde > (COL-00158) MFCD08688104 > (COL-00158) 500mg > (COL-00158) 1g > (COL-00158) 5g > (COL-00158) $172.00 > (COL-00158) $344.00 > (COL-00158) $949.00 > (COL-00158) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.7542 -0.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 5 2 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00159) COL-00159 > (COL-00159) x > (COL-00159) 1,2,5,7-Tetramethyl-1H-indole-3-carbaldehyde > (COL-00159) MFCD08144094 > (COL-00159) 500mg > (COL-00159) 1g > (COL-00159) 5g > (COL-00159) $172.00 > (COL-00159) $344.00 > (COL-00159) $1,249.00 > (COL-00159) >95% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 0.2417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0667 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 9 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 5 10 1 0 0 0 0 M END > (COL-00160) COL-00160 > (COL-00160) x > (COL-00160) x > (COL-00160) 3-Dimethylaminomethyl-4-propoxy-benzaldehyde > (COL-00160) MFCD03180291 > (COL-00160) 500mg > (COL-00160) 1g > (COL-00160) 5g > (COL-00160) $172.00 > (COL-00160) $344.00 > (COL-00160) $1,249.00 > (COL-00160) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.7667 -0.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6583 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 7 6 1 0 0 0 0 11 14 1 0 0 0 0 M END > (COL-00161) COL-00161 > (COL-00161) x > (COL-00161) 1-(3-Methyl-pyridin-2-yl)-1H-pyrrole-2-carbaldehyde > (COL-00161) MFCD02665158 > (COL-00161) 500mg > (COL-00161) 1g > (COL-00161) 5g > (COL-00161) $170.00 > (COL-00161) $340.00 > (COL-00161) $1,249.00 > (COL-00161) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 6.9000 -3.2292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2375 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -3.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9542 -4.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -3.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7375 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 14 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 4 2 0 0 0 0 16 5 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 2 5 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 M END > (COL-00162) COL-00162 > (COL-00162) x > (COL-00162) x > (COL-00162) 2-(3-Formyl-indol-1-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide > (COL-00162) 333750-65-5 > (COL-00162) MFCD02578945 > (COL-00162) 500mg > (COL-00162) 1g > (COL-00162) 5g > (COL-00162) $159.00 > (COL-00162) $318.00 > (COL-00162) $1,249.00 > (COL-00162) >95% $$$$ -ISIS- 02091117132D 18 20 0 0 0 0 0 0 0 0999 V2000 5.8333 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -2.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -3.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 12 2 0 0 0 0 17 13 2 0 0 0 0 18 16 1 0 0 0 0 7 6 2 0 0 0 0 11 10 2 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-00163) COL-00163 > (COL-00163) x > (COL-00163) 5-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-furan-2-carbaldehyde > (COL-00163) MFCD02629618 > (COL-00163) 500mg > (COL-00163) 1g > (COL-00163) 5g > (COL-00163) $172.00 > (COL-00163) $344.00 > (COL-00163) $1,249.00 > (COL-00163) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 4.9667 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 0.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 4.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 2 4 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00164) COL-00164 > (COL-00164) x > (COL-00164) 2,6-Dimethyl-1H-indole-3-carbaldehyde > (COL-00164) 728024-59-7 > (COL-00164) MFCD06016187 > (COL-00164) 500mg > (COL-00164) 1g > (COL-00164) 5g > (COL-00164) $172.00 > (COL-00164) $214.00 > (COL-00164) $769.00 > (COL-00164) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.1792 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.5667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 14 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 10 1 0 0 0 0 5 3 1 0 0 0 0 13 8 1 0 0 0 0 M END > (COL-00165) COL-00165 > (COL-00165) x > (COL-00165) 4-Methoxy-2-morpholin-4-yl-thiazole-5-carbaldehyde > (COL-00165) MFCD08688061 > (COL-00165) 500mg > (COL-00165) 1g > (COL-00165) 5g > (COL-00165) $172.00 > (COL-00165) $344.00 > (COL-00165) $949.00 > (COL-00165) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 0.0500 0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 5 3 1 0 0 0 0 14 16 1 0 0 0 0 M END > (COL-00166) COL-00166 > (COL-00166) x > (COL-00166) 4-Ethoxy-2-piperidin-1-yl-thiazole-5-carbaldehyde > (COL-00166) MFCD08687758 > (COL-00166) 500mg > (COL-00166) 1g > (COL-00166) 5g > (COL-00166) $172.00 > (COL-00166) $344.00 > (COL-00166) $1,249.00 > (COL-00166) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.7375 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 5 2 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00167) COL-00167 > (COL-00167) x > (COL-00167) 2,4,6-Trimethyl-1H-indole-3-carbaldehyde > (COL-00167) MFCD08144096 > (COL-00167) 500mg > (COL-00167) 1g > (COL-00167) 5g > (COL-00167) $172.00 > (COL-00167) $344.00 > (COL-00167) $1,249.00 > (COL-00167) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 5.6417 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 1.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7792 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 9 2 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 17 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 5 12 2 0 0 0 0 18 11 2 0 0 0 0 M END > (COL-00168) COL-00168 > (COL-00168) x > (COL-00168) x > (COL-00168) 3-(4-Fluoro-phenoxymethyl)-4-methoxy-benzaldehyde > (COL-00168) MFCD01114921 > (COL-00168) 500mg > (COL-00168) 1g > (COL-00168) 5g > (COL-00168) $172.00 > (COL-00168) $219.00 > (COL-00168) $602.00 > (COL-00168) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 5.8667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -2.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5417 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2083 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 -4.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0083 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 5 6 2 0 0 0 0 11 13 1 0 0 0 0 M END > (COL-00169) COL-00169 > (COL-00169) x > (COL-00169) 5-(4-Methyl-piperidin-1-yl)-furan-2-carbaldehyde > (COL-00169) MFCD06011111 > (COL-00169) 500mg > (COL-00169) 1g > (COL-00169) 5g > (COL-00169) $169.00 > (COL-00169) $338.00 > (COL-00169) $1,249.00 > (COL-00169) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 4.8542 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 4.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8542 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 8.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 15 1 0 0 0 0 2 4 1 0 0 0 0 16 10 2 0 0 0 0 M END > (COL-00170) COL-00170 > (COL-00170) x > (COL-00170) x > (COL-00170) 1-(3-Hydroxy-propyl)-2-methyl-1H-indole-3-carbaldehyde > (COL-00170) MFCD07186551 > (COL-00170) 500mg > (COL-00170) 1g > (COL-00170) 5g > (COL-00170) $172.00 > (COL-00170) $344.00 > (COL-00170) $1,249.00 > (COL-00170) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.8375 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.6833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00171) COL-00171 > (COL-00171) x > (COL-00171) 2-Chloro-1-(6-methoxy-1H-indol-3-yl)-ethanone > (COL-00171) MFCD03848047 > (COL-00171) 500mg > (COL-00171) 1g > (COL-00171) 5g > (COL-00171) $170.00 > (COL-00171) $299.00 > (COL-00171) $592.00 > (COL-00171) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0833 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.0708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 14 1 0 0 0 0 12 11 2 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 2 4 1 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00172) COL-00172 > (COL-00172) x > (COL-00172) x > (COL-00172) [(6-Amino-9H-purin-8-yl)sulfanyl]acetic acid > (COL-00172) MFCD00453651 > (COL-00172) 500mg > (COL-00172) 1g > (COL-00172) 5g > (COL-00172) $159.00 > (COL-00172) $247.00 > (COL-00172) $493.00 > (COL-00172) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 3.5000 2.4250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1000 2.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9292 3.7583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 4.5792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 6.5542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 6 4 1 0 0 0 0 14 15 2 0 0 0 0 M END > (COL-00173) COL-00173 > (COL-00173) x > (COL-00173) x > (COL-00173) 3-Acetyl-2-(4-fluoro-phenyl)-thiazolidine-4-carboxylic acid > (COL-00173) MFCD00613804 > (COL-00173) 500mg > (COL-00173) 1g > (COL-00173) 5g > (COL-00173) $159.00 > (COL-00173) $274.00 > (COL-00173) $1,249.00 > (COL-00173) >95% $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 3.4417 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 2.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 3.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 6.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 7.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5042 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 18 2 0 0 0 0 12 1 2 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 6 2 0 0 0 0 16 13 1 0 0 0 0 17 7 2 0 0 0 0 18 15 1 0 0 0 0 19 7 1 0 0 0 0 20 9 1 0 0 0 0 21 11 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 16 14 2 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00174) COL-00174 > (COL-00174) x > (COL-00174) x > (COL-00174) 3-(3,4-Dimethoxyphenyl)-3-[(furan-2-carbonyl)-amino]propionic acid > (COL-00174) MFCD01366697 > (COL-00174) 500mg > (COL-00174) 1g > (COL-00174) 5g > (COL-00174) $159.00 > (COL-00174) $318.00 > (COL-00174) $1,249.00 > (COL-00174) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.4042 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 6.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 6.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 8.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 9 2 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 10 6 2 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00175) COL-00175 > (COL-00175) x > (COL-00175) x > (COL-00175) 4-Hydroxy-3-piperidin-1-ylmethyl-benzaldehyde > (COL-00175) MFCD06589805 > (COL-00175) 500mg > (COL-00175) 1g > (COL-00175) 5g > (COL-00175) $172.00 > (COL-00175) $344.00 > (COL-00175) $1,249.00 > (COL-00175) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.6708 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -0.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0417 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 2 8 1 0 0 0 0 9 10 2 0 0 0 0 M END > (COL-00176) COL-00176 > (COL-00176) x > (COL-00176) 2-Chloro-1-(2-methyl-2,3-dihydro-benzofuran-5-yl)-ethanone > (COL-00176) MFCD07801194 > (COL-00176) 500mg > (COL-00176) 1g > (COL-00176) 5g > (COL-00176) $172.00 > (COL-00176) $344.00 > (COL-00176) $1,249.00 > (COL-00176) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 4.3042 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 2.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 3.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 6.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 7.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 6.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 4 5 2 0 0 0 0 16 19 1 0 0 0 0 M END > (COL-00177) COL-00177 > (COL-00177) x > (COL-00177) x > (COL-00177) 2-(3-Carboxypropionylamino)-5,6-dihydro-4H-cyclo-penta[b]thiophene-3-carboxylic acid methyl ester > (COL-00177) 328025-47-4 > (COL-00177) MFCD01119696 > (COL-00177) 1g > (COL-00177) 5g > (COL-00177) 10g > (COL-00177) $174.00 > (COL-00177) $349.00 > (COL-00177) $499.00 > (COL-00177) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.1083 0.0708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.9000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7917 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -2.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 3 5 1 0 0 0 0 13 14 1 0 0 0 0 M END > (COL-00178) COL-00178 > (COL-00178) x > (COL-00178) 1-Cyclopentyl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde > (COL-00178) 326916-19-2 > (COL-00178) MFCD02704355 > (COL-00178) 500mg > (COL-00178) 1g > (COL-00178) 5g > (COL-00178) $170.00 > (COL-00178) $289.00 > (COL-00178) $592.00 > (COL-00178) >95% $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 3.6292 2.1583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 5.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 14 1 0 0 0 0 19 18 2 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 5 9 1 0 0 0 0 22 21 2 0 0 0 0 19 15 1 0 0 0 0 M END > (COL-00179) COL-00179 > (COL-00179) x > (COL-00179) 2-(2-Phenylimidazole-1-carbonyl)benzoic acid > (COL-00179) 302602-94-4 > (COL-00179) MFCD00407444 > (COL-00179) 500mg > (COL-00179) 1g > (COL-00179) 5g > (COL-00179) $159.00 > (COL-00179) $318.00 > (COL-00179) $1,249.00 > (COL-00179) >95% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 4.5667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 2.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 1.3958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7500 0.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 3.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 4.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 7 6 2 0 0 0 0 9 10 1 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00180) COL-00180 > (COL-00180) x > (COL-00180) 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde > (COL-00180) MFCD02665133 > (COL-00180) 500mg > (COL-00180) 1g > (COL-00180) 5g > (COL-00180) $172.00 > (COL-00180) $344.00 > (COL-00180) $949.00 > (COL-00180) >95% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 2.8125 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 2.4333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2125 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 4.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00181) COL-00181 > (COL-00181) x > (COL-00181) x > (COL-00181) 4-Diethylamino-2-ethoxy-benzaldehyde > (COL-00181) 61657-61-2 > (COL-00181) MFCD03031991 > (COL-00181) 500mg > (COL-00181) $172.00 > (COL-00181) >95% $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 8.3292 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 2.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2667 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2917 2.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 6.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 3.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 19 2 0 0 0 0 17 6 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 12 11 2 0 0 0 0 18 16 1 0 0 0 0 M END > (COL-00182) COL-00182 > (COL-00182) x > (COL-00182) x > (COL-00182) 3-[(Furan-2-carbonyl)-amino]-3-(4-methoxy-phenyl)-propionic acid > (COL-00182) 332052-52-5 > (COL-00182) MFCD01366662 > (COL-00182) 500mg > (COL-00182) 1g > (COL-00182) 5g > (COL-00182) $159.00 > (COL-00182) $318.00 > (COL-00182) $1,249.00 > (COL-00182) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 0.5000 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 1.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 1.5458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8375 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 12 1 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 5 3 1 0 0 0 0 11 17 1 0 0 0 0 M END > (COL-00183) COL-00183 > (COL-00183) x > (COL-00183) 2-Chloro-1-[1-(2-methoxy-ethyl)-1H-indol-3-yl]-ethanone > (COL-00183) MFCD08056108 > (COL-00183) 500mg > (COL-00183) 1g > (COL-00183) 5g > (COL-00183) $172.00 > (COL-00183) $344.00 > (COL-00183) $1,249.00 > (COL-00183) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.1542 -0.7917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5625 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -0.7917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 8 7 1 0 0 0 0 6 13 2 0 0 0 0 M END > (COL-00184) COL-00184 > (COL-00184) x > (COL-00184) x > (COL-00184) 1-(2-Chloro-pyridin-3-yl)-1H-pyrrole-2-carbaldehyde > (COL-00184) MFCD02665137 > (COL-00184) 500mg > (COL-00184) 1g > (COL-00184) 5g > (COL-00184) $170.00 > (COL-00184) $318.00 > (COL-00184) $949.00 > (COL-00184) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 4.8417 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 2.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 12 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 11 6 1 0 0 0 0 15 18 1 0 0 0 0 M END > (COL-00185) COL-00185 > (COL-00185) x > (COL-00185) 2-(4-Methyl-piperazine-1-carbonyl)-cyclohexanecarboxylic acid > (COL-00185) 331947-27-4 > (COL-00185) MFCD00586050 > (COL-00185) 1g > (COL-00185) 5g > (COL-00185) 10g > (COL-00185) $174.00 > (COL-00185) $349.00 > (COL-00185) $499.00 > (COL-00185) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 3.6292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 2 4 1 0 0 0 0 9 12 1 0 0 0 0 M END > (COL-00186) COL-00186 > (COL-00186) 2-Methyl-octahydro-quinolin-4-one > (COL-00186) MFCD02932745 > (COL-00186) 500mg > (COL-00186) 1g > (COL-00186) 5g > (COL-00186) $164.00 > (COL-00186) $328.00 > (COL-00186) $1,249.00 > (COL-00186) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 3.2292 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 4.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 12 2 0 0 0 0 12 8 1 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 5 2 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00187) COL-00187 > (COL-00187) x > (COL-00187) 5-(4-Methoxy-phenyl)-furan-2-carbaldehyde > (COL-00187) 34070-33-2 > (COL-00187) MFCD03788953 > (COL-00187) 500mg > (COL-00187) 1g > (COL-00187) 5g > (COL-00187) $172.00 > (COL-00187) $214.00 > (COL-00187) $769.00 > (COL-00187) >95% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 6.2792 3.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9167 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 2.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8125 3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6667 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 11 2 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 6 3 1 0 0 0 0 16 15 1 0 0 0 0 10 8 1 0 0 0 0 M END > (COL-00188) COL-00188 > (COL-00188) x > (COL-00188) 1-Cyclopentyl-2,3-dihydro-1H-indole-5-carbaldehyde > (COL-00188) MFCD07186425 > (COL-00188) 500mg > (COL-00188) 1g > (COL-00188) 5g > (COL-00188) $172.00 > (COL-00188) $344.00 > (COL-00188) $1,249.00 > (COL-00188) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.4167 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 6.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 12 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 3 7 1 0 0 0 0 M END > (COL-00189) COL-00189 > (COL-00189) x > (COL-00189) x > (COL-00189) 2-Chloro-1-(2,4-dihydroxy-phenyl)-ethanone > (COL-00189) 25015-92-3 > (COL-00189) MFCD03964730 > (COL-00189) 500mg > (COL-00189) 1g > (COL-00189) 5g > (COL-00189) $162.00 > (COL-00189) $247.00 > (COL-00189) $493.00 > (COL-00189) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2667 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 9 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 2 2 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 5 2 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00190) COL-00190 > (COL-00190) x > (COL-00190) 6-(2-Chloro-propionyl)-2-methyl-4H-benzo[1,4]oxazin-3-one > (COL-00190) MFCD08056132 > (COL-00190) 500mg > (COL-00190) 1g > (COL-00190) 5g > (COL-00190) $172.00 > (COL-00190) $344.00 > (COL-00190) $1,249.00 > (COL-00190) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2667 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 13 1 0 0 0 0 12 6 2 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 1 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 8 7 1 0 0 0 0 5 11 2 0 0 0 0 M END > (COL-00191) COL-00191 > (COL-00191) x > (COL-00191) 6-(2-Chloro-propionyl)-4-methyl-4H-benzo[1,4]oxazin-3-one > (COL-00191) MFCD07754025 > (COL-00191) 500mg > (COL-00191) 1g > (COL-00191) 5g > (COL-00191) $172.00 > (COL-00191) $344.00 > (COL-00191) $1,249.00 > (COL-00191) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 4.5917 3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 4.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 2.7375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 3.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 2.5833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1375 1.2333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 15 1 0 0 0 0 13 5 2 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 6 5 1 0 0 0 0 17 18 2 0 0 0 0 M END > (COL-00192) COL-00192 > (COL-00192) x > (COL-00192) x > (COL-00192) 2-(Benzothiazol-2-ylamino)-4-methylsulfanylbutyricacid > (COL-00192) 436810-97-8 > (COL-00192) MFCD00649555 > (COL-00192) 500mg > (COL-00192) 1g > (COL-00192) 5g > (COL-00192) $159.00 > (COL-00192) $318.00 > (COL-00192) $805.00 > (COL-00192) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 2.8000 7.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 6.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1000 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 6.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 8.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 13 9 1 0 0 0 0 14 12 2 0 0 0 0 M END > (COL-00193) COL-00193 > (COL-00193) 2-Phenethyl-piperidine > (COL-00193) 159053-39-1 > (COL-00193) MFCD02663650 > (COL-00193) 500mg > (COL-00193) 1g > (COL-00193) 5g > (COL-00193) $172.00 > (COL-00193) $214.00 > (COL-00193) $769.00 > (COL-00193) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 3.9292 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 3.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 6.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0417 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 2 5 1 0 0 0 0 11 6 2 0 0 0 0 M END > (COL-00194) COL-00194 > (COL-00194) x > (COL-00194) 5-Methoxy-1-propyl-1H-indole-3-carbaldehyde > (COL-00194) 128600-67-9 > (COL-00194) MFCD07186534 > (COL-00194) 500mg > (COL-00194) 1g > (COL-00194) 5g > (COL-00194) $188.00 > (COL-00194) $349.00 > (COL-00194) $949.00 > (COL-00194) >95% $$$$ -ISIS- 02091117132D 25 26 0 0 0 0 0 0 0 0999 V2000 6.0542 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1167 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 8.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 14 2 0 0 0 0 11 1 2 0 0 0 0 12 5 2 0 0 0 0 13 6 2 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 20 2 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 16 1 0 0 0 0 21 15 2 0 0 0 0 22 17 1 0 0 0 0 23 10 1 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 8 10 1 0 0 0 0 21 17 1 0 0 0 0 M END > (COL-00195) COL-00195 > (COL-00195) x > (COL-00195) x > (COL-00195) x > (COL-00195) 3-(3,4-Dimethoxy-benzoylamino)-3-(4-fluoro-phenyl)-propionic acid > (COL-00195) 332052-63-8 > (COL-00195) MFCD01366676 > (COL-00195) 500mg > (COL-00195) 1g > (COL-00195) 5g > (COL-00195) $159.00 > (COL-00195) $318.00 > (COL-00195) $1,249.00 > (COL-00195) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2292 5.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 7.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 6.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 2 2 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 6 9 1 0 0 0 0 15 17 2 0 0 0 0 M END > (COL-00196) COL-00196 > (COL-00196) x > (COL-00196) 2-(2-Methylimidazole-1-carbonyl)benzoic acid > (COL-00196) 247088-99-9 > (COL-00196) MFCD00443948 > (COL-00196) 500mg > (COL-00196) 1g > (COL-00196) 5g > (COL-00196) $159.00 > (COL-00196) $318.00 > (COL-00196) $889.00 > (COL-00196) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.5667 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0833 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9375 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 10 2 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 4 2 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00197) COL-00197 > (COL-00197) x > (COL-00197) 4,6-Dimethoxy-1-methyl-1H-indole-3-carbaldehyde > (COL-00197) MFCD05258767 > (COL-00197) 500mg > (COL-00197) 1g > (COL-00197) 5g > (COL-00197) $189.00 > (COL-00197) $378.00 > (COL-00197) $1,249.00 > (COL-00197) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -3.4125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 7 1 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 10 2 0 0 0 0 12 8 2 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 4 5 2 0 0 0 0 7 11 1 0 0 0 0 M END > (COL-00198) COL-00198 > (COL-00198) x > (COL-00198) 5-(2-Chloro-acetyl)-1,3-dihydro-benzoimidazol-2-one > (COL-00198) MFCD04624846 > (COL-00198) 500mg > (COL-00198) 1g > (COL-00198) 5g > (COL-00198) $172.00 > (COL-00198) $344.00 > (COL-00198) $1,249.00 > (COL-00198) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.7917 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00199) COL-00199 > (COL-00199) x > (COL-00199) 2-Chloro-1-(5-methoxy-1H-indol-3-yl)-ethanone > (COL-00199) MFCD03289190 > (COL-00199) 500mg > (COL-00199) 1g > (COL-00199) 5g > (COL-00199) $170.00 > (COL-00199) $299.00 > (COL-00199) $592.00 > (COL-00199) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.8125 -0.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0958 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 4 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 8 15 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00200) COL-00200 > (COL-00200) x > (COL-00200) 2-Methyl-4-morpholin-4-yl-benzaldehyde > (COL-00200) 736991-00-7 > (COL-00200) MFCD06589789 > (COL-00200) 500mg > (COL-00200) 1g > (COL-00200) 5g > (COL-00200) $148.00 > (COL-00200) $296.00 > (COL-00200) $798.00 > (COL-00200) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 4.0292 -3.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7042 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3625 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 -4.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -5.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 13 2 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 8 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 15 1 0 0 0 0 4 7 1 0 0 0 0 14 10 1 0 0 0 0 M END > (COL-00201) COL-00201 > (COL-00201) x > (COL-00201) 3-(3,5-Dimethyl-pyrazol-1-ylmethyl)-4-methoxy-benzaldehyde > (COL-00201) 436086-91-8 > (COL-00201) MFCD01114925 > (COL-00201) 500mg > (COL-00201) 1g > (COL-00201) 5g > (COL-00201) $159.00 > (COL-00201) $219.00 > (COL-00201) $602.00 > (COL-00201) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 3.6875 -3.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0167 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -5.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -5.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00202) COL-00202 > (COL-00202) x > (COL-00202) 3-(5-Methylpyrazol-1-yl)propionic acid > (COL-00202) 180741-46-2 > (COL-00202) MFCD00996156 > (COL-00202) 1g > (COL-00202) 5g > (COL-00202) 10g > (COL-00202) $174.00 > (COL-00202) $579.00 > (COL-00202) $977.00 > (COL-00202) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 3.7542 4.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7542 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 1.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5625 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 2 5 1 0 0 0 0 15 12 1 0 0 0 0 M END > (COL-00203) COL-00203 > (COL-00203) x > (COL-00203) x > (COL-00203) 1-(2-Dimethylamino-ethyl)-1H-indole-3-carbaldehyde > (COL-00203) MFCD07186404 > (COL-00203) 500mg > (COL-00203) 1g > (COL-00203) 5g > (COL-00203) $172.00 > (COL-00203) $344.00 > (COL-00203) $1,249.00 > (COL-00203) >95% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 3.6292 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 6.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 7.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 6 4 2 0 0 0 0 M END > (COL-00204) COL-00204 > (COL-00204) x > (COL-00204) 3-Allyl-4,5-dimethoxy-benzaldehyde > (COL-00204) 67483-49-2 > (COL-00204) MFCD02629560 > (COL-00204) 1g > (COL-00204) 5g > (COL-00204) $174.00 > (COL-00204) $579.00 > (COL-00204) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 2.2250 2.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5542 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 4.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 1 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 7 3 1 0 0 0 0 9 6 2 0 0 0 0 M END > (COL-00205) COL-00205 > (COL-00205) x > (COL-00205) 1-Propyl-2,3-dihydro-1H-indole-5-carbaldehyde > (COL-00205) MFCD07186419 > (COL-00205) 500mg > (COL-00205) 1g > (COL-00205) 5g > (COL-00205) $172.00 > (COL-00205) $344.00 > (COL-00205) $1,249.00 > (COL-00205) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 0.9792 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00206) COL-00206 > (COL-00206) x > (COL-00206) 2-Methoxy-5-methoxymethyl-benzaldehyde > (COL-00206) MFCD06248006 > (COL-00206) 500mg > (COL-00206) 1g > (COL-00206) 5g > (COL-00206) $189.00 > (COL-00206) $378.00 > (COL-00206) $1,249.00 > (COL-00206) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 6.6875 -1.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9000 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 -3.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -1.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3792 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 8 10 1 0 0 0 0 11 4 1 0 0 0 0 M END > (COL-00207) COL-00207 > (COL-00207) 1-Piperidin-3-ylmethyl-pyrrolidin-2-one > (COL-00207) 876709-32-9 > (COL-00207) MFCD06408761 > (COL-00207) 500mg > (COL-00207) 1g > (COL-00207) 5g > (COL-00207) $172.00 > (COL-00207) $214.00 > (COL-00207) $769.00 > (COL-00207) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 4.2000 2.4333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7917 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 5.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 6 7 1 0 0 0 0 14 10 2 0 0 0 0 M END > (COL-00208) COL-00208 > (COL-00208) x > (COL-00208) x > (COL-00208) 1-(3-Fluoro-phenyl)-1H-pyrrole-2-carbaldehyde > (COL-00208) 383136-19-4 > (COL-00208) MFCD02664877 > (COL-00208) 500mg > (COL-00208) 1g > (COL-00208) 5g > (COL-00208) $172.00 > (COL-00208) $318.00 > (COL-00208) $949.00 > (COL-00208) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 0.3000 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.5167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 10 6 1 0 0 0 0 16 17 1 0 0 0 0 M END > (COL-00209) COL-00209 > (COL-00209) x > (COL-00209) 4-Propoxy-3-pyrrolidin-1-ylmethyl-benzaldehyde > (COL-00209) MFCD03180293 > (COL-00209) 500mg > (COL-00209) 1g > (COL-00209) 5g > (COL-00209) $189.00 > (COL-00209) $378.00 > (COL-00209) $1,249.00 > (COL-00209) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 3.6292 2.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9042 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 2.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 4 5 1 0 0 0 0 13 12 1 0 0 0 0 M END > (COL-00210) COL-00210 > (COL-00210) x > (COL-00210) 1-Cyclohexyl-1H-pyrrole-2-carbaldehyde > (COL-00210) 878422-21-0 > (COL-00210) MFCD00457594 > (COL-00210) 500mg > (COL-00210) 1g > (COL-00210) 5g > (COL-00210) $172.00 > (COL-00210) $344.00 > (COL-00210) $949.00 > (COL-00210) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 6.0750 1.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8625 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 2.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 1 1 0 0 0 0 14 5 1 0 0 0 0 7 3 1 0 0 0 0 10 6 2 0 0 0 0 M END > (COL-00211) COL-00211 > (COL-00211) x > (COL-00211) 1,2-Dimethyl-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde > (COL-00211) MFCD06809641 > (COL-00211) 500mg > (COL-00211) 1g > (COL-00211) 5g > (COL-00211) $172.00 > (COL-00211) $344.00 > (COL-00211) $879.00 > (COL-00211) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.5167 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9542 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9083 -1.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6750 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 9 2 1 0 0 0 0 12 14 1 0 0 0 0 M END > (COL-00212) COL-00212 > (COL-00212) 1-Methyl-4-(2-piperidin-2-yl-ethyl)-piperazine > (COL-00212) MFCD00854097 > (COL-00212) 500mg > (COL-00212) 1g > (COL-00212) 5g > (COL-00212) $172.00 > (COL-00212) $344.00 > (COL-00212) $879.00 > (COL-00212) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.7625 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 5 10 2 0 0 0 0 M END > (COL-00213) COL-00213 > (COL-00213) x > (COL-00213) 3-(2-Methoxy-ethoxy)-benzaldehyde > (COL-00213) MFCD08144122 > (COL-00213) 500mg > (COL-00213) 1g > (COL-00213) 5g > (COL-00213) $172.00 > (COL-00213) $321.00 > (COL-00213) $844.00 > (COL-00213) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 4.8167 2.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 4.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 4.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 14 10 1 0 0 0 0 12 8 1 0 0 0 0 M END > (COL-00214) COL-00214 > (COL-00214) 1-Piperidino-2-[2]piperidyl-ethane > (COL-00214) 14759-07-0 > (COL-00214) MFCD00083062 > (COL-00214) 500mg > (COL-00214) 1g > (COL-00214) 5g > (COL-00214) $172.00 > (COL-00214) $344.00 > (COL-00214) $633.00 > (COL-00214) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 5.8208 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8208 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 9 2 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 10 6 1 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-00215) COL-00215 > (COL-00215) x > (COL-00215) 4-Methoxy-3-piperidin-1-ylmethyl-benzaldehyde > (COL-00215) MFCD01876391 > (COL-00215) 500mg > (COL-00215) 1g > (COL-00215) 5g > (COL-00215) $172.00 > (COL-00215) $219.00 > (COL-00215) $602.00 > (COL-00215) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 0.7000 1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 1 0 0 0 0 4 1 2 0 0 0 0 5 10 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 2 8 2 0 0 0 0 M END > (COL-00216) COL-00216 > (COL-00216) x > (COL-00216) x > (COL-00216) 2-[(Pyridin-3-ylmethyl)-amino]-ethanol > (COL-00216) MFCD02044390 > (COL-00216) 500mg > (COL-00216) 1g > (COL-00216) 5g > (COL-00216) $159.00 > (COL-00216) $318.00 > (COL-00216) $949.00 > (COL-00216) >95% $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 0.7542 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -2.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 2 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 9 4 2 0 0 0 0 M END > (COL-00217) COL-00217 > (COL-00217) x > (COL-00217) x > (COL-00217) 4-(3-Dimethylamino-propoxy)-3-methoxy-benzaldehyde > (COL-00217) MFCD08690183 > (COL-00217) 500mg > (COL-00217) 1g > (COL-00217) 5g > (COL-00217) $188.00 > (COL-00217) $299.00 > (COL-00217) $592.00 > (COL-00217) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 2.6667 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 2.0875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0875 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 2 3 1 0 0 0 0 M END > (COL-00218) COL-00218 > (COL-00218) x > (COL-00218) 1-Butyl-3-methyl-1H-pyrazole-4-carbaldehyde > (COL-00218) MFCD06805436 > (COL-00218) 500mg > (COL-00218) 1g > (COL-00218) 5g > (COL-00218) $172.00 > (COL-00218) $344.00 > (COL-00218) $1,249.00 > (COL-00218) >95% $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 0.5750 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -1.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3917 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 9 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 5 10 1 0 0 0 0 M END > (COL-00219) COL-00219 > (COL-00219) x > (COL-00219) x > (COL-00219) 3-Diethylaminomethyl-4-propoxy-benzaldehyde > (COL-00219) MFCD03180292 > (COL-00219) 500mg > (COL-00219) 1g > (COL-00219) 5g > (COL-00219) $172.00 > (COL-00219) $344.00 > (COL-00219) $1,249.00 > (COL-00219) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 2.4250 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 11 7 2 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00220) COL-00220 > (COL-00220) x > (COL-00220) 2-Cyclopentyloxy-benzaldehyde > (COL-00220) 145742-38-7 > (COL-00220) MFCD04132910 > (COL-00220) 1g > (COL-00220) 5g > (COL-00220) 10g > (COL-00220) $174.00 > (COL-00220) $579.00 > (COL-00220) $1,062.00 > (COL-00220) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.4125 2.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00221) COL-00221 > (COL-00221) x > (COL-00221) 2-Methoxy-4-piperidin-1-yl-benzaldehyde > (COL-00221) MFCD06740039 > (COL-00221) 500mg > (COL-00221) 1g > (COL-00221) 5g > (COL-00221) $172.00 > (COL-00221) $344.00 > (COL-00221) $949.00 > (COL-00221) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.9375 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 16 2 0 0 0 0 16 12 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 0 0 0 0 M END > (COL-00222) COL-00222 > (COL-00222) x > (COL-00222) 2-(2-Pyrrolidin-1-yl-ethoxy)-benzaldehyde > (COL-00222) 35166-80-4 > (COL-00222) MFCD05832990 > (COL-00222) 500mg > (COL-00222) 1g > (COL-00222) 5g > (COL-00222) $172.00 > (COL-00222) $344.00 > (COL-00222) $1,249.00 > (COL-00222) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.8208 1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4375 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 9 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 5 4 1 0 0 0 0 10 16 2 0 0 0 0 M END > (COL-00223) COL-00223 > (COL-00223) x > (COL-00223) 1-[2-(3-Methoxy-phenoxy)-ethyl]-1H-pyrrole-2-carbaldehyde > (COL-00223) MFCD08144710 > (COL-00223) 500mg > (COL-00223) 1g > (COL-00223) 5g > (COL-00223) $172.00 > (COL-00223) $344.00 > (COL-00223) $1,249.00 > (COL-00223) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 0.5542 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1583 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 3 1 0 0 0 0 7 9 2 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 11 6 2 0 0 0 0 14 17 1 0 0 0 0 M END > (COL-00224) COL-00224 > (COL-00224) x > (COL-00224) 4-Methoxy-3-(tetrahydro-furan-2-ylmethoxy)-benzaldehyde > (COL-00224) MFCD08690188 > (COL-00224) 500mg > (COL-00224) 1g > (COL-00224) 5g > (COL-00224) $189.00 > (COL-00224) $378.00 > (COL-00224) $1,065.00 > (COL-00224) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.8375 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00225) COL-00225 > (COL-00225) x > (COL-00225) 5-Propyl-furan-2-carbaldehyde > (COL-00225) 14497-27-9 > (COL-00225) MFCD08144844 > (COL-00225) 500mg > (COL-00225) 1g > (COL-00225) 5g > (COL-00225) $172.00 > (COL-00225) $284.00 > (COL-00225) $979.00 > (COL-00225) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 6.0667 3.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2042 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 14 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 5 6 1 0 0 0 0 10 13 2 0 0 0 0 M END > (COL-00226) COL-00226 > (COL-00226) x > (COL-00226) 1-(4-Methoxy-benzyl)-1H-pyrrole-2-carbaldehyde > (COL-00226) 861162-64-3 > (COL-00226) MFCD07396162 > (COL-00226) 500mg > (COL-00226) 1g > (COL-00226) 5g > (COL-00226) $172.00 > (COL-00226) $344.00 > (COL-00226) $949.00 > (COL-00226) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 4 6 1 0 0 0 0 M END > (COL-00227) COL-00227 > (COL-00227) x > (COL-00227) 2-Isopropyl-pyrimidine-5-carbaldehyde > (COL-00227) 312263-48-2 > (COL-00227) MFCD07186436 > (COL-00227) 1g > (COL-00227) 5g > (COL-00227) 10g > (COL-00227) $174.00 > (COL-00227) $579.00 > (COL-00227) $1,477.00 > (COL-00227) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 3.6292 4.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 5.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 6 7 1 0 0 0 0 14 10 2 0 0 0 0 M END > (COL-00228) COL-00228 > (COL-00228) x > (COL-00228) 1-(3-Methoxy-phenyl)-1H-pyrrole-2-carbaldehyde > (COL-00228) 309735-42-0 > (COL-00228) MFCD02110515 > (COL-00228) 500mg > (COL-00228) 1g > (COL-00228) 5g > (COL-00228) $172.00 > (COL-00228) $299.00 > (COL-00228) $592.00 > (COL-00228) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.7833 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5958 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 15 1 0 0 0 0 15 4 2 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 11 14 2 0 0 0 0 18 20 1 0 0 0 0 M END > (COL-00229) COL-00229 > (COL-00229) x > (COL-00229) 3-Methoxy-2-(3-piperidin-1-yl-propoxy)-benzaldehyde > (COL-00229) MFCD08144107 > (COL-00229) 500mg > (COL-00229) 1g > (COL-00229) 5g > (COL-00229) $172.00 > (COL-00229) $344.00 > (COL-00229) $1,249.00 > (COL-00229) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.2458 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8917 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 3 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 4 2 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 14 16 1 0 0 0 0 5 12 1 0 0 0 0 M END > (COL-00230) COL-00230 > (COL-00230) 2-[2-(3-Methoxy-phenyl)-ethyl]-piperidine > (COL-00230) MFCD08688095 > (COL-00230) 500mg > (COL-00230) 1g > (COL-00230) 5g > (COL-00230) $172.00 > (COL-00230) $344.00 > (COL-00230) $1,065.00 > (COL-00230) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 3.6292 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 3.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 8.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 1 2 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 3 2 0 0 0 0 15 5 2 0 0 0 0 16 7 1 0 0 0 0 17 18 2 0 0 0 0 18 15 1 0 0 0 0 9 11 2 0 0 0 0 17 14 1 0 0 0 0 M END > (COL-00231) COL-00231 > (COL-00231) x > (COL-00231) x > (COL-00231) 2-[(3-Methylfuran-2-carbonyl)amino]benzoic acid > (COL-00231) MFCD00469464 > (COL-00231) 500mg > (COL-00231) 1g > (COL-00231) 5g > (COL-00231) $159.00 > (COL-00231) $218.00 > (COL-00231) $574.00 > (COL-00231) >95% $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 3.6292 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 5.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 5.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 8.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 6.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 7.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 7 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00232) COL-00232 > (COL-00232) x > (COL-00232) x > (COL-00232) 2-[(5-Methyl-furan-2-carbonyl)-amino]-4-methylsulfanylbutyric acid > (COL-00232) 324001-24-3 > (COL-00232) MFCD00741784 > (COL-00232) 500mg > (COL-00232) 1g > (COL-00232) 5g > (COL-00232) $159.00 > (COL-00232) $318.00 > (COL-00232) $805.00 > (COL-00232) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.5083 0.6125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 15 1 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 6 5 1 0 0 0 0 14 10 2 0 0 0 0 M END > (COL-00233) COL-00233 > (COL-00233) x > (COL-00233) x > (COL-00233) 1-(4-Fluoro-benzyl)-1H-pyrrole-2-carbaldehyde > (COL-00233) MFCD08144711 > (COL-00233) 500mg > (COL-00233) 1g > (COL-00233) 5g > (COL-00233) $172.00 > (COL-00233) $344.00 > (COL-00233) $1,249.00 > (COL-00233) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 4.5500 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -12.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -12.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -13.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -12.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 -13.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -13.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -13.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -11.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -13.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -12.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 7 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 5 7 2 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00234) COL-00234 > (COL-00234) x > (COL-00234) 3-Methyl-4-pyrrolidin-1-yl-benzaldehyde > (COL-00234) 461033-80-7 > (COL-00234) MFCD03063768 > (COL-00234) 1g > (COL-00234) 5g > (COL-00234) 10g > (COL-00234) $174.00 > (COL-00234) $579.00 > (COL-00234) $979.00 > (COL-00234) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 1.3000 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5625 -14.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -9.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7333 -14.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8583 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 2.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0167 -10.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8625 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -14.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 7 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 13 1 0 0 0 0 7 4 2 0 0 0 0 16 17 1 0 0 0 0 M END > (COL-00235) COL-00235 > (COL-00235) x > (COL-00235) 4-Cyclopentyloxy-3-ethoxy-benzaldehyde > (COL-00235) MFCD02375349 > (COL-00235) 1g > (COL-00235) 5g > (COL-00235) 10g > (COL-00235) $160.00 > (COL-00235) $454.00 > (COL-00235) $763.00 > (COL-00235) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 4.0000 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6042 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6042 4.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 4.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 11.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 9.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 11.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 2.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6375 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 17 1 0 0 0 0 6 3 1 0 0 0 0 7 9 2 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 15 2 1 0 0 0 0 16 2 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 11 1 0 0 0 0 6 10 2 0 0 0 0 18 5 1 0 0 0 0 M END > (COL-00236) COL-00236 > (COL-00236) x > (COL-00236) 3-Methoxy-4-(2-morpholin-4-yl-ethoxy)-benzaldehyde > (COL-00236) 6131-05-1 > (COL-00236) MFCD01922694 > (COL-00236) 1g > (COL-00236) 5g > (COL-00236) 10g > (COL-00236) $160.00 > (COL-00236) $454.00 > (COL-00236) $724.00 > (COL-00236) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 2.4250 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00239) COL-00239 > (COL-00239) x > (COL-00239) 3-Bromo-6-fluoro-2-methylpyridine > (COL-00239) 375368-83-5 > (COL-00239) MFCD03095092 > (COL-00239) 1g > (COL-00239) 5g > (COL-00239) $44.00 > (COL-00239) $143.00 > (COL-00239) >97% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 9.0236 -2.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0224 -2.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 -3.3069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4537 -2.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4508 -2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7354 -1.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1688 -3.3049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1625 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4449 -4.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8738 -4.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 -5.3721 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0417 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6917 -5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8625 -6.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 0 0 0 3 4 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 5 1 0 0 0 0 8 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 11 13 1 0 0 0 0 1 2 2 0 0 0 0 11 14 1 0 0 0 0 M END > (COL-00240) COL-00240 > (COL-00240) x > (COL-00240) 2-BOC-Aminopyridine > (COL-00240) 38427-94-0 > (COL-00240) MFCD03411622 > (COL-00240) 1g > (COL-00240) 5g > (COL-00240) 10g > (COL-00240) $59.00 > (COL-00240) $175.00 > (COL-00240) $293.00 > (COL-00240) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 3 6 1 0 0 0 0 M END > (COL-00242) COL-00242 > (COL-00242) x > (COL-00242) 2,6-Diamino-3,4-dihydropyrimidin-4-one > (COL-00242) 56-06-4 > (COL-00242) MFCD00043013 > (COL-00242) 1g > (COL-00242) 5g > (COL-00242) 10g > (COL-00242) $59.00 > (COL-00242) $155.00 > (COL-00242) $295.00 > (COL-00242) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.6083 1.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 3 5 2 0 0 0 0 M END > (COL-00243) COL-00243 > (COL-00243) x > (COL-00243) 2-Ethyl-3-hydroxy-6-methylpyridine > (COL-00243) 2364-75-2 > (COL-00243) MFCD00462409 > (COL-00243) 1g > (COL-00243) 5g > (COL-00243) $70.00 > (COL-00243) $219.00 > (COL-00243) >98% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 4.3791 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -4.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -5.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 0.4542 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 0.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 0.8694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 8 1 0 0 0 0 3 9 1 0 0 0 0 6 17 1 0 0 0 0 9 10 1 0 0 0 0 17 18 1 0 0 0 0 10 11 1 0 0 0 0 17 19 1 0 0 0 0 M END > (COL-00244) COL-00244 > (COL-00244) x > (COL-00244) 4-Benzyloxy-3,5-dimethylbenzeneboronic acid > (COL-00244) 333788-94-6 > (COL-00244) MFCD04039003 > (COL-00244) 250mg > (COL-00244) 1g > (COL-00244) 5g > (COL-00244) $38.00 > (COL-00244) $110.00 > (COL-00244) $443.00 > (COL-00244) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-00245) COL-00245 > (COL-00245) x > (COL-00245) x > (COL-00245) D-Phenylalanine > (COL-00245) 673-06-3 > (COL-00245) MFCD00063927 > (COL-00245) 10g > (COL-00245) $139.00 > (COL-00245) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.4292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 4 9 1 0 0 0 0 M END > (COL-00246) COL-00246 > (COL-00246) x > (COL-00246) x > (COL-00246) 2,4-Dichlorophenylhydrazine > (COL-00246) 5446-18-4 > (COL-00246) MFCD00044514 > (COL-00246) 1g > (COL-00246) 5g > (COL-00246) $72.00 > (COL-00246) $238.00 > (COL-00246) >97% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 4.6792 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -3.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9583 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -4.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -1.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -0.7875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9583 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3958 -4.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4583 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 14 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 8 11 1 0 0 0 0 12 5 1 0 0 0 0 M END > (COL-00248) COL-00248 > (COL-00248) x > (COL-00248) 1-(2,3-Dichlorophenyl)piperazine hydrochloride > (COL-00248) 119532-26-2 > (COL-00248) MFCD00190238 > (COL-00248) 5g > (COL-00248) $18.00 > (COL-00248) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.1750 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 -4.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -2.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 9 5 1 0 0 0 0 M END > (COL-00249) COL-00249 > (COL-00249) x > (COL-00249) x > (COL-00249) 2-Chloro-5-fluorobenzaldehyde > (COL-00249) 84194-30-9 > (COL-00249) MFCD03788511 > (COL-00249) 5g > (COL-00249) $38.00 > (COL-00249) >98% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 4.4833 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -2.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -2.2416 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -1.4166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9203 -1.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 -1.0032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 -2.2403 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0500 -2.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 -1.4143 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 6 1 1 0 0 0 0 8 9 1 0 0 0 0 5 7 1 0 0 0 0 8 10 2 0 0 0 0 1 2 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > (COL-00250) COL-00250 > (COL-00250) x > (COL-00250) x > (COL-00250) 2-Chloro-6-nitrobenzoic acid > (COL-00250) 5344-49-0 > (COL-00250) MFCD00100425 > (COL-00250) 1g > (COL-00250) 5g > (COL-00250) $29.00 > (COL-00250) $64.00 > (COL-00250) >98% $$$$ -ISIS- 02091117132D 8 7 0 0 0 0 0 0 0 0999 V2000 3.7458 -2.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6583 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9708 -3.9750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.8125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 3 5 1 0 0 0 0 M END > (COL-00251) COL-00251 > (COL-00251) x > (COL-00251) x > (COL-00251) 2-Amino-5-bromo-1,3-thiazole hydrobromide > (COL-00251) 61296-22-8 > (COL-00251) MFCD00012712 > (COL-00251) 1g > (COL-00251) $30.00 > (COL-00251) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 0.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00252) COL-00252 > (COL-00252) x > (COL-00252) x > (COL-00252) x > (COL-00252) 5-Fluoro-2-hydroxybenzaldehyde > (COL-00252) 347-54-6 > (COL-00252) MFCD01090997 > (COL-00252) 1g > (COL-00252) $28.00 > (COL-00252) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 3.5292 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.6875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3125 -1.6875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3125 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -2.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 3 10 1 1 0 0 0 4 11 1 1 0 0 0 8 9 1 0 0 0 0 6 2 1 0 0 0 0 M END > (COL-00253) COL-00253 > (COL-00253) (1S,5R)-8-Azabicyclo[3.2.1]octan-3-one hydrochloride > (COL-00253) 25602-68-0 > (COL-00253) MFCD03613582 > (COL-00253) 1g > (COL-00253) 5g > (COL-00253) $286.00 > (COL-00253) $829.00 > (COL-00253) >98% $$$$ -ISIS- 02091117132D 10 11 0 0 0 0 0 0 0 0999 V2000 -2.5333 0.9833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.0083 0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0083 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9375 0.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 M END > (COL-00254) COL-00254 > (COL-00254) x > (COL-00254) 6-Chloroimidazo[1,2-b]pyridazine > (COL-00254) 6775-78-6 > (COL-00254) MFCD07778345 > (COL-00254) 1g > (COL-00254) 5g > (COL-00254) $74.00 > (COL-00254) $187.00 > (COL-00254) >98% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 -2.6583 2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 9 11 2 0 0 0 0 16 10 1 0 0 0 0 M END > (COL-00256) COL-00256 > (COL-00256) x > (COL-00256) N-(2,6-Dimethylphenyl)piperidine-2-carboxamide > (COL-00256) 15883-20-2 > (COL-00256) MFCD01701244 > (COL-00256) 5g > (COL-00256) $69.00 > (COL-00256) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.6463 -2.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2304 -2.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 -2.4160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -3.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -3.5769 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -3.6563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5653 -1.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3857 -1.4003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -0.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8712 -2.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 1 2 2 0 0 0 0 7 8 1 0 0 0 0 2 3 1 0 0 0 0 7 9 2 0 0 0 0 3 4 2 0 0 0 0 8 10 1 0 0 0 0 M END > (COL-00257) COL-00257 > (COL-00257) x > (COL-00257) Methyl 2-amino-1,3-thiazole-4-carboxylate > (COL-00257) 118452-04-3 > (COL-00257) MFCD00622441 > (COL-00257) 1g > (COL-00257) 5g > (COL-00257) 10g > (COL-00257) $22.00 > (COL-00257) $58.00 > (COL-00257) $84.00 > (COL-00257) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 5.3776 -4.4508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4038 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 -4.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.3811 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9665 -3.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -1.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.1096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2710 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 -0.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 1 0 0 0 11 12 1 0 0 0 0 M END > (COL-00258) COL-00258 > (COL-00258) x > (COL-00258) (R)-3-Hydroxypyrrolidine, N-BOC protected > (COL-00258) 103057-44-9 > (COL-00258) MFCD01317838 > (COL-00258) 5g > (COL-00258) 10g > (COL-00258) 25g > (COL-00258) $57.00 > (COL-00258) $149.00 > (COL-00258) $224.00 > (COL-00258) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 5.3776 -4.4508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4038 -3.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6655 -4.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1879 -4.4768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7495 -5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -3.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -2.3811 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9665 -3.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3645 -1.8884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0201 -1.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -1.1096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2710 -1.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 -0.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 6 0 0 0 11 12 1 0 0 0 0 M END > (COL-00259) COL-00259 > (COL-00259) x > (COL-00259) (S)-3-Hydroxypyrrolidine, N-BOC protected > (COL-00259) 101469-92-5 > (COL-00259) MFCD01317839 > (COL-00259) 1g > (COL-00259) 5g > (COL-00259) $32.00 > (COL-00259) $121.00 > (COL-00259) >98% $$$$ z -ISIS- 02091117132D benzyloxycarbonyl 17 16 0 0 0 0 0 0 0 0999 V2000 1.5250 -1.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -2.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8246 -3.6081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 -2.2697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6168 -3.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 -2.5187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 -2.9514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7076 -0.0539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7090 -1.3914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 -0.3155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.7219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 9 10 2 0 0 0 0 5 1 1 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 12 1 0 0 0 0 16 15 2 0 0 0 0 M END > (COL-00260) COL-00260 > (COL-00260) x > (COL-00260) 2-Aminoimidazole hemisulfate > (COL-00260) 1450-93-7 > (COL-00260) MFCD00013162 > (COL-00260) 10g > (COL-00260) $244.00 > (COL-00260) >96% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -5.0833 1.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 2.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 6 4 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00261) COL-00261 > (COL-00261) x > (COL-00261) 5-Methoxy-3H-imidazo[4,5-b]pyridine-2-thiol > (COL-00261) 113713-60-3 > (COL-00261) MFCD06658230 > (COL-00261) 5g > (COL-00261) $47.00 > (COL-00261) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 4.8648 -3.4385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5825 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8648 -1.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 -2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1472 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -1.7835 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3043 -3.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2964 -1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0114 -2.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2952 -0.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 3 9 1 0 0 0 0 2 8 1 0 0 0 0 9 10 1 0 0 0 0 1 2 2 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00262) COL-00262 > (COL-00262) x > (COL-00262) x > (COL-00262) x > (COL-00262) 5-Bromo-2-hydroxynicotinic acid > (COL-00262) 104612-36-4 > (COL-00262) MFCD07363801 > (COL-00262) 5g > (COL-00262) $25.00 > (COL-00262) >96% $$$$ -ISIS- 02091117132D 7 7 0 0 0 0 0 0 0 0999 V2000 5.8208 -2.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2375 -1.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.2541 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1544 -3.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 1 7 1 0 0 0 0 M END > (COL-00263) COL-00263 > (COL-00263) x > (COL-00263) 4-Bromo-1-methyl-1H-pyrazole > (COL-00263) 15803-02-8 > (COL-00263) MFCD02179565 > (COL-00263) 1g > (COL-00263) 5g > (COL-00263) 25g > (COL-00263) $24.00 > (COL-00263) $59.00 > (COL-00263) $199.00 > (COL-00263) >98% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 2 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 6 10 1 0 0 0 0 3 7 2 0 0 0 0 M END > (COL-00264) COL-00264 > (COL-00264) 6,7-Dimethoxy-1H-quinazolin-4-one > (COL-00264) 13794-72-4 > (COL-00264) MFCD07776135 > (COL-00264) 1g > (COL-00264) 5g > (COL-00264) $38.00 > (COL-00264) $86.00 > (COL-00264) >98% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.1042 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 10 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 16 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 7 2 0 0 0 0 14 7 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 6 3 2 0 0 0 0 15 9 2 0 0 0 0 M END > (COL-00265) COL-00265 > (COL-00265) x > (COL-00265) x > (COL-00265) 5-Chloro-2-(4-chlorophenoxy)aniline > (COL-00265) 121-27-7 > (COL-00265) MFCD00027391 > (COL-00265) 1g > (COL-00265) 5g > (COL-00265) 25g > (COL-00265) $98.00 > (COL-00265) $267.00 > (COL-00265) $804.00 > (COL-00265) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -4.6083 0.2583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2500 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 4 3 2 0 0 0 0 M CHG 2 1 1 6 -1 M END > (COL-00267) COL-00267 > (COL-00267) x > (COL-00267) 2-Chloro-5-nitropyrimidine > (COL-00267) 10320-42-0 > (COL-00267) MFCD04117995 > (COL-00267) 1g > (COL-00267) 5g > (COL-00267) 10g > (COL-00267) $55.00 > (COL-00267) $202.00 > (COL-00267) $375.00 > (COL-00267) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -5.2500 2.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 3 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00268) COL-00268 > (COL-00268) x > (COL-00268) x > (COL-00268) x > (COL-00268) 2-Amino-4-fluorobenzonitrile > (COL-00268) 80517-22-2 > (COL-00268) MFCD09955451 > (COL-00268) 5g > (COL-00268) 25g > (COL-00268) $134.00 > (COL-00268) $539.00 > (COL-00268) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 4 5 2 0 0 0 0 M END > (COL-00269) COL-00269 > (COL-00269) x > (COL-00269) x > (COL-00269) x > (COL-00269) 4-Chloro-3-hydroxybenzoic acid > (COL-00269) 34113-69-4 > (COL-00269) MFCD00153892 > (COL-00269) 1g > (COL-00269) 5g > (COL-00269) 10g > (COL-00269) $59.00 > (COL-00269) $219.00 > (COL-00269) $295.00 > (COL-00269) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.1708 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 9 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 10 6 2 0 0 0 0 M END > (COL-00270) COL-00270 > (COL-00270) x > (COL-00270) x > (COL-00270) 4-Formylbenzonitrile > (COL-00270) 104-88-1 > (COL-00270) MFCD00003376 > (COL-00270) 5g > (COL-00270) $18.00 > (COL-00270) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.0083 1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 3 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 10 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 6 2 0 0 0 0 7 5 2 0 0 0 0 M END > (COL-00271) COL-00271 > (COL-00271) x > (COL-00271) x > (COL-00271) x > (COL-00271) 4-Cyano-3-fluoroaniline > (COL-00271) 53312-80-4 > (COL-00271) MFCD07368709 > (COL-00271) 5g > (COL-00271) $134.00 > (COL-00271) >98% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 -5.2500 2.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 3 2 1 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00272) COL-00272 > (COL-00272) x > (COL-00272) 4-Aminoisoquinoline > (COL-00272) 23687-25-4 > (COL-00272) MFCD00034752 > (COL-00272) 1g > (COL-00272) 5g > (COL-00272) 10g > (COL-00272) $110.00 > (COL-00272) $499.00 > (COL-00272) $799.00 > (COL-00272) >96% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 4.3859 -3.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 -2.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6683 -3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8209 -3.4794 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5385 -3.0635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -4.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2325 -4.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 -0.9912 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6716 -0.5723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -0.5741 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7 10 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 4 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 11 1 13 -1 M END > (COL-00273) COL-00273 > (COL-00273) x > (COL-00273) 3-Nitrobenzenesulfonamide > (COL-00273) 121-52-8 > (COL-00273) MFCD00007935 > (COL-00273) 1g > (COL-00273) 5g > (COL-00273) 25g > (COL-00273) $20.00 > (COL-00273) $58.00 > (COL-00273) $231.00 > (COL-00273) >96% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 5.1879 -3.0276 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8617 -2.5561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1879 -3.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5107 -2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -1.7560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6268 -2.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 -4.2758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9105 -4.2641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7645 -1.7560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2362 -2.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -3.8510 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2753 -1.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -3.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 -4.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9186 -3.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 3 7 1 0 0 0 0 3 8 2 0 0 0 0 4 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 9 12 1 6 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 5 9 1 0 0 0 0 M END > (COL-00274) COL-00274 > (COL-00274) x > (COL-00274) BOC-trans-4-hydroxy-L-prolinol > (COL-00274) 61478-26-0 > (COL-00274) MFCD02094386 > (COL-00274) 1g > (COL-00274) 5g > (COL-00274) 10g > (COL-00274) $84.00 > (COL-00274) $294.00 > (COL-00274) $420.00 > (COL-00274) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 4.2834 -2.7666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2834 -3.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -3.8542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -3.1833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -4.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -1.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -1.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3872 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1942 -0.5979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 1 2 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-00275) COL-00275 > (COL-00275) x > (COL-00275) x > (COL-00275) Ethyl 2-amino-5-bromothiazole-4-carboxylate > (COL-00275) 61830-21-5 > (COL-00275) MFCD06669909 > (COL-00275) 1g > (COL-00275) 5g > (COL-00275) 10g > (COL-00275) $64.00 > (COL-00275) $219.00 > (COL-00275) $379.00 > (COL-00275) >97% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 -3.3583 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6458 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 7 2 1 0 0 0 0 M END > (COL-00276) COL-00276 > (COL-00276) 3,3-Dimethylpiperidine > (COL-00276) 1193-12-0 > (COL-00276) MFCD00005995 > (COL-00276) 250mg > (COL-00276) 1g > (COL-00276) 5g > (COL-00276) $94.00 > (COL-00276) $160.00 > (COL-00276) $940.00 > (COL-00276) >95% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 4.6917 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -3.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -0.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 5 2 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 15 12 1 0 0 0 0 11 4 1 0 0 0 0 M END > (COL-00278) COL-00278 > (COL-00278) 1-(2-Methoxybenzyl)piperazine hydrochloride > (COL-00278) MFCD06800908 > (COL-00278) 500mg > (COL-00278) 1g > (COL-00278) 5g > (COL-00278) $159.00 > (COL-00278) $222.00 > (COL-00278) $795.00 > (COL-00278) >95% $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 2.1500 2.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4417 4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 5.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 4.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0167 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 5 20 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 15 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 15 2 1 0 0 0 0 16 11 1 0 0 0 0 17 1 1 0 0 0 0 18 1 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 13 1 0 0 0 0 19 5 1 0 0 0 0 6 13 1 0 0 0 0 M END > (COL-00279) COL-00279 > (COL-00279) x > (COL-00279) 1-(2-Allyl-4-methyl-phenoxy)-3-piperazin-1-yl-propan-2-ol > (COL-00279) MFCD07186509 > (COL-00279) 500mg > (COL-00279) 1g > (COL-00279) 5g > (COL-00279) $172.00 > (COL-00279) $240.00 > (COL-00279) $860.00 > (COL-00279) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 2.1625 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 -0.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7000 3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7750 -7.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4875 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4542 12.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8875 12.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8417 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0750 -8.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 15 1 0 0 0 0 7 4 1 0 0 0 0 8 10 2 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 7 11 2 0 0 0 0 6 16 1 0 0 0 0 M END > (COL-00280) COL-00280 > (COL-00280) x > (COL-00280) 4-Methoxy-3-(morpholin-4-ylmethyl)benzaldehyde > (COL-00280) MFCD00442737 > (COL-00280) 500mg > (COL-00280) 1g > (COL-00280) 5g > (COL-00280) $119.00 > (COL-00280) $219.00 > (COL-00280) $592.00 > (COL-00280) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.8542 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 4 2 1 0 0 0 0 14 9 2 0 0 0 0 M END > (COL-00281) COL-00281 > (COL-00281) x > (COL-00281) x > (COL-00281) 1-(2-Hydroxyethyl)-1H-indole-3-carbaldehyde > (COL-00281) MFCD07186405 > (COL-00281) 500mg > (COL-00281) 1g > (COL-00281) 5g > (COL-00281) $119.00 > (COL-00281) $166.00 > (COL-00281) $595.00 > (COL-00281) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -1.2500 1.4458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2292 -2.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4958 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 3 10 1 0 0 0 0 13 9 1 0 0 0 0 M END > (COL-00282) COL-00282 > (COL-00282) 4-(2-Piperidin-2-yl-ethyl)-morpholine > (COL-00282) 216985-68-1 > (COL-00282) MFCD00828630 > (COL-00282) 1g > (COL-00282) 5g > (COL-00282) 10g > (COL-00282) $94.00 > (COL-00282) $288.00 > (COL-00282) $485.00 > (COL-00282) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 2.3042 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 5.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3917 8.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 3.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 3.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 12 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 16 2 0 0 0 0 14 1 1 0 0 0 0 15 4 2 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 15 13 1 0 0 0 0 11 3 1 0 0 0 0 M END > (COL-00283) COL-00283 > (COL-00283) 1-[2-(2,3-Dimethyl-phenoxy)-ethyl]-piperazine > (COL-00283) MFCD02946839 > (COL-00283) 500mg > (COL-00283) 1g > (COL-00283) 5g > (COL-00283) $172.00 > (COL-00283) $240.00 > (COL-00283) $879.00 > (COL-00283) >95% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4292 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 9.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 7 2 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 6 2 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00284) COL-00284 > (COL-00284) x > (COL-00284) x > (COL-00284) 3-Ethoxy-4-(2-hydroxy-ethoxy)-benzaldehyde > (COL-00284) MFCD02256186 > (COL-00284) 1g > (COL-00284) 5g > (COL-00284) 10g > (COL-00284) $109.00 > (COL-00284) $300.00 > (COL-00284) $499.00 > (COL-00284) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 7.0542 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6667 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 13 1 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 11 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 5 6 2 0 0 0 0 15 18 2 0 0 0 0 M END > (COL-00285) COL-00285 > (COL-00285) x > (COL-00285) x > (COL-00285) 5-(2-Formyl-phenoxymethyl)-furan-2-carboxylic acid methyl ester > (COL-00285) MFCD01893342 > (COL-00285) 1g > (COL-00285) 5g > (COL-00285) 10g > (COL-00285) $150.00 > (COL-00285) $454.00 > (COL-00285) $763.00 > (COL-00285) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.0750 1.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 5.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00286) COL-00286 > (COL-00286) x > (COL-00286) 5-Butyl-thiophene-2-carbaldehyde > (COL-00286) 98954-25-7 > (COL-00286) MFCD03872257 > (COL-00286) 1g > (COL-00286) 5g > (COL-00286) 10g > (COL-00286) $164.00 > (COL-00286) $426.00 > (COL-00286) $709.00 > (COL-00286) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 6.5458 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -1.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 -2.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 M END > (COL-00287) COL-00287 > (COL-00287) x > (COL-00287) 3-Methyl-1H-indole-2-carbaldehyde > (COL-00287) 5257-24-9 > (COL-00287) MFCD00957066 > (COL-00287) 250mg > (COL-00287) 500mg > (COL-00287) 1g > (COL-00287) $121.00 > (COL-00287) $169.00 > (COL-00287) $214.00 > (COL-00287) >95% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 3.7542 2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.4083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6750 2.6083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 5.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 5.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 12 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 2 2 0 0 0 0 14 5 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 6 5 1 0 0 0 0 14 16 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00288) COL-00288 > (COL-00288) 1-(2,3-Dihydro-benzofuran-2-ylmethyl)-piperazine > (COL-00288) 876717-03-2 > (COL-00288) MFCD06751853 > (COL-00288) 500mg > (COL-00288) 1g > (COL-00288) 5g > (COL-00288) $172.00 > (COL-00288) $240.00 > (COL-00288) $879.00 > (COL-00288) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 4.0250 -2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -3.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -3.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8863 -2.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-00289) COL-00289 > (COL-00289) x > (COL-00289) x > (COL-00289) 3-Chloro-6-(methylamino)pyridazine > (COL-00289) 14959-32-1 > (COL-00289) MFCD02178601 > (COL-00289) 1g > (COL-00289) 5g > (COL-00289) 10g > (COL-00289) $89.00 > (COL-00289) $319.00 > (COL-00289) $445.00 > (COL-00289) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 0.4167 -0.6750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4833 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00290) COL-00290 > (COL-00290) x > (COL-00290) 5-Isobutyl-thiophene-2-carbaldehyde > (COL-00290) 104804-16-2 > (COL-00290) MFCD08060024 > (COL-00290) 1g > (COL-00290) 5g > (COL-00290) 10g > (COL-00290) $164.00 > (COL-00290) $426.00 > (COL-00290) $709.00 > (COL-00290) >95% $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 1.5500 0.1958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7167 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.1833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7583 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 2 1 0 0 0 0 5 7 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 3 5 1 0 0 0 0 M END > (COL-00292) COL-00292 > (COL-00292) x > (COL-00292) 5-Isopropyl-4-methoxy-2-methyl-benzenesulfonyl chloride > (COL-00292) 889939-83-7 > (COL-00292) MFCD08445770 > (COL-00292) 500mg > (COL-00292) 1g > (COL-00292) 5g > (COL-00292) $172.00 > (COL-00292) $240.00 > (COL-00292) $949.00 > (COL-00292) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 3.6792 -3.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -3.3167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3917 -2.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8167 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00293) COL-00293 > (COL-00293) x > (COL-00293) Dimethyl-(2-piperidin-2-yl-ethyl)-amine > (COL-00293) 60717-49-9 > (COL-00293) MFCD00047329 > (COL-00293) 1g > (COL-00293) 5g > (COL-00293) 10g > (COL-00293) $113.00 > (COL-00293) $294.00 > (COL-00293) $489.00 > (COL-00293) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8250 -0.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 -0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 14 7 1 0 0 0 0 12 6 1 0 0 0 0 M END > (COL-00294) COL-00294 > (COL-00294) 4-(Piperazine-1-sulfonyl)-morpholine > (COL-00294) MFCD05995674 > (COL-00294) 1g > (COL-00294) 5g > (COL-00294) 10g > (COL-00294) $164.00 > (COL-00294) $426.00 > (COL-00294) $709.00 > (COL-00294) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 -1.0500 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6875 -6.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -11.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1542 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9625 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -11.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4375 -10.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0125 -14.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -14.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -16.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8500 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 9 8 1 0 0 0 0 M END > (COL-00297) COL-00297 > (COL-00297) x > (COL-00297) 3-Methoxy-2-propoxy-benzaldehyde > (COL-00297) MFCD03422449 > (COL-00297) 1g > (COL-00297) 5g > (COL-00297) 10g > (COL-00297) $109.00 > (COL-00297) $300.00 > (COL-00297) $499.00 > (COL-00297) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.2250 5.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7875 3.5250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.1875 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -4.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5625 5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 4 2 2 0 0 0 0 M END > (COL-00300) COL-00300 > (COL-00300) x > (COL-00300) 1-Ethyl-5-methyl-1H-pyrazole-4-carbaldehyde > (COL-00300) 933778-29-1 > (COL-00300) MFCD02056531 > (COL-00300) 500mg > (COL-00300) 1g > (COL-00300) 5g > (COL-00300) $119.00 > (COL-00300) $219.00 > (COL-00300) $602.00 > (COL-00300) >95% $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 3.6792 4.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5167 5.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 7.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 3.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7375 6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 5.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 7.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 15 2 0 0 0 0 17 13 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 5 3 1 0 0 0 0 11 16 1 0 0 0 0 17 19 2 0 0 0 0 M END > (COL-00301) COL-00301 > (COL-00301) x > (COL-00301) 1-(1-Phenyl-ethyl)-1H-benzoimidazole-2-carbaldehyde > (COL-00301) 612046-98-7 > (COL-00301) MFCD03130246 > (COL-00301) 1g > (COL-00301) 5g > (COL-00301) 10g > (COL-00301) $129.00 > (COL-00301) $449.00 > (COL-00301) $744.00 > (COL-00301) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 7.2542 2.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0417 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 18 1 0 0 0 0 6 3 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 14 2 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 1 1 0 0 0 0 16 1 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 17 5 1 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-00304) COL-00304 > (COL-00304) x > (COL-00304) 4-(2-Morpholin-4-yl-2-oxo-ethoxy)-benzaldehyde > (COL-00304) 30817-36-8 > (COL-00304) MFCD04084440 > (COL-00304) 1g > (COL-00304) 5g > (COL-00304) 10g > (COL-00304) $94.00 > (COL-00304) $288.00 > (COL-00304) $484.00 > (COL-00304) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 3.8167 -0.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3792 -0.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0917 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00305) COL-00305 > (COL-00305) x > (COL-00305) 2,2-Dimethyl-3-pyrrolidin-1-ylpropanal > (COL-00305) 296264-94-3 > (COL-00305) MFCD00457349 > (COL-00305) 1g > (COL-00305) 5g > (COL-00305) 10g > (COL-00305) $214.00 > (COL-00305) $769.00 > (COL-00305) $1,384.00 > (COL-00305) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 -10.3167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 -2.3542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -8.4250 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1000 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0000 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1042 7.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9917 -2.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4167 10.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1000 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 10.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 15 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 7 9 1 0 0 0 0 6 14 1 0 0 0 0 M END > (COL-00306) COL-00306 > (COL-00306) 1-(2,5-Dimethoxy-benzyl)-piperazine > (COL-00306) MFCD02040853 > (COL-00306) 500mg > (COL-00306) 1g > (COL-00306) 5g > (COL-00306) $188.00 > (COL-00306) $349.00 > (COL-00306) $949.00 > (COL-00306) >95% $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 4.2125 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 7.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7167 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00307) COL-00307 > (COL-00307) x > (COL-00307) 3-Allyl-4-isopropoxy-5-methoxy-benzaldehyde > (COL-00307) 883543-95-1 > (COL-00307) MFCD07397472 > (COL-00307) 1g > (COL-00307) 5g > (COL-00307) 10g > (COL-00307) $129.00 > (COL-00307) $451.00 > (COL-00307) $645.00 > (COL-00307) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 5.0792 5.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 7.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.3708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5792 3.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3125 6.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 9.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 8.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 7.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 6 1 0 0 0 0 9 19 1 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 4 2 0 0 0 0 15 5 2 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 14 1 0 0 0 0 21 20 2 0 0 0 0 5 3 1 0 0 0 0 15 21 1 0 0 0 0 18 9 1 0 0 0 0 M END > (COL-00308) COL-00308 > (COL-00308) x > (COL-00308) 1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol > (COL-00308) MFCD05239094 > (COL-00308) 500mg > (COL-00308) 1g > (COL-00308) 5g > (COL-00308) $168.00 > (COL-00308) $235.00 > (COL-00308) $840.00 > (COL-00308) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6917 2.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3792 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 14 15 1 0 0 0 0 15 9 2 0 0 0 0 12 5 1 0 0 0 0 14 11 2 0 0 0 0 M END > (COL-00309) COL-00309 > (COL-00309) 3-[(2-Methylphenoxy)methyl]piperidine > (COL-00309) 785713-79-3 > (COL-00309) MFCD06248326 > (COL-00309) 1g > (COL-00309) 5g > (COL-00309) 10g > (COL-00309) $94.00 > (COL-00309) $288.00 > (COL-00309) $484.00 > (COL-00309) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.3083 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 12 2 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 9 13 2 0 0 0 0 M END > (COL-00311) COL-00311 > (COL-00311) x > (COL-00311) 3-(2-Methyl-allyloxy)-benzaldehyde > (COL-00311) 38002-95-8 > (COL-00311) MFCD07392462 > (COL-00311) 1g > (COL-00311) 5g > (COL-00311) 10g > (COL-00311) $94.00 > (COL-00311) $288.00 > (COL-00311) $484.00 > (COL-00311) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 6.4167 1.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 12 14 1 0 0 0 0 9 2 1 0 0 0 0 M END > (COL-00312) COL-00312 > (COL-00312) 1-Piperidino-2-[4]piperidyl-ethane > (COL-00312) 14759-09-2 > (COL-00312) MFCD00053588 > (COL-00312) 500mg > (COL-00312) 1g > (COL-00312) 5g > (COL-00312) $172.00 > (COL-00312) $240.00 > (COL-00312) $860.00 > (COL-00312) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 3.0292 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 4.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3292 3.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 11 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 10 5 1 0 0 0 0 14 15 1 0 0 0 0 M END > (COL-00313) COL-00313 > (COL-00313) Azepan-1-yl-piperazin-1-yl-methanone > (COL-00313) 41340-91-4 > (COL-00313) MFCD07186466 > (COL-00313) 500mg > (COL-00313) 1g > (COL-00313) 5g > (COL-00313) $172.00 > (COL-00313) $240.00 > (COL-00313) $860.00 > (COL-00313) >95% $$$$ -ISIS- 02091117132D 0 0 0 0 0 0 V3000 M V30 BEGIN CTAB M V30 COUNTS 15 16 0 0 0 M V30 BEGIN ATOM M V30 1 N 5.125 -2.525 0 0 CFG=3 M V30 2 C 4.45 -1.35417 0 0 M V30 3 C 4.45 -2.12917 0 0 M V30 4 C 5.80417 -2.12917 0 0 M V30 5 C 5.80417 -1.35417 0 0 M V30 6 C 4.45 -3.69167 0 0 M V30 7 C 3.85 -0.7625 0 0 M V30 8 C 5.125 -3.30417 0 0 M V30 9 O 3.04583 -0.9875 0 0 M V30 10 C 3.775 -2.525 0 0 M V30 11 C 6.47917 -2.525 0 0 M V30 12 C 6.47917 -0.95 0 0 M V30 13 C 7.15833 -2.12917 0 0 M V30 14 C 7.15833 -1.34583 0 0 M V30 15 C 3.775 -4.07917 0 0 M V30 END ATOM M V30 BEGIN BOND M V30 1 2 2 3 M V30 2 1 3 1 M V30 3 1 4 1 M V30 4 2 5 4 M V30 5 1 6 8 M V30 6 1 7 2 M V30 7 1 8 1 M V30 8 2 9 7 M V30 9 1 10 3 M V30 10 1 11 4 M V30 11 1 12 5 M V30 12 2 13 11 M V30 13 1 14 13 M V30 14 1 2 5 M V30 15 2 14 12 M V30 16 3 6 15 M V30 END BOND M V30 BEGIN COLLECTION M V30 MDLV30/HILITE ATOMS=(2 6 15) M V30 END COLLECTION M V30 END CTAB M END > (COL-00314) COL-00314 > (COL-00314) x > (COL-00314) x > (COL-00314) 2-Methyl-1-prop-2-ynyl-1H-indole-3-carbaldehyde > (COL-00314) 842973-82-4 > (COL-00314) MFCD04342457 > (COL-00314) 1g > (COL-00314) 5g > (COL-00314) 10g > (COL-00314) $94.00 > (COL-00314) $288.00 > (COL-00314) $484.00 > (COL-00314) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4250 4.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7000 -0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 17 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 16 3 1 0 0 0 0 12 8 1 0 0 0 0 M END > (COL-00315) COL-00315 > (COL-00315) x > (COL-00315) 2-(4-Chloro-phenoxy)-1-piperazin-1-yl-ethanone > (COL-00315) 143999-83-1 > (COL-00315) MFCD03446007 > (COL-00315) 500mg > (COL-00315) 1g > (COL-00315) 5g > (COL-00315) $168.00 > (COL-00315) $235.00 > (COL-00315) $840.00 > (COL-00315) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.1125 -2.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5500 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -3.6292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00316) COL-00316 > (COL-00316) x > (COL-00316) 2-(2-Bromo-ethyl)-piperidine > (COL-00316) MFCD08144834 > (COL-00316) 1g > (COL-00316) 5g > (COL-00316) 10g > (COL-00316) $94.00 > (COL-00316) $288.00 > (COL-00316) $470.00 > (COL-00316) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 7.2792 2.1083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 13 1 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 12 9 2 0 0 0 0 M END > (COL-00317) COL-00317 > (COL-00317) x > (COL-00317) 4-(2-Oxo-2-pyrrolidin-1-yl-ethoxy)-benzaldehyde > (COL-00317) 438229-79-9 > (COL-00317) MFCD03075290 > (COL-00317) 1g > (COL-00317) 5g > (COL-00317) 10g > (COL-00317) $129.00 > (COL-00317) $449.00 > (COL-00317) $585.00 > (COL-00317) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 3.6292 3.2958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3417 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 5.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 5.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 13 2 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 16 2 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 2 5 1 0 0 0 0 8 14 1 0 0 0 0 M END > (COL-00319) COL-00319 > (COL-00319) x > (COL-00319) 2,5-Dimethyl-1-pyridin-3-ylmethyl-1H-pyrrole-3-carbaldehyde > (COL-00319) 878424-30-7 > (COL-00319) MFCD07186504 > (COL-00319) 1g > (COL-00319) 5g > (COL-00319) 10g > (COL-00319) $94.00 > (COL-00319) $288.00 > (COL-00319) $484.00 > (COL-00319) >95% $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 6.0292 2.8333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.2500 2.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8167 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 4.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 5.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 5.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 18 1 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 16 1 0 0 0 0 15 10 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 15 14 2 0 0 0 0 17 8 1 0 0 0 0 M END > (COL-00320) COL-00320 > (COL-00320) x > (COL-00320) N-[4-(Piperazine-1-sulfonyl)-phenyl]-acetamide > (COL-00320) 100318-71-6 > (COL-00320) MFCD04113956 > (COL-00320) 500mg > (COL-00320) 1g > (COL-00320) 5g > (COL-00320) $168.00 > (COL-00320) $235.00 > (COL-00320) $840.00 > (COL-00320) >95% $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 0.7292 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 1.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -2.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 13 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 6 7 2 0 0 0 0 8 14 1 0 0 0 0 19 18 2 0 0 0 0 M END > (COL-00321) COL-00321 > (COL-00321) 1-[(1-Methyl-1H-imidazol-2-yl)-phenyl-methyl]-piperazine > (COL-00321) MFCD08688244 > (COL-00321) 500mg > (COL-00321) 1g > (COL-00321) 5g > (COL-00321) $172.00 > (COL-00321) $240.00 > (COL-00321) $860.00 > (COL-00321) >95% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 2.2542 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.9583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.2125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4375 4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 4 7 2 0 0 0 0 9 8 1 0 0 0 0 M END > (COL-00322) COL-00322 > (COL-00322) 1-Ethyl-1,2,3,4-tetrahydro-pyrrolo[1,2-a]pyrazine > (COL-00322) MFCD07186359 > (COL-00322) 1g > (COL-00322) 5g > (COL-00322) 10g > (COL-00322) $164.00 > (COL-00322) $426.00 > (COL-00322) $709.00 > (COL-00322) >95% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 2.0792 3.6250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 4.3417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2000 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 5.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 6.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 17 1 0 0 0 0 9 7 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 16 8 1 0 0 0 0 10 13 1 0 0 0 0 M END > (COL-00323) COL-00323 > (COL-00323) x > (COL-00323) 1-(5-Chloro-2-methoxy-benzenesulfonyl)-piperazine > (COL-00323) MFCD03444533 > (COL-00323) 1g > (COL-00323) 5g > (COL-00323) 10g > (COL-00323) $102.00 > (COL-00323) $263.00 > (COL-00323) $438.00 > (COL-00323) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 1.2125 4.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 2.7875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 6.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 12 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 13 4 1 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00324) COL-00324 > (COL-00324) 1-(1-p-Tolyl-ethyl)-piperazine > (COL-00324) MFCD05187481 > (COL-00324) 500mg > (COL-00324) 1g > (COL-00324) 5g > (COL-00324) $172.00 > (COL-00324) $240.00 > (COL-00324) $949.00 > (COL-00324) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 5.0167 -21.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -22.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -21.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -22.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -22.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -21.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -22.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -21.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -21.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -20.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -20.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 5 2 1 0 0 0 0 M END > (COL-00325) COL-00325 > (COL-00325) x > (COL-00325) 2-Propyl-pyrimidine-5-carbaldehyde > (COL-00325) 876890-38-9 > (COL-00325) MFCD07186435 > (COL-00325) 1g > (COL-00325) 5g > (COL-00325) 10g > (COL-00325) $174.00 > (COL-00325) $579.00 > (COL-00325) $979.00 > (COL-00325) >95% $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 2.4167 3.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8417 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 12 6 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00326) COL-00326 > (COL-00326) 1-[1-(3,4-Dimethyl-phenyl)-ethyl]-piperazine > (COL-00326) MFCD03724307 > (COL-00326) 500mg > (COL-00326) 1g > (COL-00326) 5g > (COL-00326) $164.00 > (COL-00326) $229.00 > (COL-00326) $820.00 > (COL-00326) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 2.7792 2.4583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8625 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 3 10 1 0 0 0 0 M END > (COL-00327) COL-00327 > (COL-00327) x > (COL-00327) Piperazin-1-yl-acetic acid > (COL-00327) 55829-43-1 > (COL-00327) MFCD03119773 > (COL-00327) 500mg > (COL-00327) 1g > (COL-00327) 5g > (COL-00327) $159.00 > (COL-00327) $222.00 > (COL-00327) $795.00 > (COL-00327) >95% $$$$ -ISIS- 02091117132D 16 15 0 0 0 0 0 0 0 0999 V2000 6.3208 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.1583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6042 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -4.1875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 10 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 13 1 0 0 0 0 14 11 2 0 0 0 0 5 9 1 0 0 0 0 M END > (COL-00328) COL-00328 > (COL-00328) 1-(3-Methyl-pyridin-2-ylmethyl)-piperazine dihydrochloride > (COL-00328) MFCD08448114 > (COL-00328) 500mg > (COL-00328) 1g > (COL-00328) 5g > (COL-00328) $172.00 > (COL-00328) $240.00 > (COL-00328) $949.00 > (COL-00328) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 1.7542 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8375 12.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2500 12.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 7.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3292 -3.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2750 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5875 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5625 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 9 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 6 10 2 0 0 0 0 M END > (COL-00330) COL-00330 > (COL-00330) x > (COL-00330) 3-Isopropoxybenzaldehyde > (COL-00330) 75792-33-5 > (COL-00330) MFCD01922005 > (COL-00330) 500mg > (COL-00330) 1g > (COL-00330) 5g > (COL-00330) $89.00 > (COL-00330) $124.00 > (COL-00330) $489.00 > (COL-00330) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 7.3042 2.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6542 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 4.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 8 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 11 2 1 0 0 0 0 13 17 2 0 0 0 0 M END > (COL-00331) COL-00331 > (COL-00331) 1-[2-(2-Methoxy-phenoxy)-ethyl]-piperazine > (COL-00331) MFCD00438753 > (COL-00331) 500mg > (COL-00331) 1g > (COL-00331) 5g > (COL-00331) $172.00 > (COL-00331) $240.00 > (COL-00331) $860.00 > (COL-00331) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1167 2.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6542 0.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4625 5.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 4.8417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8792 6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 5.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 16 1 0 0 0 0 3 10 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 12 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 20 2 0 0 0 0 20 17 1 0 0 0 0 15 2 1 0 0 0 0 18 19 1 0 0 0 0 M END > (COL-00332) COL-00332 > (COL-00332) x > (COL-00332) 1-(2-Allyl-phenoxy)-3-piperazin-1-yl-propan-2-ol > (COL-00332) MFCD07186508 > (COL-00332) 500mg > (COL-00332) 1g > (COL-00332) 5g > (COL-00332) $172.00 > (COL-00332) $240.00 > (COL-00332) $860.00 > (COL-00332) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 2.4042 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 5.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 2.6583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3042 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 3.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 3 6 2 0 0 0 0 14 8 1 0 0 0 0 M END > (COL-00333) COL-00333 > (COL-00333) x > (COL-00333) 5-Piperazin-1-ylmethyl-furan-2-carboxylic acid > (COL-00333) MFCD07186544 > (COL-00333) 500mg > (COL-00333) 1g > (COL-00333) 5g > (COL-00333) $172.00 > (COL-00333) $240.00 > (COL-00333) $860.00 > (COL-00333) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 1.2125 4.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.7833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 5 6 1 0 0 0 0 11 13 1 0 0 0 0 M END > (COL-00334) COL-00334 > (COL-00334) x > (COL-00334) 2-(Tetrahydro-pyran-2-yl)-2H-pyrazole-3-carbaldehyde > (COL-00334) 957483-88-4 > (COL-00334) MFCD07186538 > (COL-00334) 1g > (COL-00334) 5g > (COL-00334) 10g > (COL-00334) $88.00 > (COL-00334) $308.00 > (COL-00334) $440.00 > (COL-00334) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.4500 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -8.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7375 -9.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -7.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -9.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -8.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -7.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -8.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 9 4 1 0 0 0 0 M END > (COL-00335) COL-00335 > (COL-00335) 3,3-Dimethyl-piperazin-2-one > (COL-00335) 22476-74-0 > (COL-00335) MFCD01701783 > (COL-00335) 1g > (COL-00335) 5g > (COL-00335) 10g > (COL-00335) $175.00 > (COL-00335) $579.00 > (COL-00335) $979.00 > (COL-00335) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 6.4542 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -4.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2458 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -1.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1708 -4.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 1 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 3 2 1 0 0 0 0 9 7 1 0 0 0 0 M END > (COL-00336) COL-00336 > (COL-00336) x > (COL-00336) 6-Methoxy-benzo[1,3]dioxole-5-carbaldehyde > (COL-00336) 5780-00-7 > (COL-00336) MFCD00598413 > (COL-00336) 1g > (COL-00336) 5g > (COL-00336) 10g > (COL-00336) $94.00 > (COL-00336) $288.00 > (COL-00336) $484.00 > (COL-00336) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 6.1667 4.0292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.9292 6.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 7.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 2.0583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 1.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 8.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 7.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1750 7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 7 1 0 0 0 0 10 19 1 0 0 0 0 11 9 1 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 6 1 0 0 0 0 2 3 1 0 0 0 0 18 10 1 0 0 0 0 M END > (COL-00337) COL-00337 > (COL-00337) x > (COL-00337) 1-[1-(2-Hydroxy-3-piperazin-1-yl-propyl)-2,4-dimethyl-1H-pyrrol-3-yl]-ethanone > (COL-00337) MFCD07186459 > (COL-00337) 1g > (COL-00337) 5g > (COL-00337) 10g > (COL-00337) $164.00 > (COL-00337) $427.00 > (COL-00337) $709.00 > (COL-00337) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 8.8375 -19.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -19.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8375 -19.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -18.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -19.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -19.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -18.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -19.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -18.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -19.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -19.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5292 -18.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 -19.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 8 11 1 0 0 0 0 6 2 2 0 0 0 0 M END > (COL-00338) COL-00338 > (COL-00338) x > (COL-00338) 4,6-Dichloro-2-methylquinoline > (COL-00338) 53342-53-3 > (COL-00338) MFCD00272372 > (COL-00338) 1g > (COL-00338) 5g > (COL-00338) 10g > (COL-00338) $119.00 > (COL-00338) $479.00 > (COL-00338) $545.00 > (COL-00338) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 5.5667 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -3.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.1750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 11 9 1 0 0 0 0 3 5 1 0 0 0 0 M END > (COL-00342) COL-00342 > (COL-00342) x > (COL-00342) x > (COL-00342) 6-Bromoquinazolin-4(3H)-one > (COL-00342) 32084-59-6 > (COL-00342) MFCD01219541 > (COL-00342) 1g > (COL-00342) 5g > (COL-00342) 10g > (COL-00342) $89.00 > (COL-00342) $359.00 > (COL-00342) $445.00 > (COL-00342) >98% $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 4.3960 -2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 -3.8220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8272 -3.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8272 -2.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1095 -2.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 -3.8343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -3.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 -2.1735 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 7.2603 -2.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5524 -1.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -1.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 1 2 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 9 11 1 0 0 0 0 3 4 2 0 0 0 0 M END > (COL-00343) COL-00343 > (COL-00343) x > (COL-00343) 2-Methoxypyridine-5-boronic acid hydrochloride > (COL-00343) 370864-57-6 > (COL-00343) MFCD04973740 > (COL-00343) 1g > (COL-00343) 5g > (COL-00343) 10g > (COL-00343) $146.00 > (COL-00343) $379.00 > (COL-00343) $730.00 > (COL-00343) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 4.3792 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -3.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 3 7 2 0 0 0 0 M END > (COL-00344) COL-00344 > (COL-00344) x > (COL-00344) 2'-Hydroxy-4'-methoxyacetophenone > (COL-00344) 552-41-0 > (COL-00344) MFCD00008730 > (COL-00344) 10g > (COL-00344) $29.00 > (COL-00344) >98% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 5.1042 -3.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 7 6 1 0 0 0 0 M END > (COL-00345) COL-00345 > (COL-00345) x > (COL-00345) x > (COL-00345) 2-Fluoro-5-hydroxypyridine > (COL-00345) 55758-32-2 > (COL-00345) MFCD01075040 > (COL-00345) 1g > (COL-00345) 5g > (COL-00345) 10g > (COL-00345) $94.00 > (COL-00345) $382.00 > (COL-00345) $534.00 > (COL-00345) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.5583 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5583 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.7750 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -3.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4083 -1.7792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -4.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9958 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 3 2 1 0 0 0 0 M END > (COL-00346) COL-00346 > (COL-00346) x > (COL-00346) x > (COL-00346) 3,4,5-Trichlorophenylboronic acid > (COL-00346) 862248-93-9 > (COL-00346) MFCD03095126 > (COL-00346) 1g > (COL-00346) 5g > (COL-00346) 10g > (COL-00346) $349.00 > (COL-00346) $599.00 > (COL-00346) $838.00 > (COL-00346) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.1000 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -1.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00347) COL-00347 > (COL-00347) x > (COL-00347) x > (COL-00347) 3-Chloropyridine-2-carboxylic acid > (COL-00347) 57266-69-0 > (COL-00347) MFCD01646325 > (COL-00347) 250mg > (COL-00347) 1g > (COL-00347) 5g > (COL-00347) $91.00 > (COL-00347) $149.00 > (COL-00347) $209.00 > (COL-00347) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 3.3000 -1.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 -2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.4083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 3 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 5 8 2 0 0 0 0 M END > (COL-00348) COL-00348 > (COL-00348) x > (COL-00348) x > (COL-00348) 2-Fluoro-4-methylbenzonitrile > (COL-00348) 85070-67-3 > (COL-00348) MFCD03094311 > (COL-00348) 1g > (COL-00348) 5g > (COL-00348) 10g > (COL-00348) $59.00 > (COL-00348) $198.00 > (COL-00348) $295.00 > (COL-00348) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 4.3875 -3.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -4.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 -3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 -3.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5359 -2.5933 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 -4.2562 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 -0.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 2 8 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 6 9 1 0 0 0 0 4 5 1 0 0 0 0 9 10 3 0 0 0 0 M END > (COL-00349) COL-00349 > (COL-00349) x > (COL-00349) x > (COL-00349) 5-Bromo-2-chlorobenzonitrile > (COL-00349) 57381-44-9 > (COL-00349) MFCD00672948 > (COL-00349) 1g > (COL-00349) $142.00 > (COL-00349) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.1000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -1.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -2.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5333 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 6 4 2 0 0 0 0 M END > (COL-00350) COL-00350 > (COL-00350) x > (COL-00350) x > (COL-00350) x > (COL-00350) 3-Amino-2-chloro-6-methylphenol > (COL-00350) 84540-50-1 > (COL-00350) MFCD03094650 > (COL-00350) 5g > (COL-00350) $39.00 > (COL-00350) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 4.8854 -3.0767 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 -2.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1678 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -1.8566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -2.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 -2.9974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -2.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5937 -3.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8534 -2.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 1 0 0 0 0 2 3 2 0 0 0 0 7 9 2 0 0 0 0 M END > (COL-00351) COL-00351 > (COL-00351) x > (COL-00351) x > (COL-00351) 2-Amino-1,3-thiazole-5-carboxylic acid > (COL-00351) 40283-46-3 > (COL-00351) MFCD06203554 > (COL-00351) 1g > (COL-00351) 5g > (COL-00351) 10g > (COL-00351) $57.00 > (COL-00351) $239.00 > (COL-00351) $359.00 > (COL-00351) >96% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 3.9083 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -3.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -2.1765 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0610 -1.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7695 -2.5918 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1854 -3.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 7 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 2 11 1 0 0 0 0 M CHG 2 8 1 10 -1 M END > (COL-00352) COL-00352 > (COL-00352) x > (COL-00352) 2-Hydroxy-6-methyl-3-nitropyridine > (COL-00352) 39745-39-6 > (COL-00352) MFCD03001414 > (COL-00352) 1g > (COL-00352) 5g > (COL-00352) 10g > (COL-00352) $66.00 > (COL-00352) $114.00 > (COL-00352) $194.00 > (COL-00352) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 4.8432 -2.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8881 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.4323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4843 -2.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1178 -3.7593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -3.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2571 -2.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3506 -1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7766 -3.1822 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3883 -3.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1623 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 5 6 1 0 0 0 0 M END > (COL-00354) COL-00354 > (COL-00354) x > (COL-00354) Ethyl 2-bromothiazole-4-carboxylate > (COL-00354) 100367-77-9 > (COL-00354) MFCD03788564 > (COL-00354) 1g > (COL-00354) 5g > (COL-00354) 10g > (COL-00354) $64.00 > (COL-00354) $229.00 > (COL-00354) $379.00 > (COL-00354) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 4.8125 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 -2.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5583 -1.7042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 6 5 2 0 0 0 0 M END > (COL-00355) COL-00355 > (COL-00355) x > (COL-00355) 4-Methyl-1,3-thiazole-2-carboxylic acid > (COL-00355) 14542-16-6 > (COL-00355) MFCD07377486 > (COL-00355) 1g > (COL-00355) 5g > (COL-00355) 10g > (COL-00355) $154.00 > (COL-00355) $539.00 > (COL-00355) $770.00 > (COL-00355) >95% $$$$ -ISIS- 02091117132D 8 7 0 0 0 0 0 0 0 0999 V2000 5.1734 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -3.1782 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 -2.0979 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6593 -2.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.8673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4843 -2.7657 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -0.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 M END > (COL-00356) COL-00356 > (COL-00356) x > (COL-00356) x > (COL-00356) 5-Fluorothiazol-2-amine hydrochloride > (COL-00356) 745053-64-9 > (COL-00356) MFCD09056854 > (COL-00356) 100mg > (COL-00356) $300.00 > (COL-00356) >98% $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.9414 -0.7552 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9414 0.7241 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5828 -1.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3310 -0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 -2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 1.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 2.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3448 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 0.0207 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 0.0069 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 -1.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5379 1.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9103 -0.7241 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9103 0.7379 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3138 -0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3586 -2.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 0.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 6 9 1 0 0 0 0 13 14 1 0 0 0 0 M END > (COL-00357) COL-00357 > (COL-00357) x > (COL-00357) Bis(pinacolato)diboron > (COL-00357) 73183-34-3 > (COL-00357) MFCD00799570 > (COL-00357) 10g > (COL-00357) 50g > (COL-00357) $300.00 > (COL-00357) $420.00 > (COL-00357) >99% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.7208 -1.1042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -2.3750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.1417 -1.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9917 2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 6 10 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00358) COL-00358 > (COL-00358) x > (COL-00358) 3-Nitro-N-methylaniline > (COL-00358) 619-26-1 > (COL-00358) MFCD00963641 > (COL-00358) 500mg > (COL-00358) $64.00 > (COL-00358) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.0167 -1.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2875 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00359) COL-00359 > (COL-00359) x > (COL-00359) 2,6-Dimethyl-4-hydroxypyridine > (COL-00359) 13603-44-6 > (COL-00359) MFCD00956021 > (COL-00359) 1g > (COL-00359) $28.00 > (COL-00359) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.0667 0.7583 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2250 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0667 2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6917 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 5 8 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00360) COL-00360 > (COL-00360) 3-Nitropyridine > (COL-00360) 2530-26-9 > (COL-00360) MFCD00234974 > (COL-00360) 500mg > (COL-00360) $20.00 > (COL-00360) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 8 10 2 0 0 0 0 M END > (COL-00361) COL-00361 > (COL-00361) 1,3-Diacetylbenzene > (COL-00361) 6781-42-6 > (COL-00361) MFCD00008740 > (COL-00361) 500mg > (COL-00361) $20.00 > (COL-00361) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.4500 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 5 1 0 0 0 0 4 10 2 0 0 0 0 M END > (COL-00362) COL-00362 > (COL-00362) x > (COL-00362) 3-Acetylbenzoic acid > (COL-00362) 586-42-5 > (COL-00362) MFCD00045847 > (COL-00362) 500mg > (COL-00362) $20.00 > (COL-00362) >98% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 0.0375 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -1.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 1.4875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 5 8 1 0 0 0 0 M END > (COL-00363) COL-00363 > (COL-00363) x > (COL-00363) x > (COL-00363) 2-Hydroxy-5-bromopyridine > (COL-00363) 13466-38-1 > (COL-00363) MFCD00234042 > (COL-00363) 1g > (COL-00363) $20.00 > (COL-00363) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -3.0250 -0.5083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5167 0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0792 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 2 6 1 0 0 0 0 M END > (COL-00364) COL-00364 > (COL-00364) x > (COL-00364) 3-Thiopheneacetic acid > (COL-00364) 6964-21-2 > (COL-00364) MFCD00005473 > (COL-00364) 5g > (COL-00364) $25.00 > (COL-00364) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.9000 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2542 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 5 2 2 0 0 0 0 M END > (COL-00365) COL-00365 > (COL-00365) x > (COL-00365) x > (COL-00365) 4-Hydroxybenzyl alcohol > (COL-00365) 623-05-2 > (COL-00365) MFCD00004658 > (COL-00365) 10g > (COL-00365) $20.00 > (COL-00365) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.3042 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1167 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1792 0.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 5 7 1 0 0 0 0 M END > (COL-00366) COL-00366 > (COL-00366) x > (COL-00366) 4-Ethyl-1,3-benzenediol > (COL-00366) 2896-60-8 > (COL-00366) MFCD00002283 > (COL-00366) 1g > (COL-00366) $20.00 > (COL-00366) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.8917 -0.0708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.7833 -0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7958 0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 10 11 2 0 0 0 0 M END > (COL-00367) COL-00367 > (COL-00367) x > (COL-00367) N-Phenylmethanesulfonamide > (COL-00367) 1197-22-4 > (COL-00367) MFCD00043782 > (COL-00367) 1g > (COL-00367) $20.00 > (COL-00367) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4917 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00368) COL-00368 > (COL-00368) x > (COL-00368) 2,6-Dimethoxyphenol > (COL-00368) 91-10-1 > (COL-00368) MFCD00064434 > (COL-00368) 10g > (COL-00368) $20.00 > (COL-00368) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 1 0 0 0 0 0999 V2000 1.3292 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1708 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 0.0125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7125 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8208 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 4 6 1 0 0 0 0 M END > (COL-00369) COL-00369 > (COL-00369) (4R)-(+)-4-Isopropyl-2-oxazolidinone > (COL-00369) 95530-58-8 > (COL-00369) MFCD00075172 > (COL-00369) 500mg > (COL-00369) $20.00 > (COL-00369) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.5167 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1917 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4417 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 8 10 2 0 0 0 0 M END > (COL-00370) COL-00370 > (COL-00370) x > (COL-00370) x > (COL-00370) 2-Amino-1-phenylethanol > (COL-00370) 7568-93-6 > (COL-00370) MFCD00008137 > (COL-00370) 5g > (COL-00370) $29.00 > (COL-00370) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 2.4458 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 0.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4458 2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5375 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 10 11 2 0 0 0 0 M END > (COL-00371) COL-00371 > (COL-00371) x > (COL-00371) x > (COL-00371) N-Phenylglycine > (COL-00371) 103-01-5 > (COL-00371) MFCD00014009 > (COL-00371) 10g > (COL-00371) $20.00 > (COL-00371) >98% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 0.4792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7667 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7375 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 7 5 2 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00372) COL-00372 > (COL-00372) x > (COL-00372) 1-Naphthalenemethanol > (COL-00372) 4780-79-4 > (COL-00372) MFCD00004044 > (COL-00372) 1g > (COL-00372) $20.00 > (COL-00372) >98% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.3375 -1.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7792 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 6 7 2 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00373) COL-00373 > (COL-00373) 4-Phenylpyrimidine > (COL-00373) 3438-48-0 > (COL-00373) MFCD00006111 > (COL-00373) 500mg > (COL-00373) $37.00 > (COL-00373) >96% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.0958 -0.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3833 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7667 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 12 15 2 0 0 0 0 11 14 2 0 0 0 0 M END > (COL-00374) COL-00374 > (COL-00374) x > (COL-00374) 2,2-Diphenylethylamine > (COL-00374) 3963-62-0 > (COL-00374) MFCD00008143 > (COL-00374) 1g > (COL-00374) $20.00 > (COL-00374) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0333 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4542 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 9 6 2 0 0 0 0 M END > (COL-00375) COL-00375 > (COL-00375) x > (COL-00375) 1,3-Benzenedimethanol > (COL-00375) 626-18-6 > (COL-00375) MFCD00004649 > (COL-00375) 1g > (COL-00375) $20.00 > (COL-00375) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.8333 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 1 1 0 0 0 0 12 4 1 0 0 0 0 10 3 1 0 0 0 0 M END > (COL-00376) COL-00376 > (COL-00376) x > (COL-00376) 4-Acetylbenzoic acid > (COL-00376) 586-89-0 > (COL-00376) MFCD00002561 > (COL-00376) 500mg > (COL-00376) $20.00 > (COL-00376) >97% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.2833 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 1.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8583 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 6 11 2 0 0 0 0 12 14 2 0 0 0 0 M END > (COL-00377) COL-00377 > (COL-00377) x > (COL-00377) 1-Naphthaleneacetamide > (COL-00377) 86-86-2 > (COL-00377) MFCD00004047 > (COL-00377) 10g > (COL-00377) $20.00 > (COL-00377) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.6708 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00378) COL-00378 > (COL-00378) x > (COL-00378) 1,2-Benzenedimethanol > (COL-00378) 612-14-6 > (COL-00378) MFCD00004626 > (COL-00378) 1g > (COL-00378) $23.00 > (COL-00378) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.7417 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8417 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 3 8 1 0 0 0 0 M END > (COL-00379) COL-00379 > (COL-00379) x > (COL-00379) Nipecotamide > (COL-00379) 4138-26-5 > (COL-00379) MFCD00005993 > (COL-00379) 1g > (COL-00379) $20.00 > (COL-00379) >96% $$$$ -ISIS- 02091117132D 10 11 0 0 0 0 0 0 0 0999 V2000 -2.3917 0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 6 4 2 0 0 0 0 10 9 1 0 0 0 0 M END > (COL-00380) COL-00380 > (COL-00380) Phthalazine > (COL-00380) 253-52-1 > (COL-00380) MFCD00006908 > (COL-00380) 5g > (COL-00380) $36.00 > (COL-00380) >99% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.9458 -0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9292 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 7 11 2 0 0 0 0 M END > (COL-00381) COL-00381 > (COL-00381) x > (COL-00381) 3-Methoxyphenylacetic acid > (COL-00381) 1798-09-0 > (COL-00381) MFCD00004334 > (COL-00381) 1g > (COL-00381) $20.00 > (COL-00381) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 1.8083 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 8 12 2 0 0 0 0 M END > (COL-00382) COL-00382 > (COL-00382) x > (COL-00382) 2-Ethoxybenzamide > (COL-00382) 938-73-8 > (COL-00382) MFCD00007977 > (COL-00382) 1g > (COL-00382) $20.00 > (COL-00382) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0208 -1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2042 -0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 -1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00383) COL-00383 > (COL-00383) 1,5,5-Trimethylhydantoin > (COL-00383) 6851-81-6 > (COL-00383) MFCD00040439 > (COL-00383) 5g > (COL-00383) $43.00 > (COL-00383) >98% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 1.5375 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.6583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7292 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9958 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 5 4 2 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00384) COL-00384 > (COL-00384) 3-Methyl-2-benzoxazolinone > (COL-00384) 21892-80-8 > (COL-00384) MFCD00748831 > (COL-00384) 5g > (COL-00384) 10g > (COL-00384) $35.00 > (COL-00384) $56.00 > (COL-00384) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.0833 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3917 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00385) COL-00385 > (COL-00385) x > (COL-00385) 2-Acetylbenzoic acid > (COL-00385) 577-56-0 > (COL-00385) MFCD00002475 > (COL-00385) 1g > (COL-00385) $20.00 > (COL-00385) >99% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.7458 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00386) COL-00386 > (COL-00386) x > (COL-00386) Methyl 4-methoxysalicylate > (COL-00386) 5446-02-6 > (COL-00386) MFCD00008424 > (COL-00386) 5g > (COL-00386) $20.00 > (COL-00386) >98% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -0.6625 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7042 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4958 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0833 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 12 1 0 0 0 0 11 3 1 0 0 0 0 12 4 2 0 0 0 0 11 10 2 0 0 0 0 6 8 1 0 0 0 0 M END > (COL-00387) COL-00387 > (COL-00387) x > (COL-00387) x > (COL-00387) 8-Amino-2-naphthol > (COL-00387) 118-46-7 > (COL-00387) MFCD00004031 > (COL-00387) 1g > (COL-00387) $20.00 > (COL-00387) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 1.4667 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7458 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 0.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00388) COL-00388 > (COL-00388) x > (COL-00388) x > (COL-00388) 4-Amino-2,6-dichlorophenol > (COL-00388) 5930-28-9 > (COL-00388) MFCD00007875 > (COL-00388) 10g > (COL-00388) $20.00 > (COL-00388) >97% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 1.2917 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1583 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7792 -0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 7 11 2 0 0 0 0 12 14 2 0 0 0 0 M END > (COL-00389) COL-00389 > (COL-00389) x > (COL-00389) 2-Hydroxydiphenylmethane > (COL-00389) 28994-41-4 > (COL-00389) MFCD00002242 > (COL-00389) 1g > (COL-00389) $20.00 > (COL-00389) >98% $$$$ -ISIS- 02091117132D 10 11 0 0 0 0 0 0 0 0999 V2000 -0.8333 -1.0583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 -0.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4167 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.3833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0833 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1917 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3458 1.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 6 0 0 0 6 4 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00390) COL-00390 > (COL-00390) x > (COL-00390) 3-Quinuclidinol > (COL-00390) 1619-34-7 > (COL-00390) MFCD00151326 > (COL-00390) 1g > (COL-00390) $20.00 > (COL-00390) >99% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.0333 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0333 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2708 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 9 6 2 0 0 0 0 M END > (COL-00391) COL-00391 > (COL-00391) x > (COL-00391) 2,6-Pyridinedimethanol > (COL-00391) 1195-59-1 > (COL-00391) MFCD00006351 > (COL-00391) 1g > (COL-00391) $20.00 > (COL-00391) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.1750 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3583 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6458 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2792 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1917 2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 10 1 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00392) COL-00392 > (COL-00392) x > (COL-00392) 2,3-Dimethoxybenzyl alcohol > (COL-00392) 5653-67-8 > (COL-00392) MFCD00004612 > (COL-00392) 5g > (COL-00392) 10g > (COL-00392) $21.00 > (COL-00392) $39.00 > (COL-00392) >98% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.7792 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 4 6 2 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-00393) COL-00393 > (COL-00393) x > (COL-00393) 2,3-Diaminonaphthalene > (COL-00393) 771-97-1 > (COL-00393) MFCD00004116 > (COL-00393) 500mg > (COL-00393) $22.00 > (COL-00393) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -1.2667 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 6 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (COL-00394) COL-00394 > (COL-00394) 3,4-Methylenedioxyacetophenone > (COL-00394) 3162-29-6 > (COL-00394) MFCD00005831 > (COL-00394) 1g > (COL-00394) $20.00 > (COL-00394) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.8792 0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2583 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 2 3 2 0 0 0 0 M END > (COL-00395) COL-00395 > (COL-00395) x > (COL-00395) 3-Cyclohexene-1,1-dimethanol > (COL-00395) 2160-94-3 > (COL-00395) MFCD00001575 > (COL-00395) 1g > (COL-00395) $20.00 > (COL-00395) >98% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 0.4708 1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9042 1.4958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.5167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8625 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -2.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 -0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 15 11 2 0 0 0 0 16 14 2 0 0 0 0 4 5 2 0 0 0 0 15 16 1 0 0 0 0 13 8 1 0 0 0 0 M END > (COL-00396) COL-00396 > (COL-00396) 4-(2-Keto-1-benzimidazolinyl)piperidine > (COL-00396) 20662-53-7 > (COL-00396) MFCD00005714 > (COL-00396) 500mg > (COL-00396) $28.00 > (COL-00396) >98% $$$$ -ISIS- 02091117132D 16 15 0 0 0 0 0 0 0 0999 V2000 -1.5042 -1.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1708 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -0.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 3.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 1.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9167 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 13 1 0 0 0 0 5 3 2 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 5 1 0 0 0 0 11 2 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 10 1 0 0 0 0 12 4 1 0 0 0 0 5 15 1 0 0 0 0 M END > (COL-00397) COL-00397 > (COL-00397) 1-(3-Methoxyphenyl)piperazine dihydrochloride > (COL-00397) 16015-71-7 > (COL-00397) MFCD00035285 > (COL-00397) 5g > (COL-00397) 10g > (COL-00397) $45.00 > (COL-00397) $58.00 > (COL-00397) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.7958 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -0.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0333 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -0.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2958 -1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00398) COL-00398 > (COL-00398) x > (COL-00398) x > (COL-00398) 2-Amino-4-tert-butylphenol > (COL-00398) 1199-46-8 > (COL-00398) MFCD00007698 > (COL-00398) 10g > (COL-00398) 25g > (COL-00398) $25.00 > (COL-00398) $43.00 > (COL-00398) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 1.1208 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 3 7 2 0 0 0 0 M END > (COL-00399) COL-00399 > (COL-00399) x > (COL-00399) 2,4-Dihydrooxyacetophenon > (COL-00399) 89-84-9 > (COL-00399) MFCD00002279 > (COL-00399) 10g > (COL-00399) $20.00 > (COL-00399) >=95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.7417 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00400) COL-00400 > (COL-00400) x > (COL-00400) Nicotinamide > (COL-00400) 98-92-0 > (COL-00400) MFCD00006395 > (COL-00400) 10g > (COL-00400) $20.00 > (COL-00400) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.5458 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6042 1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 3 6 2 0 0 0 0 M END > (COL-00401) COL-00401 > (COL-00401) x > (COL-00401) x > (COL-00401) 2-(4-Aminophenyl)ethan-1-ol > (COL-00401) 104-10-9 > (COL-00401) MFCD00007922 > (COL-00401) 10g > (COL-00401) $20.00 > (COL-00401) >=95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.1375 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 8 11 2 0 0 0 0 M END > (COL-00402) COL-00402 > (COL-00402) x > (COL-00402) x > (COL-00402) 2-(N-Methylamino)benzoic acid > (COL-00402) 119-68-6 > (COL-00402) MFCD00002424 > (COL-00402) 10g > (COL-00402) $20.00 > (COL-00402) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 0.9750 -0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -1.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8458 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 10 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00403) COL-00403 > (COL-00403) Niacin methyl ester > (COL-00403) 93-60-7 > (COL-00403) MFCD00006388 > (COL-00403) 10g > (COL-00403) $20.00 > (COL-00403) >96% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -0.3583 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 11 12 2 0 0 0 0 M END > (COL-00404) COL-00404 > (COL-00404) 1-Benzoylacetone > (COL-00404) 93-91-4 > (COL-00404) MFCD00008786 > (COL-00404) 10g > (COL-00404) $20.00 > (COL-00404) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 3.4583 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 3.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 5.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 4.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6542 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 9 1 0 0 0 0 5 7 1 0 0 0 0 M END > (COL-00405) COL-00405 > (COL-00405) x > (COL-00405) 4-Hydroxy-3-tert-butylanisole > (COL-00405) 121-00-6 > (COL-00405) MFCD00040484 > (COL-00405) 10g > (COL-00405) $20.00 > (COL-00405) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.7000 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 10 11 2 0 0 0 0 M END > (COL-00406) COL-00406 > (COL-00406) x > (COL-00406) Benzyl carbamate > (COL-00406) 621-84-1 > (COL-00406) MFCD00007965 > (COL-00406) 25g > (COL-00406) $20.00 > (COL-00406) >97% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 -0.0583 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 2.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 9 11 1 0 0 0 0 3 5 1 0 0 0 0 M END > (COL-00407) COL-00407 > (COL-00407) 4-Hydroxyquinazoline > (COL-00407) 491-36-1 > (COL-00407) MFCD00511302 > (COL-00407) 10g > (COL-00407) $24.00 > (COL-00407) >99% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.1625 -1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -2.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 3 5 2 0 0 0 0 M END > (COL-00408) COL-00408 > (COL-00408) 1,3,5-Trimethoxybenzene > (COL-00408) 621-23-8 > (COL-00408) MFCD00008385 > (COL-00408) 25g > (COL-00408) $30.00 > (COL-00408) >98% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 0.0000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 13 14 2 0 0 0 0 6 10 2 0 0 0 0 M END > (COL-00409) COL-00409 > (COL-00409) 2-Benzoylpyridine > (COL-00409) 91-02-1 > (COL-00409) MFCD00006300 > (COL-00409) 10g > (COL-00409) $20.00 > (COL-00409) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.5792 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00410) COL-00410 > (COL-00410) x > (COL-00410) 2-Piperidineethanol > (COL-00410) 1484-84-0 > (COL-00410) MFCD00005989 > (COL-00410) 25g > (COL-00410) $20.00 > (COL-00410) >96% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.0458 -0.3250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 8 3 1 0 0 0 0 M END > (COL-00411) COL-00411 > (COL-00411) 1-Acetylpiperazine > (COL-00411) 13889-98-0 > (COL-00411) MFCD00058676 > (COL-00411) 1g > (COL-00411) $20.00 > (COL-00411) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -1.5500 0.6875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1375 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.6500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4833 1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7833 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 2.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 8 11 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00412) COL-00412 > (COL-00412) x > (COL-00412) N-Methyl-2-nitroaniline > (COL-00412) 612-28-2 > (COL-00412) MFCD00007090 > (COL-00412) 5g > (COL-00412) $20.00 > (COL-00412) >98% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 -1.1208 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4833 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 2 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 6 5 2 0 0 0 0 M END > (COL-00413) COL-00413 > (COL-00413) 3',5'-Dimethoxyacetophenone > (COL-00413) 39151-19-4 > (COL-00413) MFCD00008739 > (COL-00413) 500mg > (COL-00413) $20.00 > (COL-00413) >97% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 -0.6208 0.0417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 10 4 1 0 0 0 0 11 12 2 0 0 0 0 M END > (COL-00414) COL-00414 > (COL-00414) 1-(2-Pyrazinyl)piperazine > (COL-00414) 34803-68-4 > (COL-00414) MFCD00040766 > (COL-00414) 500mg > (COL-00414) $20.00 > (COL-00414) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -1.7750 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2042 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 5 2 2 0 0 0 0 M END > (COL-00415) COL-00415 > (COL-00415) x > (COL-00415) 4-Ethylphenole > (COL-00415) 123-07-9 > (COL-00415) MFCD00002393 > (COL-00415) 10g > (COL-00415) $20.00 > (COL-00415) >96% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 0.0000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 7 5 2 0 0 0 0 M END > (COL-00416) COL-00416 > (COL-00416) x > (COL-00416) 2,6-Xylenol > (COL-00416) 576-26-1 > (COL-00416) MFCD00002240 > (COL-00416) 10g > (COL-00416) $20.00 > (COL-00416) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.4375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 5 2 2 0 0 0 0 M END > (COL-00417) COL-00417 > (COL-00417) Dimethylhydroquinone > (COL-00417) 150-78-7 > (COL-00417) MFCD00008401 > (COL-00417) 10g > (COL-00417) $20.00 > (COL-00417) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.8625 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 7 6 2 0 0 0 0 M END > (COL-00418) COL-00418 > (COL-00418) 4-Acetylanisole > (COL-00418) 100-06-1 > (COL-00418) MFCD00008745 > (COL-00418) 10g > (COL-00418) $20.00 > (COL-00418) >=95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -1.2542 -1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4042 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 3 6 1 0 0 0 0 M END > (COL-00419) COL-00419 > (COL-00419) x > (COL-00419) 5-Hydroxy-1,3-dimethylbenzene > (COL-00419) 108-68-9 > (COL-00419) MFCD00002307 > (COL-00419) 10g > (COL-00419) $20.00 > (COL-00419) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -1.7042 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.0417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4208 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-00420) COL-00420 > (COL-00420) x > (COL-00420) Cyclohexane-carboxylic acid > (COL-00420) 98-89-5 > (COL-00420) MFCD00001461 > (COL-00420) 10g > (COL-00420) $20.00 > (COL-00420) >96% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -2.7708 0.0458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6083 -1.1083 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3667 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 8 7 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00421) COL-00421 > (COL-00421) 4-Nitro anisole > (COL-00421) 100-17-4 > (COL-00421) MFCD00007327 > (COL-00421) 10g > (COL-00421) $20.00 > (COL-00421) >96% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.6750 -1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 -0.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4708 -0.0708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5625 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9083 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 6 4 1 0 0 0 0 M END > (COL-00422) COL-00422 > (COL-00422) x > (COL-00422) 1,4-Bis(hydroxymethyl)-cyclohexane > (COL-00422) 105-08-8 > (COL-00422) MFCD00001512 > (COL-00422) 10g > (COL-00422) $20.00 > (COL-00422) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 1.3875 -0.5750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0583 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -0.2375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8708 1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7208 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 9 10 1 0 0 0 0 M END > (COL-00423) COL-00423 > (COL-00423) x > (COL-00423) 3-Pyrrolidino-1,2-propanediol > (COL-00423) 85391-19-1 > (COL-00423) MFCD00003177 > (COL-00423) 5g > (COL-00423) 10g > (COL-00423) $29.00 > (COL-00423) $41.00 > (COL-00423) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.3708 -0.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5250 0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0083 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 9 8 1 0 0 0 0 M END > (COL-00424) COL-00424 > (COL-00424) x > (COL-00424) N-(3-Aminopropyl)pyrrolidine > (COL-00424) 23159-07-1 > (COL-00424) MFCD00014100 > (COL-00424) 1g > (COL-00424) $20.00 > (COL-00424) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.5708 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > (COL-00425) COL-00425 > (COL-00425) x > (COL-00425) 2-(2-Hydroxyethyl)pyridine > (COL-00425) 103-74-2 > (COL-00425) MFCD00006364 > (COL-00425) 1g > (COL-00425) $20.00 > (COL-00425) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.7125 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 9 10 2 0 0 0 0 M END > (COL-00426) COL-00426 > (COL-00426) x > (COL-00426) N-Allylaniline > (COL-00426) 589-09-3 > (COL-00426) MFCD00008638 > (COL-00426) 5g > (COL-00426) 10g > (COL-00426) $25.00 > (COL-00426) $35.00 > (COL-00426) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 0.6500 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1667 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 8 2 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 7 6 1 0 0 0 0 M END > (COL-00427) COL-00427 > (COL-00427) x > (COL-00427) 3-Methoxyphenethylamine > (COL-00427) 2039-67-0 > (COL-00427) MFCD00008187 > (COL-00427) 500mg > (COL-00427) $20.00 > (COL-00427) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 0.8000 -0.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6167 -0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00428) COL-00428 > (COL-00428) x > (COL-00428) 2-(Aminomethyl)-1-ethylpyrrolidine > (COL-00428) 26116-12-1 > (COL-00428) MFCD00003178 > (COL-00428) 5g > (COL-00428) $20.00 > (COL-00428) >99% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.5708 1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 7 9 2 0 0 0 0 M END > (COL-00429) COL-00429 > (COL-00429) x > (COL-00429) 2-(2-Aminoethyl)pyridine > (COL-00429) 2706-56-1 > (COL-00429) MFCD00006367 > (COL-00429) 500mg > (COL-00429) $20.00 > (COL-00429) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.5000 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 7 2 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00430) COL-00430 > (COL-00430) x > (COL-00430) 3-(Methylthio)aniline > (COL-00430) 1783-81-9 > (COL-00430) MFCD00007793 > (COL-00430) 5g > (COL-00430) $20.00 > (COL-00430) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 -3.5250 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 9 8 1 0 0 0 0 M END > (COL-00431) COL-00431 > (COL-00431) x > (COL-00431) 3-Cyclopentyl-1-propanol > (COL-00431) 767-05-5 > (COL-00431) MFCD00001393 > (COL-00431) 500mg > (COL-00431) $20.00 > (COL-00431) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 2.5333 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -0.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 11 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 7 12 1 0 0 0 0 M END > (COL-00432) COL-00432 > (COL-00432) x > (COL-00432) x > (COL-00432) 3-(Trifluoromethyl)benzylamine > (COL-00432) 2740-83-2 > (COL-00432) MFCD00008117 > (COL-00432) 1g > (COL-00432) $20.00 > (COL-00432) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.7208 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -0.4542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 9 10 1 0 0 0 0 M END > (COL-00433) COL-00433 > (COL-00433) x > (COL-00433) Allylcyclohexylamine > (COL-00433) 6628-00-8 > (COL-00433) MFCD00003836 > (COL-00433) 1g > (COL-00433) $20.00 > (COL-00433) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 2.5333 -0.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.7625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -1.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7167 -0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 7 12 1 0 0 0 0 M END > (COL-00434) COL-00434 > (COL-00434) x > (COL-00434) x > (COL-00434) 3-(Trifluoromethyl)benzyl alcohol > (COL-00434) 349-75-7 > (COL-00434) MFCD00004645 > (COL-00434) 1g > (COL-00434) $20.00 > (COL-00434) >98% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 1.9292 1.0375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5667 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00435) COL-00435 > (COL-00435) x > (COL-00435) 2-(2-Thienyl)ethanol > (COL-00435) 5402-55-1 > (COL-00435) MFCD00005462 > (COL-00435) 1g > (COL-00435) $20.00 > (COL-00435) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -0.0625 0.7292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1750 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 11 12 2 0 0 0 0 M END > (COL-00436) COL-00436 > (COL-00436) x > (COL-00436) 2-(Phenylsulfonyl)ethanol > (COL-00436) 20611-21-6 > (COL-00436) MFCD00134179 > (COL-00436) 1g > (COL-00436) $20.00 > (COL-00436) >96% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 0.4250 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 0.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7792 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 9 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 8 4 1 0 0 0 0 M END > (COL-00437) COL-00437 > (COL-00437) Ethyl N-piperazinecarboxylate > (COL-00437) 120-43-4 > (COL-00437) MFCD00005964 > (COL-00437) 10g > (COL-00437) $20.00 > (COL-00437) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 0.5750 -0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9833 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > (COL-00438) COL-00438 > (COL-00438) x > (COL-00438) Cyclohexenylethylamine > (COL-00438) 3399-73-3 > (COL-00438) MFCD00012058 > (COL-00438) 10g > (COL-00438) $20.00 > (COL-00438) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.2417 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00439) COL-00439 > (COL-00439) Methyl 2-furoate > (COL-00439) 611-13-2 > (COL-00439) MFCD00003236 > (COL-00439) 10g > (COL-00439) $20.00 > (COL-00439) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.5875 -0.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3000 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3833 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 9 7 1 0 0 0 0 M END > (COL-00440) COL-00440 > (COL-00440) x > (COL-00440) N-(3'-Aminopropyl)-2-pyrrolidinone > (COL-00440) 7663-77-6 > (COL-00440) MFCD00003201 > (COL-00440) 1g > (COL-00440) $20.00 > (COL-00440) >=95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.0917 0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 0.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8875 1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2583 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00441) COL-00441 > (COL-00441) x > (COL-00441) 3,5,5-Trimethyl-2-cyclohexen-1-ol > (COL-00441) 470-99-5 > (COL-00441) MFCD00001554 > (COL-00441) 5g > (COL-00441) $20.00 > (COL-00441) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 5.8250 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5375 0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1083 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -0.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8250 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8333 1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 6 4 1 0 0 0 0 M END > (COL-00442) COL-00442 > (COL-00442) x > (COL-00442) 4-Amino-2,2,6,6-tetramethylpiperidine > (COL-00442) 36768-62-4 > (COL-00442) MFCD00005984 > (COL-00442) 1g > (COL-00442) $20.00 > (COL-00442) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.6417 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 -0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 10 7 1 0 0 0 0 M END > (COL-00443) COL-00443 > (COL-00443) 2-Acetylcyclohexanone > (COL-00443) 874-23-7 > (COL-00443) MFCD00001633 > (COL-00443) 1g > (COL-00443) $20.00 > (COL-00443) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 6.0125 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2333 0.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8333 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0458 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > (COL-00444) COL-00444 > (COL-00444) Ethyl 3-piperidinecarboxylate > (COL-00444) 5006-62-2 > (COL-00444) MFCD00005991 > (COL-00444) 10g > (COL-00444) $20.00 > (COL-00444) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 4.7167 0.6542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 0.3667 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8542 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00445) COL-00445 > (COL-00445) 4-Methyl-3-nitroanisole > (COL-00445) 17484-36-5 > (COL-00445) MFCD00007173 > (COL-00445) 500mg > (COL-00445) $20.00 > (COL-00445) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 4.2333 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6583 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3583 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 9 7 1 0 0 0 0 M END > (COL-00446) COL-00446 > (COL-00446) x > (COL-00446) Benzeneethanamine > (COL-00446) 51-63-8 > (COL-00446) MFCD00008184 > (COL-00446) 10g > (COL-00446) $20.00 > (COL-00446) >96% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.4417 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 10 9 1 0 0 0 0 M END > (COL-00447) COL-00447 > (COL-00447) x > (COL-00447) 3-Phenylpropanol > (COL-00447) 122-97-4 > (COL-00447) MFCD00002950 > (COL-00447) 10g > (COL-00447) $20.00 > (COL-00447) >96% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.8250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00448) COL-00448 > (COL-00448) 1,3-Dimethoxybenzene > (COL-00448) 151-10-0 > (COL-00448) MFCD00008384 > (COL-00448) 10g > (COL-00448) $20.00 > (COL-00448) >97% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.4458 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5250 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3583 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8458 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00449) COL-00449 > (COL-00449) x > (COL-00449) 2-Phenoxy-ethanol > (COL-00449) 122-99-6 > (COL-00449) MFCD00002857 > (COL-00449) 10g > (COL-00449) $20.00 > (COL-00449) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 0.0000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 7 5 2 0 0 0 0 M END > (COL-00450) COL-00450 > (COL-00450) x > (COL-00450) 2,6-Xylidine > (COL-00450) 87-62-7 > (COL-00450) MFCD00007747 > (COL-00450) 10g > (COL-00450) $20.00 > (COL-00450) >97% $$$$ -ISIS- 02091117132D 12 10 0 0 0 0 0 0 0 0999 V2000 6.4417 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.6625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 1.6042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 1.2917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00451) COL-00451 > (COL-00451) x > (COL-00451) x > (COL-00451) N,N-Dimethylbenzene-1,4-diamine dihydrochloride > (COL-00451) 536-46-9 > (COL-00451) MFCD00007860 > (COL-00451) 10g > (COL-00451) $20.00 > (COL-00451) >96% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 4.7417 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -0.1625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9375 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00452) COL-00452 > (COL-00452) x > (COL-00452) 2-Phenyl propionic acid > (COL-00452) 492-37-5 > (COL-00452) MFCD00002650 > (COL-00452) 500mg > (COL-00452) $20.00 > (COL-00452) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 7.1125 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 6 2 1 0 0 0 0 M END > (COL-00453) COL-00453 > (COL-00453) x > (COL-00453) 4-Methoxyphenethyl alcohol > (COL-00453) 702-23-8 > (COL-00453) MFCD00002900 > (COL-00453) 5g > (COL-00453) $20.00 > (COL-00453) >96% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 6.0500 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7958 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 6 9 1 0 0 0 0 12 10 2 0 0 0 0 M END > (COL-00454) COL-00454 > (COL-00454) x > (COL-00454) 1-Naphthalenemethylamine > (COL-00454) 118-31-0 > (COL-00454) MFCD00004048 > (COL-00454) 500mg > (COL-00454) $20.00 > (COL-00454) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.3833 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -0.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 2 5 1 0 0 0 0 M END > (COL-00455) COL-00455 > (COL-00455) x > (COL-00455) 4-(Methylthio)aniline > (COL-00455) 104-96-1 > (COL-00455) MFCD00007889 > (COL-00455) 1g > (COL-00455) $20.00 > (COL-00455) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.5250 -1.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 1.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 8 3 2 0 0 0 0 M END > (COL-00456) COL-00456 > (COL-00456) x > (COL-00456) 4-(Ethylaminomethyl)pyridine > (COL-00456) 33403-97-3 > (COL-00456) MFCD00023632 > (COL-00456) 5g > (COL-00456) $20.00 > (COL-00456) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 6.9125 -0.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1875 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 -0.3208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -0.0042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3208 -1.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 13 8 2 0 0 0 0 M END > (COL-00457) COL-00457 > (COL-00457) x > (COL-00457) x > (COL-00457) 3-(Trifluoromethoxy)benzylamine > (COL-00457) 93071-75-1 > (COL-00457) MFCD00061267 > (COL-00457) 500mg > (COL-00457) $20.00 > (COL-00457) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.1083 -0.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7208 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2958 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 2 7 1 0 0 0 0 M END > (COL-00458) COL-00458 > (COL-00458) x > (COL-00458) 4-(2-Aminoethyl)morpholine > (COL-00458) 2038-03-1 > (COL-00458) MFCD00006182 > (COL-00458) 25g > (COL-00458) $28.00 > (COL-00458) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.5417 -0.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9292 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 2 7 1 0 0 0 0 M END > (COL-00459) COL-00459 > (COL-00459) x > (COL-00459) 1-(2-Aminoethyl)piperazine > (COL-00459) 140-31-8 > (COL-00459) MFCD00005971 > (COL-00459) 25g > (COL-00459) $20.00 > (COL-00459) >98% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.5417 -0.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9292 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 2 7 1 0 0 0 0 M END > (COL-00460) COL-00460 > (COL-00460) x > (COL-00460) N-(2-Hydroxyethyl)piperazine > (COL-00460) 103-76-4 > (COL-00460) MFCD00005970 > (COL-00460) 25g > (COL-00460) $20.00 > (COL-00460) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.4417 -0.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9875 0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5208 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5833 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 2 9 1 0 0 0 0 M END > (COL-00461) COL-00461 > (COL-00461) x > (COL-00461) N-(3-Aminopropyl)morpholine > (COL-00461) 123-00-2 > (COL-00461) MFCD00006184 > (COL-00461) 25g > (COL-00461) $20.00 > (COL-00461) >99% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 -3.6417 0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 -0.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6417 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1417 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5708 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 10 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 9 4 1 0 0 0 0 12 13 2 0 0 0 0 M END > (COL-00462) COL-00462 > (COL-00462) 4-Benzylpiperidine > (COL-00462) 31252-42-3 > (COL-00462) MFCD00006006 > (COL-00462) 25g > (COL-00462) $20.00 > (COL-00462) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.2583 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00463) COL-00463 > (COL-00463) Benzoic acid methyl ester > (COL-00463) 93-58-3 > (COL-00463) MFCD00008421 > (COL-00463) 25g > (COL-00463) $20.00 > (COL-00463) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.0042 -1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8708 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9458 0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 5 9 2 0 0 0 0 M END > (COL-00464) COL-00464 > (COL-00464) 4-Methoxyphenylacetone > (COL-00464) 122-84-9 > (COL-00464) MFCD00008773 > (COL-00464) 25g > (COL-00464) $20.00 > (COL-00464) >98% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 4.9125 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 0.9208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9958 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2458 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 3 5 2 0 0 0 0 M END > (COL-00465) COL-00465 > (COL-00465) x > (COL-00465) x > (COL-00465) 4-Amino-2-methyl-3-N-propyl-2H-pyrazole-3-carboxylic acid amide > (COL-00465) 139756-02-8 > (COL-00465) MFCD02927682 > (COL-00465) 1g > (COL-00465) $27.00 > (COL-00465) >95% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 5.9917 -6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 -6.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 -5.5375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -6.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -5.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00466) COL-00466 > (COL-00466) x > (COL-00466) x > (COL-00466) 2-Amino-3-bromopyridine > (COL-00466) 13534-99-1 > (COL-00466) MFCD03095187 > (COL-00466) 1g > (COL-00466) 5g > (COL-00466) $51.00 > (COL-00466) $178.00 > (COL-00466) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.6875 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 1.5333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -1.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 0.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 3 4 1 0 0 0 0 M END > (COL-00467) COL-00467 > (COL-00467) x > (COL-00467) x > (COL-00467) 5-Amino-3-methyl-isothiazole-4-carbonitrile > (COL-00467) 41808-35-9 > (COL-00467) MFCD03422694 > (COL-00467) 1g > (COL-00467) 5g > (COL-00467) $229.00 > (COL-00467) $910.00 > (COL-00467) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 5.0458 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 0.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1958 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 1.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -0.1708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 1.2708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.9750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9167 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 1 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 2 13 2 0 0 0 0 M END > (COL-00468) COL-00468 > (COL-00468) x > (COL-00468) x > (COL-00468) x > (COL-00468) 2-Amino-3-trifluoromethyl-benzoic acid > (COL-00468) 313-12-2 > (COL-00468) MFCD00274210 > (COL-00468) 1g > (COL-00468) $25 > (COL-00468) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 14.9125 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0792 -0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0792 -3.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3125 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5292 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1042 -3.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 5 4 1 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00469) COL-00469 > (COL-00469) x > (COL-00469) 2-Amino-6-methoxybenzothiophene > (COL-00469) 1747-60-0 > (COL-00469) MFCD00005787 > (COL-00469) 1g > (COL-00469) $44.00 > (COL-00469) >95% $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 1.5583 0.5333 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8458 0.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -1.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1208 1.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 9 8 1 0 0 0 0 M END > (COL-00470) COL-00470 > (COL-00470) x > (COL-00470) x > (COL-00470) 4-Aminomethylphenylboronic acid hydrochloride > (COL-00470) 75705-21-4 > (COL-00470) MFCD01632199 > (COL-00470) 1g > (COL-00470) 5g > (COL-00470) $26.00 > (COL-00470) $92.00 > (COL-00470) >95% $$$$ -ISIS- 02091117132D 7 7 0 0 0 0 0 0 0 0999 V2000 5.9542 -6.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -6.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -5.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 7 5 1 0 0 0 0 M END > (COL-00471) COL-00471 > (COL-00471) x > (COL-00471) 3-Aminopyridazine > (COL-00471) 5469-70-5 > (COL-00471) MFCD01529869 > (COL-00471) 1g > (COL-00471) 5g > (COL-00471) $85.00 > (COL-00471) $165.00 > (COL-00471) >95% $$$$ -ISIS- 02091117132D 8 7 0 0 0 0 0 0 0 0999 V2000 4.3208 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00472) COL-00472 > (COL-00472) x > (COL-00472) 3-Aminopyridazine hydrochloride > (COL-00472) 89203-22-5 > (COL-00472) MFCD07368609 > (COL-00472) 1g > (COL-00472) 5g > (COL-00472) $79.00 > (COL-00472) $299.00 > (COL-00472) >95% $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 6.1917 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3458 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -1.7708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.3417 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7458 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 -3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -4.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 9 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 11 5 2 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-00473) COL-00473 > (COL-00473) x > (COL-00473) x > (COL-00473) 4-(Benzyloxy)-3-chlorobenzaldehyde > (COL-00473) 66422-84-2 > (COL-00473) MFCD00831645 > (COL-00473) 1g > (COL-00473) 5g > (COL-00473) $31.00 > (COL-00473) $108.00 > (COL-00473) >95% $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 5.0125 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4458 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7208 2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.7583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9917 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 -1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 16 1 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 8 12 1 0 0 0 0 25 21 2 0 0 0 0 24 23 2 0 0 0 0 M END > (COL-00474) COL-00474 > (COL-00474) x > (COL-00474) 2-Benzyloxy-5-bromo-benzoic acid benzyl ester > (COL-00474) 850350-09-3 > (COL-00474) MFCD07778493 > (COL-00474) 1g > (COL-00474) 5g > (COL-00474) $92.00 > (COL-00474) $450.00 > (COL-00474) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 3.8333 -0.6708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5542 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -0.2625 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8458 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 1.8208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7042 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 0.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 11 1 0 0 0 0 4 7 2 0 0 0 0 M CHG 2 1 1 5 -1 M END > (COL-00475) COL-00475 > (COL-00475) x > (COL-00475) 2-Bromo-1-(2-fluoro-ethoxy)-4-nitro-benzene > (COL-00475) 191602-70-7 > (COL-00475) MFCD08706180 > (COL-00475) 250mg > (COL-00475) 1g > (COL-00475) $294.00 > (COL-00475) $494.00 > (COL-00475) >95% $$$$ -ISIS- 02091117132D 14 16 0 0 0 0 0 0 0 0999 V2000 6.8208 0.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0375 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6458 1.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8208 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 -0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.1667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 6 2 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 9 3 1 0 0 0 0 13 14 1 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00476) COL-00476 > (COL-00476) x > (COL-00476) 5-Bromo-1,1-(ethylenedithio)-indane > (COL-00476) 850349-56-3 > (COL-00476) MFCD08457961 > (COL-00476) 250mg > (COL-00476) 1g > (COL-00476) $294.00 > (COL-00476) $492.00 > (COL-00476) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.4583 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -3.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7000 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -3.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -2.3833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -3.0948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 -3.8108 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 5 7 2 0 0 0 0 4 11 1 0 0 0 0 2 1 2 0 0 0 0 4 12 1 0 0 0 0 M END > (COL-00477) COL-00477 > (COL-00477) x > (COL-00477) 4-Bromo-1-difluoromethoxy-2-fluoro-benzene > (COL-00477) 147992-27-6 > (COL-00477) MFCD11036067 > (COL-00477) 1g > (COL-00477) 5g > (COL-00477) $494.00 > (COL-00477) $1,494.00 > (COL-00477) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.4583 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6333 -2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -3.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8708 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8708 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9375 -2.3833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 -3.0948 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 -3.8108 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 5 7 2 0 0 0 0 3 11 1 0 0 0 0 2 1 1 0 0 0 0 3 12 1 0 0 0 0 M END > (COL-00478) COL-00478 > (COL-00478) x > (COL-00478) 4-Bromo-1-difluoromethoxy-2-methyl-benzene > (COL-00478) 888327-32-0 > (COL-00478) MFCD11036069 > (COL-00478) 1g > (COL-00478) 5g > (COL-00478) $494.00 > (COL-00478) $1,994.00 > (COL-00478) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 6.0292 -2.8208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.4417 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -3.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -2.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 -4.2542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -2.8186 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6833 -1.3897 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 11 9 1 0 0 0 0 6 12 1 0 0 0 0 2 1 1 0 0 0 0 6 13 1 0 0 0 0 M END > (COL-00479) COL-00479 > (COL-00479) x > (COL-00479) 1-Bromo-2-(2,2-difluoroethylsulfinyl)benzene > (COL-00479) 1162256-88-3 > (COL-00479) MFCD11848783 > (COL-00479) 250mg > (COL-00479) 1g > (COL-00479) $194.00 > (COL-00479) $494.00 > (COL-00479) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.1292 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 0.1750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -1.2625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 1.6083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00480) COL-00480 > (COL-00480) x > (COL-00480) 1-Bromo-2,3-dichlorobenzene > (COL-00480) 56961-77-4 > (COL-00480) MFCD00000536 > (COL-00480) 1g > (COL-00480) $44.00 > (COL-00480) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.7250 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7250 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -3.7542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -2.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 -2.0866 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 -3.3250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 9 7 1 0 0 0 0 4 11 1 0 0 0 0 2 1 1 0 0 0 0 4 12 1 0 0 0 0 M END > (COL-00481) COL-00481 > (COL-00481) x > (COL-00481) 4-Bromo-2-difluoromethoxy-1-fluoro-benzene > (COL-00481) 954235-78-0 > (COL-00481) MFCD11036068 > (COL-00481) 1g > (COL-00481) 5g > (COL-00481) $494.00 > (COL-00481) $1,494.00 > (COL-00481) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.8292 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -3.7542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -2.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -2.0866 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 -3.3250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 9 7 1 0 0 0 0 4 11 1 0 0 0 0 2 1 1 0 0 0 0 4 12 1 0 0 0 0 M END > (COL-00482) COL-00482 > (COL-00482) x > (COL-00482) 1-Bromo-2-difluoromethyl-4-fluoro-benzene > (COL-00482) 954235-83-7 > (COL-00482) MFCD11036070 > (COL-00482) 1g > (COL-00482) 5g > (COL-00482) $494.00 > (COL-00482) $1,994.00 > (COL-00482) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 3.8167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -0.2000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 7 6 1 0 0 0 0 M END > (COL-00483) COL-00483 > (COL-00483) x > (COL-00483) 3-Bromo-2-fluorotoluene > (COL-00483) 59907-12-9 > (COL-00483) MFCD04972694 > (COL-00483) 1g > (COL-00483) 5g > (COL-00483) $55.00 > (COL-00483) $188.00 > (COL-00483) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 6.8875 0.5875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1667 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 0.1750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7375 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.0750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 9 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 3 7 1 0 0 0 0 M CHG 2 1 1 6 -1 M END > (COL-00484) COL-00484 > (COL-00484) x > (COL-00484) 6-Bromo-2-methyl-3-nitro-pyridine > (COL-00484) 22282-96-8 > (COL-00484) MFCD03095219 > (COL-00484) 5g > (COL-00484) $47.00 > (COL-00484) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 6.3875 -0.5250 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9625 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.2167 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7208 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 0.9083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 0.1958 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 9 7 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (COL-00485) COL-00485 > (COL-00485) x > (COL-00485) x > (COL-00485) 4-Bromo-2-nitro-benzyl bromide > (COL-00485) 82420-34-6 > (COL-00485) MFCD07779494 > (COL-00485) 5g > (COL-00485) $111.00 > (COL-00485) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 6.8917 0.5292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1708 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 0.1167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8917 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0208 0.5250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4583 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 6 10 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (COL-00486) COL-00486 > (COL-00486) x > (COL-00486) 1-Bromo-3-nitrobenzene > (COL-00486) 585-79-5 > (COL-00486) MFCD00024298 > (COL-00486) 1g > (COL-00486) 5g > (COL-00486) $44.00 > (COL-00486) $85.00 > (COL-00486) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 4.6458 0.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3667 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -0.0375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 1.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 1.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 0.6792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 4 6 1 0 0 0 0 M END > (COL-00487) COL-00487 > (COL-00487) x > (COL-00487) x > (COL-00487) 3-Bromo-5-trifluoromethyl-pyridin-2-ylamine > (COL-00487) 79456-30-7 > (COL-00487) MFCD07375382 > (COL-00487) 1g > (COL-00487) 5g > (COL-00487) $28.00 > (COL-00487) $116.00 > (COL-00487) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 5.6333 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 1.0083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00488) COL-00488 > (COL-00488) x > (COL-00488) 3-Bromo-6-methoxy-2-methyl-pyridine > (COL-00488) 126717-59-7 > (COL-00488) MFCD03094943 > (COL-00488) 1g > (COL-00488) 5g > (COL-00488) $23.00 > (COL-00488) $104.00 > (COL-00488) >95% $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 4.6667 -0.8458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.9458 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 2.7375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 14 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 2 2 0 0 0 0 12 6 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 6 2 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 19 2 0 0 0 0 20 17 1 0 0 0 0 8 13 1 0 0 0 0 M END > (COL-00489) COL-00489 > (COL-00489) x > (COL-00489) x > (COL-00489) N-(4-Bromo-benzyl)-2-methoxy-benzenesulfonamine > (COL-00489) 864685-53-0 > (COL-00489) MFCD08062356 > (COL-00489) 1g > (COL-00489) 5g > (COL-00489) $192.00 > (COL-00489) $549.00 > (COL-00489) >99% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 6.1708 0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3583 0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 1.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4250 1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -0.7417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.7833 1.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 2.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00490) COL-00490 > (COL-00490) x > (COL-00490) (2-Bromophenyl)(2,2-difluoroethyl)sulfane > (COL-00490) 1026796-99-5 > (COL-00490) MFCD11520062 > (COL-00490) 250mg > (COL-00490) 1g > (COL-00490) $294.00 > (COL-00490) $494.00 > (COL-00490) >95% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 3.9417 0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5208 0.9375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 10 2 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 5 11 2 0 0 0 0 8 7 1 0 0 0 0 M END > (COL-00491) COL-00491 > (COL-00491) x > (COL-00491) 6-Bromo-phthalazine > (COL-00491) 19064-74-5 > (COL-00491) MFCD08706238 > (COL-00491) 250mg > (COL-00491) 1g > (COL-00491) $494.00 > (COL-00491) $679.00 > (COL-00491) >95% $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 7.1458 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1458 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.9750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 4 6 1 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00492) COL-00492 > (COL-00492) x > (COL-00492) 5-Bromophthalide > (COL-00492) 64169-34-2 > (COL-00492) MFCD01797360 > (COL-00492) 1g > (COL-00492) $33.00 > (COL-00492) >95% $$$$ -ISIS- 02091117132D 20 20 0 0 0 0 0 0 0 0999 V2000 3.7042 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 0.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1375 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4458 -1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 8 1 0 0 0 0 15 8 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 20 19 2 0 0 0 0 M END > (COL-00493) COL-00493 > (COL-00493) x > (COL-00493) 2-[(tert-Butoxy)carbonylamino]-N-(phenylmethoxy)acetamide > (COL-00493) 63648-89-5 > (COL-00493) MFCD02327385 > (COL-00493) 1g > (COL-00493) $72.00 > (COL-00493) >97% $$$$ -ISIS- 02091117132D 21 21 0 0 0 0 0 0 0 0999 V2000 5.5042 -6.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -5.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -5.7542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1042 -7.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -5.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -5.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -7.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.9792 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2292 -8.5917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7917 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5667 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -7.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -8.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 6 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 18 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 10 1 0 0 0 0 20 10 1 0 0 0 0 21 10 1 0 0 0 0 12 17 1 0 0 0 0 M END > (COL-00494) COL-00494 > (COL-00494) x > (COL-00494) x > (COL-00494) (S)-tert-Butyl 1-(hydroxyamino)-3-(4-bromophenyl)-1-oxopropan-2-ylcarbamate > (COL-00494) 864876-00-6 > (COL-00494) MFCD07778485 > (COL-00494) 5g > (COL-00494) $440.00 > (COL-00494) >95% $$$$ -ISIS- 02091117132D 9 8 0 0 0 0 0 0 0 0999 V2000 6.0375 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7500 1.5250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 M END > (COL-00495) COL-00495 > (COL-00495) x > (COL-00495) tert-Butyl bromoacetate > (COL-00495) 5292-43-3 > (COL-00495) MFCD00000188 > (COL-00495) 1g > (COL-00495) $39.00 > (COL-00495) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 4.1708 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -3.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8875 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7583 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00496) COL-00496 > (COL-00496) x > (COL-00496) x > (COL-00496) 4-Carboxybenzaldehyde > (COL-00496) 619-66-9 > (COL-00496) MFCD00006951 > (COL-00496) 1g > (COL-00496) $44.00 > (COL-00496) >95% $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 6.0708 0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5875 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3083 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8958 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 5 4 1 0 0 0 0 15 14 2 0 0 0 0 M END > (COL-00497) COL-00497 > (COL-00497) x > (COL-00497) N-(Carboxymethyl)-phthalimide > (COL-00497) 4702-13-0 > (COL-00497) MFCD00005900 > (COL-00497) 500mg > (COL-00497) 1g > (COL-00497) $79.00 > (COL-00497) $99.00 > (COL-00497) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 7.1417 0.1375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3292 -0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 0.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 0.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -0.6750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2708 -0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 1.0167 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -0.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 10 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 6 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00498) COL-00498 > (COL-00498) x > (COL-00498) 1-Chloro-2-iodo-4-(trifluoromethyl)benzene > (COL-00498) 672-57-1 > (COL-00498) MFCD00001037 > (COL-00498) 5g > (COL-00498) $74.00 > (COL-00498) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 6.0833 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 0.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5250 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8833 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 9 7 1 0 0 0 0 13 12 1 0 0 0 0 M END > (COL-00499) COL-00499 > (COL-00499) x > (COL-00499) 7-Chloro-3,4-dihydro-2H-benzo[b]oxepin-5-one > (COL-00499) 55579-90-3 > (COL-00499) MFCD01648758 > (COL-00499) 1g > (COL-00499) 5g > (COL-00499) 10g > (COL-00499) $192.00 > (COL-00499) $949.00 > (COL-00499) $1,227.00 > (COL-00499) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 5.8167 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -4.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2417 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -5.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -3.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -4.6417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 -5.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -5.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -4.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -6.7625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 4 7 1 0 0 0 0 M END > (COL-00500) COL-00500 > (COL-00500) x > (COL-00500) x > (COL-00500) 2-Chloro-4-bromo-6-trifluoromethoxyaniline > (COL-00500) 885266-98-8 > (COL-00500) MFCD08236694 > (COL-00500) 1g > (COL-00500) 5g > (COL-00500) $92.00 > (COL-00500) $289.00 > (COL-00500) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 5.8833 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8833 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7333 -0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 5 4 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00501) COL-00501 > (COL-00501) x > (COL-00501) 6-Chloro-7-methyl isatin > (COL-00501) 6374-90-9 > (COL-00501) MFCD00047220 > (COL-00501) 1g > (COL-00501) $140 > (COL-00501) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 7.7708 2.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 3 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 6 4 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 4 2 2 0 0 0 0 M END > (COL-00502) COL-00502 > (COL-00502) x > (COL-00502) x > (COL-00502) (6-Chloro-pyridin-3-yl)-acetonitrile > (COL-00502) 33252-28-7 > (COL-00502) MFCD04112495 > (COL-00502) 1g > (COL-00502) $92.00 > (COL-00502) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.5667 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 1.0083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2833 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 7 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 2 3 2 0 0 0 0 M END > (COL-00503) COL-00503 > (COL-00503) x > (COL-00503) x > (COL-00503) (5-Chloro-pyridin-3-yl)-methanol > (COL-00503) 22620-34-4 > (COL-00503) MFCD09743969 > (COL-00503) 1g > (COL-00503) 5g > (COL-00503) $239.00 > (COL-00503) $949.00 > (COL-00503) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 3.5375 0.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -0.8875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 4 1 0 0 0 0 4 7 1 0 0 0 0 5 3 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00504) COL-00504 > (COL-00504) x > (COL-00504) x > (COL-00504) 4-Cyanophenacyl bromide > (COL-00504) 20099-89-2 > (COL-00504) MFCD00052931 > (COL-00504) 1g > (COL-00504) $39.00 > (COL-00504) >97% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 7.7167 0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 0.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4958 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 -0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 13 1 0 0 0 0 8 5 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 10 11 1 0 0 0 0 M END > (COL-00505) COL-00505 > (COL-00505) x > (COL-00505) Cyclododecanol > (COL-00505) 1724-39-6 > (COL-00505) MFCD00003717 > (COL-00505) 1g > (COL-00505) $44.00 > (COL-00505) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 6.1667 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 0.5875 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1667 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 0.1750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8875 1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.0792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 0.5833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 4 9 1 0 0 0 0 M CHG 2 2 1 6 -1 M END > (COL-00506) COL-00506 > (COL-00506) x > (COL-00506) 2,5-Dibromo-3-nitro-pyridine > (COL-00506) 15862-37-0 > (COL-00506) MFCD09266223 > (COL-00506) 1g > (COL-00506) $71.00 > (COL-00506) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 8.1708 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4542 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -0.6292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 1.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 3 0 0 0 0 4 6 1 0 0 0 0 5 8 2 0 0 0 0 6 10 2 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 4 2 2 0 0 0 0 M END > (COL-00507) COL-00507 > (COL-00507) x > (COL-00507) x > (COL-00507) 3,4-Dichlorophenylacetonitrile > (COL-00507) 3218-49-3 > (COL-00507) MFCD00001909 > (COL-00507) 5g > (COL-00507) $74.00 > (COL-00507) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 5.6250 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 9 12 1 0 0 0 0 8 10 1 0 0 0 0 M END > (COL-00508) COL-00508 > (COL-00508) 3,4-Dihydro-2H-benzo[b]oxepin-5-one > (COL-00508) 6786-30-7 > (COL-00508) MFCD01648756 > (COL-00508) 1g > (COL-00508) 5g > (COL-00508) $192.00 > (COL-00508) $928.00 > (COL-00508) >95% $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 6.1125 -3.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6833 -2.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.3000 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4958 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1458 -2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 7 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 20 16 2 0 0 0 0 21 19 2 0 0 0 0 3 5 2 0 0 0 0 21 20 1 0 0 0 0 14 12 1 0 0 0 0 M END > (COL-00509) COL-00509 > (COL-00509) x > (COL-00509) [3-(2,5-dimethylphenyl)-1-phenylpyrazol-4-yl]formaldehyde > (COL-00509) 431073-03-9 > (COL-00509) MFCD03139889 > (COL-00509) 1g > (COL-00509) $72.00 > (COL-00509) >95% $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 5.9833 0.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7083 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5958 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 12 11 1 0 0 0 0 5 4 2 0 0 0 0 M END > (COL-00510) COL-00510 > (COL-00510) 7,12-Dioxa-spiro[5.6]dodec-9-ene > (COL-00510) 4747-01-7 > (COL-00510) MFCD00031031 > (COL-00510) 1g > (COL-00510) 5g > (COL-00510) $494.00 > (COL-00510) $1,994.00 > (COL-00510) >95% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 5.9792 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1833 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6083 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 6 2 0 0 0 0 12 7 2 0 0 0 0 M END > (COL-00511) COL-00511 > (COL-00511) x > (COL-00511) 2-(2-Ethoxy-phenoxy)-ethylamine > (COL-00511) 6781-17-5 > (COL-00511) MFCD06657756 > (COL-00511) 1g > (COL-00511) 5g > (COL-00511) $72.00 > (COL-00511) $224.00 > (COL-00511) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 8.3417 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -3.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0500 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 4 3 2 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00512) COL-00512 > (COL-00512) 6-Ethyl isatin > (COL-00512) 90924-07-5 > (COL-00512) MFCD03844812 > (COL-00512) 250mg > (COL-00512) 1g > (COL-00512) $134.00 > (COL-00512) $392.00 > (COL-00512) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 4.2542 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7333 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9708 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 6 8 1 0 0 0 0 M END > (COL-00513) COL-00513 > (COL-00513) 4'-Ethylacetophenone > (COL-00513) 937-30-4 > (COL-00513) MFCD00009262 > (COL-00513) 1g > (COL-00513) 5g > (COL-00513) $39.00 > (COL-00513) $74.00 > (COL-00513) >95% $$$$ -ISIS- 02091117132D 17 19 0 0 0 0 0 0 0 0999 V2000 6.9625 -0.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0667 0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3000 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0708 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 2 5 1 0 0 0 0 14 17 2 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00514) COL-00514 > (COL-00514) x > (COL-00514) N-Ethyl-carbazole-3-aldehyde > (COL-00514) 7570-45-8 > (COL-00514) MFCD00004963 > (COL-00514) 1g > (COL-00514) 5g > (COL-00514) $39.00 > (COL-00514) $78.00 > (COL-00514) >95% $$$$ -ISIS- 02091117132D 42 45 0 0 0 0 0 0 0 0999 V2000 2.9792 -4.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6417 -6.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 -3.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -2.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3375 -3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 -8.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5792 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2042 -2.5417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3667 -8.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7500 -9.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5667 -9.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4917 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -7.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7417 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2625 -7.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8542 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -10.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7042 -7.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5042 -6.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 15 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 1 1 0 0 0 0 13 32 1 0 0 0 0 14 12 1 0 0 0 0 15 25 1 0 0 0 0 16 24 1 0 0 0 0 17 8 1 0 0 0 0 18 13 1 0 0 0 0 19 7 2 0 0 0 0 20 10 2 0 0 0 0 21 11 2 0 0 0 0 22 13 2 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 17 1 0 0 0 0 26 11 1 0 0 0 0 27 3 1 0 0 0 0 28 2 1 0 0 0 0 29 5 1 0 0 0 0 30 4 1 0 0 0 0 31 10 1 0 0 0 0 32 37 1 0 0 0 0 33 23 1 0 0 0 0 34 23 1 0 0 0 0 35 23 1 0 0 0 0 36 31 1 0 0 0 0 37 38 1 0 0 0 0 38 36 1 0 0 0 0 39 30 2 0 0 0 0 40 39 1 0 0 0 0 41 42 1 0 0 0 0 42 29 2 0 0 0 0 2 3 1 0 0 0 0 41 28 2 0 0 0 0 27 40 2 0 0 0 0 6 16 1 0 0 0 0 M END > (COL-00515) COL-00515 > (COL-00515) x > (COL-00515) x > (COL-00515) 2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-2-(1-(7-tert-butoxy-7-oxoheptanoyl)piperidin-4-yl)acetic acid > (COL-00515) 864685-37-0 > (COL-00515) MFCD08706222 > (COL-00515) 250mg > (COL-00515) 1g > (COL-00515) $94.00 > (COL-00515) $194.00 > (COL-00515) >95% $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 5.9875 -1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2708 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8458 -0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7000 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4208 1.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 5 3 1 0 0 0 0 13 8 1 0 0 0 0 10 11 2 0 0 0 0 M END > (COL-00516) COL-00516 > (COL-00516) x > (COL-00516) 4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidine > (COL-00516) 84163-13-3 > (COL-00516) MFCD03236724 > (COL-00516) 1g > (COL-00516) 5g > (COL-00516) $71.00 > (COL-00516) $224.00 > (COL-00516) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.1833 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 0.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -1.0500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00517) COL-00517 > (COL-00517) x > (COL-00517) x > (COL-00517) 2-Fluoro-4-methyl-pyridin-3-ylamine > (COL-00517) 173435-32-0 > (COL-00517) MFCD04112556 > (COL-00517) 250mg > (COL-00517) 1g > (COL-00517) $194.00 > (COL-00517) $294.00 > (COL-00517) >95% $$$$ -ISIS- 02091117132D 9 10 0 0 0 0 0 0 0 0999 V2000 5.7750 0.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7750 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 0.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3458 -0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 3 6 1 0 0 0 0 7 9 2 0 0 0 0 M END > (COL-00518) COL-00518 > (COL-00518) Imidazo[1,2-b]pyridazine > (COL-00518) 146233-39-8 > (COL-00518) MFCD07782103 > (COL-00518) 1g > (COL-00518) 5g > (COL-00518) $46.00 > (COL-00518) $153.00 > (COL-00518) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.2667 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0125 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -0.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 0.0792 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 7 5 2 0 0 0 0 M END > (COL-00519) COL-00519 > (COL-00519) x > (COL-00519) x > (COL-00519) 5-Iodo-2-methylaniline > (COL-00519) 83863-33-6 > (COL-00519) MFCD00051531 > (COL-00519) 1g > (COL-00519) 5g > (COL-00519) $22.00 > (COL-00519) $71.00 > (COL-00519) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 1.2042 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00520) COL-00520 > (COL-00520) x > (COL-00520) x > (COL-00520) 4-Iodobenzoic acid > (COL-00520) 120747-84-4 > (COL-00520) MFCD03701714 > (COL-00520) 1g > (COL-00520) 5g > (COL-00520) $174.00 > (COL-00520) $579.00 > (COL-00520) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.0125 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 1.2208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 8 2 0 0 0 0 7 9 1 0 0 0 0 M END > (COL-00521) COL-00521 > (COL-00521) x > (COL-00521) x > (COL-00521) 2-Iodobenzyl alcohol > (COL-00521) 5159-41-1 > (COL-00521) MFCD00004610 > (COL-00521) 1g > (COL-00521) $72.00 > (COL-00521) >95% $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 5.4708 0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.0875 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 7 6 2 0 0 0 0 M END > (COL-00522) COL-00522 > (COL-00522) x > (COL-00522) x > (COL-00522) 3-Iodophenol > (COL-00522) 626-02-8 > (COL-00522) MFCD00002261 > (COL-00522) 1g > (COL-00522) $44.00 > (COL-00522) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.8500 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3708 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 0.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2625 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7833 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 6 2 1 0 0 0 0 M END > (COL-00523) COL-00523 > (COL-00523) x > (COL-00523) Isonipecotamide > (COL-00523) 39546-32-2 > (COL-00523) MFCD00038012 > (COL-00523) 1g > (COL-00523) $44.00 > (COL-00523) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 5.4708 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6208 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7583 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3208 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 12 9 1 0 0 0 0 7 3 1 0 0 0 0 M END > (COL-00524) COL-00524 > (COL-00524) x > (COL-00524) 6-Methoxy-2H-chromene-3-carboxyaldehyde > (COL-00524) 57543-40-5 > (COL-00524) MFCD01662418 > (COL-00524) 1g > (COL-00524) 5g > (COL-00524) $45.00 > (COL-00524) $132.00 > (COL-00524) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.1875 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -0.1250 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0792 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 6 7 1 0 0 0 0 M END > (COL-00525) COL-00525 > (COL-00525) x > (COL-00525) 2-Methoxy-4-methyl-pyridine-5-boronic acid > (COL-00525) 503184-35-8 > (COL-00525) MFCD07368880 > (COL-00525) 1g > (COL-00525) 5g > (COL-00525) $449.00 > (COL-00525) $1,349.00 > (COL-00525) >95% $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 5.3500 -0.4833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5250 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -0.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3500 0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 1.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 13 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 6 2 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 12 7 1 0 0 0 0 14 17 1 0 0 0 0 M END > (COL-00526) COL-00526 > (COL-00526) 4-(2-Methoxy-benzenesulfonyl)-piperazine hydrochloride > (COL-00526) 864759-55-7 > (COL-00526) MFCD08062345 > (COL-00526) 250mg > (COL-00526) 1g > (COL-00526) $194.00 > (COL-00526) $392.00 > (COL-00526) >99% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 7.6583 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.2750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0083 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 5 7 2 0 0 0 0 M END > (COL-00527) COL-00527 > (COL-00527) x > (COL-00527) 4-Methoxycarbonylphenyl isothiocyanate > (COL-00527) 3662-78-0 > (COL-00527) MFCD00041099 > (COL-00527) 1g > (COL-00527) 5g > (COL-00527) $24.00 > (COL-00527) $74.00 > (COL-00527) >98% $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 5.5708 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0083 0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7250 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4208 -0.6583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 9 7 1 0 0 0 0 M END > (COL-00528) COL-00528 > (COL-00528) x > (COL-00528) x > (COL-00528) Methyl 2-(5-bromo-2-hydroxyphenyl) acetate > (COL-00528) 220801-66-1 > (COL-00528) MFCD07778484 > (COL-00528) 250mg > (COL-00528) $194.00 > (COL-00528) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 6.0833 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2583 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5958 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 1.2875 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 11 8 2 0 0 0 0 M END > (COL-00529) COL-00529 > (COL-00529) x > (COL-00529) Methyl 2-iodobenzoate > (COL-00529) 610-97-9 > (COL-00529) MFCD00016351 > (COL-00529) 1g > (COL-00529) $244.00 > (COL-00529) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.9250 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6875 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -1.3333 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 9 6 2 0 0 0 0 M END > (COL-00530) COL-00530 > (COL-00530) x > (COL-00530) x > (COL-00530) Methyl 5-iodosalicylate > (COL-00530) 4068-75-1 > (COL-00530) MFCD00016462 > (COL-00530) 500mg > (COL-00530) 1g > (COL-00530) $55.00 > (COL-00530) $76.00 > (COL-00530) >95% $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 5.8000 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2167 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2208 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00531) COL-00531 > (COL-00531) Methyl pivaloylacetate > (COL-00531) 55107-14-7 > (COL-00531) MFCD00008847 > (COL-00531) 1g > (COL-00531) $44.00 > (COL-00531) >95% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.4000 -0.0708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.8208 0.5083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1875 -0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8208 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 9 6 1 0 0 0 0 M END > (COL-00532) COL-00532 > (COL-00532) 2-Methyl-[1,2,6]thiadiazinane 1,1-dioxide > (COL-00532) 137830-77-4 > (COL-00532) MFCD06657763 > (COL-00532) 250mg > (COL-00532) 1g > (COL-00532) $294.00 > (COL-00532) $488.00 > (COL-00532) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 5.6250 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 0.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -0.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1042 0.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 1.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8625 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4417 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 5 14 1 1 0 0 0 9 6 1 0 0 0 0 M END > (COL-00533) COL-00533 > (COL-00533) (R)-2-Methyl-1-Boc-piperazine > (COL-00533) 169447-70-5 > (COL-00533) MFCD01862120 > (COL-00533) 1g > (COL-00533) 5g > (COL-00533) $94.00 > (COL-00533) $224.00 > (COL-00533) >95% $$$$ -ISIS- 02091117132D 10 8 0 0 0 0 0 0 0 0999 V2000 6.5958 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3833 -0.5250 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.3917 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 1.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -0.6875 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 M CHG 2 3 -1 10 1 M END > (COL-00534) COL-00534 > (COL-00534) x > (COL-00534) 4-Methyl-2-oxo-pentanoate, sodium salt > (COL-00534) 4502-00-5 > (COL-00534) MFCD00064193 > (COL-00534) 1g > (COL-00534) 5g > (COL-00534) $32.00 > (COL-00534) $144.00 > (COL-00534) >95% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 6.5458 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 0.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 7 10 2 0 0 0 0 M END > (COL-00535) COL-00535 > (COL-00535) x > (COL-00535) x > (COL-00535) 3-Methyl-benzoylhydrazide > (COL-00535) 13050-47-0 > (COL-00535) MFCD00014760 > (COL-00535) 1g > (COL-00535) $20.00 > (COL-00535) >95% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 7.3500 1.3417 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.6292 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 11 7 1 0 0 0 0 M END > (COL-00536) COL-00536 > (COL-00536) (4-Methyl-benzyl)-phosphonic acid > (COL-00536) 13081-74-8 > (COL-00536) MFCD00961498 > (COL-00536) 250mg > (COL-00536) 1g > (COL-00536) $494.00 > (COL-00536) $994.00 > (COL-00536) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 7.0833 1.0542 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1667 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3250 1.3958 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8958 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 2.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9208 -0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0083 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 14 12 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (COL-00537) COL-00537 > (COL-00537) x > (COL-00537) 2-Nitrophenoxyacetic acid > (COL-00537) 1878-87-1 > (COL-00537) MFCD00016993 > (COL-00537) 1g > (COL-00537) $59.00 > (COL-00537) >95% $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 3.5583 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 1.6875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8458 0.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -1.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.1250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 2 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 10 2 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 4 8 1 0 0 0 0 M END > (COL-00538) COL-00538 > (COL-00538) x > (COL-00538) 3-Picolyl isothiocyanate hydrobromide > (COL-00538) 147342-57-2 > (COL-00538) MFCD00060721 > (COL-00538) 1g > (COL-00538) $60.00 > (COL-00538) >95% $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 1.4000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.4083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3917 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -1.9375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 13 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 8 10 2 0 0 0 0 17 18 1 0 0 0 0 M END > (COL-00539) COL-00539 > (COL-00539) x > (COL-00539) 4-(2-Piperodin-1-yl-ethoxy)-benzoic acid hydrochloride > (COL-00539) 166975-76-4 > (COL-00539) MFCD06657755 > (COL-00539) 1g > (COL-00539) 5g > (COL-00539) $28.00 > (COL-00539) $98.00 > (COL-00539) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 8.8750 -22.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -20.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.6792 -23.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 -21.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -23.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 -18.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9167 -22.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -17.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -20.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -24.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -16.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -21.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -23.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 4 5 1 0 0 0 0 12 13 2 0 0 0 0 M END > (COL-00540) COL-00540 > (COL-00540) 1-(2-Propenyl)-2-benzimidazolidinone > (COL-00540) 52099-72-6 > (COL-00540) MFCD00218253 > (COL-00540) 1g > (COL-00540) 5g > (COL-00540) $28.00 > (COL-00540) $99.00 > (COL-00540) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 6.0500 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 0.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -0.7167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9000 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 14 7 2 0 0 0 0 M END > (COL-00541) COL-00541 > (COL-00541) x > (COL-00541) tert-Butyl 3-aminobenzoate > (COL-00541) 92146-82-2 > (COL-00541) MFCD00729048 > (COL-00541) 1g > (COL-00541) 5g > (COL-00541) $44.00 > (COL-00541) $76.00 > (COL-00541) >95% $$$$ -ISIS- 02091117132D 30 33 0 0 0 0 0 0 0 0999 V2000 8.1000 -0.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8250 -1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0292 -1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8708 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 4.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4417 2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 4.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 4.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 -1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6042 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5792 5.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2542 -1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 10 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 10 7 1 0 0 0 0 11 18 1 0 0 0 0 12 6 2 0 0 0 0 13 14 1 0 0 0 0 14 16 1 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 6 1 0 0 0 0 18 17 1 0 0 0 0 19 2 1 0 0 0 0 20 3 1 0 0 0 0 21 5 1 0 0 0 0 22 4 1 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 25 22 2 0 0 0 0 26 21 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 29 30 1 0 0 0 0 30 24 1 0 0 0 0 2 3 1 0 0 0 0 20 27 2 0 0 0 0 28 19 2 0 0 0 0 29 23 1 0 0 0 0 M END > (COL-00542) COL-00542 > (COL-00542) x > (COL-00542) N-(2H-3,4,5,6-Tetrahydropyran-2-yloxy)-3-[(fluoren-9-ylmethoxy)carbonylamino]propanamide > (COL-00542) 850349-60-9 > (COL-00542) MFCD06657764 > (COL-00542) 250mg > (COL-00542) 1g > (COL-00542) $74.00 > (COL-00542) $92.00 > (COL-00542) >95% $$$$ -ISIS- 02091117132D 26 27 0 0 0 0 0 0 0 0999 V2000 5.5500 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 3.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2667 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 0.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 2.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 19 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 24 1 0 0 0 0 26 25 2 0 0 0 0 22 14 1 0 0 0 0 M END > (COL-00543) COL-00543 > (COL-00543) x > (COL-00543) N-(2H-3,4,5,6-Tetrahydropyran-2-yloxy)-6-[(phenylmethoxy)carbonylamino]hexanamide > (COL-00543) 850349-62-1 > (COL-00543) MFCD06657765 > (COL-00543) 250mg > (COL-00543) 1g > (COL-00543) $74.00 > (COL-00543) $92.00 > (COL-00543) >95% $$$$ -ISIS- 02091117132D 10 11 0 0 0 0 0 0 0 0999 V2000 4.7542 -3.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -2.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -2.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 10 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 4 3 1 0 0 0 0 9 6 1 0 0 0 0 M END > (COL-00544) COL-00544 > (COL-00544) x > (COL-00544) 4,5,6,7-Tetrahydro-thiazolo[5,4-c]pyridin-2-ylamine > (COL-00544) 97817-23-7 > (COL-00544) MFCD06657759 > (COL-00544) 250mg > (COL-00544) 1g > (COL-00544) $94.00 > (COL-00544) $214.00 > (COL-00544) >95% $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 5.8583 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 0.1958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.3583 -0.4375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7542 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9833 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 12 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 13 7 1 0 0 0 0 9 8 2 0 0 0 0 M END > (COL-00545) COL-00545 > (COL-00545) 1-(Thiophene-2-carbonyl)piperazine > (COL-00545) 52063-83-9 > (COL-00545) MFCD01807000 > (COL-00545) 1g > (COL-00545) 5g > (COL-00545) $70.00 > (COL-00545) $210.00 > (COL-00545) >95% $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 5.2958 -1.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8875 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 -1.6833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0208 -0.8667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -2.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6208 1.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 8 12 2 0 0 0 0 M END > (COL-00546) COL-00546 > (COL-00546) x > (COL-00546) x > (COL-00546) 2-(3-Trifluoromethoxy-phenyl)-ethylamine > (COL-00546) 467461-10-5 > (COL-00546) MFCD06212784 > (COL-00546) 1g > (COL-00546) 5g > (COL-00546) $294.00 > (COL-00546) $984.00 > (COL-00546) >95% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 4.4042 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8833 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4708 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 0.1083 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00547) COL-00547 > (COL-00547) x > (COL-00547) x > (COL-00547) 4-Iodobenzoic acid > (COL-00547) 619-58-9 > (COL-00547) MFCD00002533 > (COL-00547) 1g > (COL-00547) $44.00 > (COL-00547) >95% $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 2.1792 1.7375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8875 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 3.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 3 5 1 0 0 0 0 13 11 2 0 0 0 0 M END > (COL-00548) COL-00548 > (COL-00548) x > (COL-00548) 4-(2-METHYL-IMIDAZOL-1-YL)-BENZALDEHYDE > (COL-00548) 88427-96-7 > (COL-00548) MFCD05864665 > (COL-00548) 1g > (COL-00548) $64.00 > (COL-00548) >95% $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 -1.2190 0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 0.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 0.8275 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 -2.2534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 -2.2534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 0.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4370 0.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 2.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8751 -1.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7643 0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00549) COL-00549 > (COL-00549) x > (COL-00549) x > (COL-00549) 2-FLUOROPYRIDINE-3-BORONIC ACID HYDRATE > (COL-00549) 174669-73-9 > (COL-00549) MFCD04038758 > (COL-00549) 1g > (COL-00549) $149.00 > (COL-00549) >97% $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 0.7724 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 -0.5862 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0379 -1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3483 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 -1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8241 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 -1.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3448 -1.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 0.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4655 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3897 1.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1655 -1.7793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 13 15 2 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00550) COL-00550 > (COL-00550) x > (COL-00550) x > (COL-00550) 4-DIETHYLAMINO-2-METHOXY-BENZALDEHYDE > (COL-00550) 55586-68-0 > (COL-00550) MFCD02277405 > (COL-00550) 1g > (COL-00550) 5g > (COL-00550) $141.00 > (COL-00550) $446.00 > (COL-00550) >97% $$$$ -ISIS- 02091117132D 15 17 0 0 0 0 0 0 0 0999 V2000 -3.9250 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.1542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 13 2 0 0 0 0 15 12 2 0 0 0 0 5 4 2 0 0 0 0 6 10 2 0 0 0 0 15 14 1 0 0 0 0 M END > (COL-00551) COL-00551 > (COL-00551) x > (COL-00551) 2-Bromo-9H-fluoren-9-one > (COL-00551) 3096-56-8 > (COL-00551) MFCD00010789 > (COL-00551) 5g > (COL-00551) 25g > (COL-00551) $70.00 > (COL-00551) $245.00 > (COL-00551) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 5.1084 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 -3.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -4.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8208 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.3500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -4.0041 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8187 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 M END > (COL-00552) COL-00552 > (COL-00552) x > (COL-00552) 2,5-Dibromo-4-methylpyridine > (COL-00552) 3430-26-0 > (COL-00552) MFCD00234955 > (COL-00552) 1g > (COL-00552) 5g > (COL-00552) $39.00 > (COL-00552) $144.00 > (COL-00552) >98% $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 -2.6583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 10 4 2 0 0 0 0 M END > (COL-00553) COL-00553 > (COL-00553) x > (COL-00553) x > (COL-00553) 4-Bromo-3-fluorobenzaldehyde > (COL-00553) 133059-43-5 > (COL-00553) MFCD03095000 > (COL-00553) 1g > (COL-00553) 5g > (COL-00553) $29.00 > (COL-00553) $89.00 > (COL-00553) >97% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -3.9583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 5 10 2 0 0 0 0 M END > (COL-00554) COL-00554 > (COL-00554) x > (COL-00554) x > (COL-00554) 2-Fluoro-3-methylbenzoic acid > (COL-00554) 315-31-1 > (COL-00554) MFCD00042504 > (COL-00554) 1g > (COL-00554) 5g > (COL-00554) $44.00 > (COL-00554) $134.00 > (COL-00554) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 5.6972 -4.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 -3.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4149 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6972 -2.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -2.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -3.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6972 -1.5831 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2683 -2.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2666 -1.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 -2.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8438 -2.8275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1303 -1.5894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 1 2 2 0 0 0 0 8 9 1 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 3 4 2 0 0 0 0 10 11 1 0 0 0 0 4 5 1 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00555) COL-00555 > (COL-00555) x > (COL-00555) x > (COL-00555) 2-Fluoro-3-methoxybenzoic acid > (COL-00555) 137654-20-7 > (COL-00555) MFCD02179621 > (COL-00555) 1g > (COL-00555) 5g > (COL-00555) $29.00 > (COL-00555) $101.00 > (COL-00555) >98% $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 4.2125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 -1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -1.5208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3708 -4.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -4.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 5 1 0 0 0 0 3 7 2 0 0 0 0 M END > (COL-00556) COL-00556 > (COL-00556) x > (COL-00556) x > (COL-00556) 2,4-Dichlorophenacylamine hydrochloride > (COL-00556) 313553-17-2 > (COL-00556) MFCD00219529 > (COL-00556) 1g > (COL-00556) 5g > (COL-00556) $94.00 > (COL-00556) $379.00 > (COL-00556) >98% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -2.6583 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 1.0083 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 11 7 2 0 0 0 0 M END > (COL-00557) COL-00557 > (COL-00557) x > (COL-00557) x > (COL-00557) 4-Bromo-2-fluorophenylacetic acid > (COL-00557) 114897-92-6 > (COL-00557) MFCD09032952 > (COL-00557) 1g > (COL-00557) 5g > (COL-00557) $142.00 > (COL-00557) $569.00 > (COL-00557) >97% $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 -0.2000 2.1000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 3.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 10 2 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 6 7 1 0 0 0 0 M END > (COL-00558) COL-00558 > (COL-00558) x > (COL-00558) 4-Fluoro-3-methylbenzenesulphonyl chloride > (COL-00558) 629672-19-1 > (COL-00558) MFCD01365818 > (COL-00558) 1g > (COL-00558) 5g > (COL-00558) $71.00 > (COL-00558) $237.00 > (COL-00558) >97% $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 6.4833 -2.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7000 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -4.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -3.6917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5333 -4.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6583 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 2 3 1 0 0 0 0 M END > (COL-00559) COL-00559 > (COL-00559) x > (COL-00559) x > (COL-00559) [1-(Sulphanylmethyl)cyclopropyl]acetic acid > (COL-00559) 162515-68-6 > (COL-00559) MFCD03411600 > (COL-00559) 1g > (COL-00559) 5g > (COL-00559) $67.00 > (COL-00559) $201.00 > (COL-00559) >97% $$$$ -ISIS- 02091117132D 7 7 0 0 0 0 0 0 0 0999 V2000 -5.0208 0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 1.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 1.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 3.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-00560) COL-00560 > (COL-00560) x > (COL-00560) 5-(Chloromethyl)-1H-tetrazole > (COL-00560) 55408-11-2 > (COL-00560) MFCD00512845 > (COL-00560) 5g > (COL-00560) $124.00 > (COL-00560) >98% $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 -4.7833 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0875 -8.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8542 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8917 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -9.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 -12.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -12.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -16.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-00561) COL-00561 > (COL-00561) x > (COL-00561) x > (COL-00561) 5-Chloro-2-methoxybenzaldehyde > (COL-00561) 7035-09-8 > (COL-00561) MFCD00033854 > (COL-00561) 1g > (COL-00561) 5g > (COL-00561) $78.00 > (COL-00561) $189.00 > (COL-00561) >95% $$$$ -ISIS- 02091117132D 12 14 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 10 4 1 0 0 0 0 9 3 1 0 0 0 0 8 3 1 0 0 0 0 M END > (COL-00562) COL-00562 > (COL-00562) x > (COL-00562) (1s,3s)-adamantan-1-ylmethanamine > (COL-00562) 17768-41-1 > (COL-00562) MFCD00074750 > (COL-00562) 1g > (COL-00562) 5g > (COL-00562) 10g > (COL-00562) POA > (COL-00562) POA > (COL-00562) POA $$$$ -ISIS- 02091117132D 20 23 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 15 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 10 4 1 0 0 0 0 9 3 1 0 0 0 0 8 3 1 0 0 0 0 19 20 2 0 0 0 0 M END > (COL-00563) COL-00563 > (COL-00563) x > (COL-00563) N-((1s,3s)-adamantan-1-ylmethyl)-2-phenylethanamine > (COL-00563) 1g > (COL-00563) 5g > (COL-00563) 10g > (COL-00563) POA > (COL-00563) POA > (COL-00563) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 17 1 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 1 1 0 0 0 0 15 14 1 0 0 0 0 16 2 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 12 5 1 0 0 0 0 11 4 1 0 0 0 0 13 4 1 0 0 0 0 M END > (COL-00564) COL-00564 > (COL-00564) x > (COL-00564) ethyl 3-(((1s,3s)-adamantan-1-ylmethyl)amino)propanoate > (COL-00564) MFCD16240984 > (COL-00564) 1g > (COL-00564) 5g > (COL-00564) 10g > (COL-00564) POA > (COL-00564) POA > (COL-00564) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00565) COL-00565 > (COL-00565) x > (COL-00565) (1-methyl-1H-imidazol-5-yl)methanamine > (COL-00565) 486414-86-2 > (COL-00565) MFCD06200858 > (COL-00565) 1g > (COL-00565) 5g > (COL-00565) 10g > (COL-00565) POA > (COL-00565) POA > (COL-00565) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 5 3 1 0 0 0 0 15 16 2 0 0 0 0 M END > (COL-00566) COL-00566 > (COL-00566) x > (COL-00566) N-((1-methyl-1H-imidazol-5-yl)methyl)-2-phenylethanamine > (COL-00566) 1g > (COL-00566) 5g > (COL-00566) 10g > (COL-00566) POA > (COL-00566) POA > (COL-00566) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00567) COL-00567 > (COL-00567) x > (COL-00567) ethyl 3-(((1-methyl-1H-imidazol-5-yl)methyl)amino)propanoate > (COL-00567) 1g > (COL-00567) 5g > (COL-00567) 10g > (COL-00567) POA > (COL-00567) POA > (COL-00567) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00568) COL-00568 > (COL-00568) x > (COL-00568) (4-methylthiazol-5-yl)methanamine > (COL-00568) MFCD08060724 > (COL-00568) 1g > (COL-00568) 5g > (COL-00568) 10g > (COL-00568) POA > (COL-00568) POA > (COL-00568) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 2 5 2 0 0 0 0 15 16 2 0 0 0 0 M END > (COL-00569) COL-00569 > (COL-00569) x > (COL-00569) N-((4-methylthiazol-5-yl)methyl)-2-phenylethanamine > (COL-00569) 1g > (COL-00569) 5g > (COL-00569) 10g > (COL-00569) POA > (COL-00569) POA > (COL-00569) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00570) COL-00570 > (COL-00570) x > (COL-00570) ethyl 3-(((4-methylthiazol-5-yl)methyl)amino)propanoate > (COL-00570) 1g > (COL-00570) 5g > (COL-00570) 10g > (COL-00570) POA > (COL-00570) POA > (COL-00570) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (COL-00571) COL-00571 > (COL-00571) x > (COL-00571) (2-methylthiazol-5-yl)methanamine > (COL-00571) 63139-97-9 > (COL-00571) MFCD02853614 > (COL-00571) 1g > (COL-00571) 5g > (COL-00571) 10g > (COL-00571) POA > (COL-00571) POA > (COL-00571) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 8 11 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 2 4 1 0 0 0 0 15 16 2 0 0 0 0 M END > (COL-00572) COL-00572 > (COL-00572) x > (COL-00572) N-((2-methylthiazol-5-yl)methyl)-2-phenylethanamine > (COL-00572) MFCD12798782 > (COL-00572) 1g > (COL-00572) 5g > (COL-00572) 10g > (COL-00572) POA > (COL-00572) POA > (COL-00572) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 11 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 2 4 1 0 0 0 0 M END > (COL-00573) COL-00573 > (COL-00573) x > (COL-00573) ethyl 3-(((2-methylthiazol-5-yl)methyl)amino)propanoate > (COL-00573) MFCD14615597 > (COL-00573) 1g > (COL-00573) 5g > (COL-00573) 10g > (COL-00573) POA > (COL-00573) POA > (COL-00573) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00574) COL-00574 > (COL-00574) x > (COL-00574) (5-methyl-1,3,4-thiadiazol-2-yl)methanamine > (COL-00574) 784131-72-2 > (COL-00574) MFCD10700263 > (COL-00574) 1g > (COL-00574) 5g > (COL-00574) 10g > (COL-00574) POA > (COL-00574) POA > (COL-00574) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 11 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 5 3 1 0 0 0 0 15 16 2 0 0 0 0 M END > (COL-00575) COL-00575 > (COL-00575) x > (COL-00575) N-((5-methyl-1,3,4-thiadiazol-2-yl)methyl)-2-phenylethanamine > (COL-00575) 1g > (COL-00575) 5g > (COL-00575) 10g > (COL-00575) POA > (COL-00575) POA > (COL-00575) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00576) COL-00576 > (COL-00576) x > (COL-00576) ethyl 3-(((5-methyl-1,3,4-thiadiazol-2-yl)methyl)amino)propanoate > (COL-00576) 1g > (COL-00576) 5g > (COL-00576) 10g > (COL-00576) POA > (COL-00576) POA > (COL-00576) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00577) COL-00577 > (COL-00577) x > (COL-00577) x > (COL-00577) tert-butyl (5-(aminomethyl)thiazol-2-yl)carbamate > (COL-00577) MFCD10698172 > (COL-00577) 1g > (COL-00577) 5g > (COL-00577) 10g > (COL-00577) POA > (COL-00577) POA > (COL-00577) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 6 7 2 0 0 0 0 22 23 2 0 0 0 0 M END > (COL-00578) COL-00578 > (COL-00578) x > (COL-00578) x > (COL-00578) tert-butyl (5-((phenethylamino)methyl)thiazol-2-yl)carbamate > (COL-00578) 1g > (COL-00578) 5g > (COL-00578) 10g > (COL-00578) POA > (COL-00578) POA > (COL-00578) POA $$$$ -ISIS- 02091117132D 22 22 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 21 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00579) COL-00579 > (COL-00579) x > (COL-00579) x > (COL-00579) ethyl 3-(((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methyl)amino)propanoate > (COL-00579) 1g > (COL-00579) 5g > (COL-00579) 10g > (COL-00579) POA > (COL-00579) POA > (COL-00579) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00580) COL-00580 > (COL-00580) x > (COL-00580) x > (COL-00580) tert-butyl (4-(aminomethyl)thiazol-2-yl)carbamate > (COL-00580) 1g > (COL-00580) 5g > (COL-00580) 10g > (COL-00580) POA > (COL-00580) POA > (COL-00580) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 18 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 6 7 2 0 0 0 0 22 23 2 0 0 0 0 M END > (COL-00581) COL-00581 > (COL-00581) x > (COL-00581) x > (COL-00581) tert-butyl (4-((phenethylamino)methyl)thiazol-2-yl)carbamate > (COL-00581) 1g > (COL-00581) 5g > (COL-00581) 10g > (COL-00581) POA > (COL-00581) POA > (COL-00581) POA $$$$ -ISIS- 02091117132D 22 22 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 11 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 21 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00582) COL-00582 > (COL-00582) x > (COL-00582) x > (COL-00582) ethyl 3-(((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methyl)amino)propanoate > (COL-00582) 1g > (COL-00582) 5g > (COL-00582) 10g > (COL-00582) POA > (COL-00582) POA > (COL-00582) POA $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00583) COL-00583 > (COL-00583) x > (COL-00583) x > (COL-00583) (2,6-dibromophenyl)methanamine > (COL-00583) MFCD13185496 > (COL-00583) 1g > (COL-00583) 5g > (COL-00583) 10g > (COL-00583) POA > (COL-00583) POA > (COL-00583) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 9 11 2 0 0 0 0 17 18 2 0 0 0 0 M END > (COL-00584) COL-00584 > (COL-00584) x > (COL-00584) x > (COL-00584) N-(2,6-dibromobenzyl)-2-phenylethanamine > (COL-00584) 1g > (COL-00584) 5g > (COL-00584) 10g > (COL-00584) POA > (COL-00584) POA > (COL-00584) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 12 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 15 2 0 0 0 0 14 3 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 13 14 1 0 0 0 0 M END > (COL-00585) COL-00585 > (COL-00585) x > (COL-00585) x > (COL-00585) ethyl 3-((2,6-dibromobenzyl)amino)propanoate > (COL-00585) 1g > (COL-00585) 5g > (COL-00585) 10g > (COL-00585) POA > (COL-00585) POA > (COL-00585) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 8 1 0 0 0 0 8 5 1 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00586) COL-00586 > (COL-00586) x > (COL-00586) x > (COL-00586) x > (COL-00586) 2-(aminomethyl)-6-chlorobenzonitrile > (COL-00586) 1g > (COL-00586) 5g > (COL-00586) 10g > (COL-00586) POA > (COL-00586) POA > (COL-00586) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 9 5 1 0 0 0 0 10 12 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 11 10 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00587) COL-00587 > (COL-00587) x > (COL-00587) x > (COL-00587) x > (COL-00587) 2-chloro-6-((phenethylamino)methyl)benzonitrile > (COL-00587) 1g > (COL-00587) 5g > (COL-00587) 10g > (COL-00587) POA > (COL-00587) POA > (COL-00587) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 12 1 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 16 1 0 0 0 0 15 5 1 0 0 0 0 16 6 2 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 15 14 2 0 0 0 0 M END > (COL-00588) COL-00588 > (COL-00588) x > (COL-00588) x > (COL-00588) x > (COL-00588) ethyl 3-((3-chloro-2-cyanobenzyl)amino)propanoate > (COL-00588) 1g > (COL-00588) 5g > (COL-00588) 10g > (COL-00588) POA > (COL-00588) POA > (COL-00588) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00589) COL-00589 > (COL-00589) x > (COL-00589) x > (COL-00589) x > (COL-00589) 2-(aminomethyl)-4,6-dibromophenol > (COL-00589) 5428-91-1 > (COL-00589) MFCD06213502 > (COL-00589) 1g > (COL-00589) 5g > (COL-00589) 10g > (COL-00589) POA > (COL-00589) POA > (COL-00589) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 4 2 1 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00590) COL-00590 > (COL-00590) x > (COL-00590) x > (COL-00590) x > (COL-00590) 2,4-dibromo-6-((phenethylamino)methyl)phenol > (COL-00590) 1g > (COL-00590) 5g > (COL-00590) 10g > (COL-00590) POA > (COL-00590) POA > (COL-00590) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 16 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 1 1 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00591) COL-00591 > (COL-00591) x > (COL-00591) x > (COL-00591) x > (COL-00591) ethyl 3-((3,5-dibromo-2-hydroxybenzyl)amino)propanoate > (COL-00591) 1g > (COL-00591) 5g > (COL-00591) 10g > (COL-00591) POA > (COL-00591) POA > (COL-00591) POA $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 2 9 2 0 0 0 0 M END > (COL-00592) COL-00592 > (COL-00592) x > (COL-00592) x > (COL-00592) (3,5-dibromopyridin-4-yl)methanamine > (COL-00592) 1g > (COL-00592) 5g > (COL-00592) 10g > (COL-00592) POA > (COL-00592) POA > (COL-00592) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 13 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 2 9 2 0 0 0 0 17 18 2 0 0 0 0 M END > (COL-00593) COL-00593 > (COL-00593) x > (COL-00593) x > (COL-00593) N-((3,5-dibromopyridin-4-yl)methyl)-2-phenylethanamine > (COL-00593) 1g > (COL-00593) 5g > (COL-00593) 10g > (COL-00593) POA > (COL-00593) POA > (COL-00593) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 13 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 15 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 3 14 1 0 0 0 0 M END > (COL-00594) COL-00594 > (COL-00594) x > (COL-00594) x > (COL-00594) ethyl 3-(((3,5-dibromopyridin-4-yl)methyl)amino)propanoate > (COL-00594) 1g > (COL-00594) 5g > (COL-00594) 10g > (COL-00594) POA > (COL-00594) POA > (COL-00594) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 5 1 0 0 0 0 2 5 2 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00595) COL-00595 > (COL-00595) x > (COL-00595) x > (COL-00595) (5-(4-bromophenyl)isoxazol-3-yl)methanamine > (COL-00595) MFCD10036099 > (COL-00595) 1g > (COL-00595) 5g > (COL-00595) 10g > (COL-00595) POA > (COL-00595) POA > (COL-00595) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 14 1 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 15 17 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 2 5 2 0 0 0 0 9 11 2 0 0 0 0 21 22 2 0 0 0 0 M END > (COL-00596) COL-00596 > (COL-00596) x > (COL-00596) x > (COL-00596) N-((5-(4-bromophenyl)isoxazol-3-yl)methyl)-2-phenylethanamine > (COL-00596) 1g > (COL-00596) 5g > (COL-00596) 10g > (COL-00596) POA > (COL-00596) POA > (COL-00596) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 19 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 15 2 0 0 0 0 13 18 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 5 1 0 0 0 0 19 13 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 2 5 2 0 0 0 0 12 14 1 0 0 0 0 M END > (COL-00597) COL-00597 > (COL-00597) x > (COL-00597) x > (COL-00597) ethyl 3-(((5-(4-bromophenyl)isoxazol-3-yl)methyl)amino)propanoate > (COL-00597) 1g > (COL-00597) 5g > (COL-00597) 10g > (COL-00597) POA > (COL-00597) POA > (COL-00597) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 11 2 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 3 5 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00598) COL-00598 > (COL-00598) x > (COL-00598) (2-(pyridin-4-yl)thiazol-4-yl)methanamine > (COL-00598) MFCD09882198 > (COL-00598) 1g > (COL-00598) 5g > (COL-00598) 10g > (COL-00598) POA > (COL-00598) POA > (COL-00598) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 15 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 3 5 1 0 0 0 0 7 11 2 0 0 0 0 20 21 2 0 0 0 0 M END > (COL-00599) COL-00599 > (COL-00599) x > (COL-00599) 2-phenyl-N-((2-(pyridin-4-yl)thiazol-4-yl)methyl)ethanamine > (COL-00599) 1g > (COL-00599) 5g > (COL-00599) 10g > (COL-00599) POA > (COL-00599) POA > (COL-00599) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 14 1 0 0 0 0 9 16 1 0 0 0 0 10 6 2 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 11 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 17 7 2 0 0 0 0 18 7 1 0 0 0 0 19 12 1 0 0 0 0 20 19 1 0 0 0 0 3 5 1 0 0 0 0 9 15 2 0 0 0 0 M END > (COL-00600) COL-00600 > (COL-00600) x > (COL-00600) ethyl 3-(((2-(pyridin-4-yl)thiazol-4-yl)methyl)amino)propanoate > (COL-00600) 1g > (COL-00600) 5g > (COL-00600) 10g > (COL-00600) POA > (COL-00600) POA > (COL-00600) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 5 4 2 0 0 0 0 13 7 1 0 0 0 0 M END > (COL-00601) COL-00601 > (COL-00601) x > (COL-00601) (4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methanamine > (COL-00601) 1082141-24-9 > (COL-00601) MFCD11559721 > (COL-00601) 1g > (COL-00601) 5g > (COL-00601) 10g > (COL-00601) POA > (COL-00601) POA > (COL-00601) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 16 1 0 0 0 0 14 19 2 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 5 4 2 0 0 0 0 14 7 1 0 0 0 0 21 22 2 0 0 0 0 M END > (COL-00602) COL-00602 > (COL-00602) x > (COL-00602) N-((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methyl)-2-phenylethanamine > (COL-00602) 1g > (COL-00602) 5g > (COL-00602) 10g > (COL-00602) POA > (COL-00602) POA > (COL-00602) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 12 2 0 0 0 0 9 17 1 0 0 0 0 10 7 2 0 0 0 0 11 4 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 7 1 0 0 0 0 15 5 1 0 0 0 0 16 6 2 0 0 0 0 17 13 1 0 0 0 0 18 20 2 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 5 4 2 0 0 0 0 18 8 1 0 0 0 0 M END > (COL-00603) COL-00603 > (COL-00603) x > (COL-00603) ethyl 3-(((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methyl)amino)propanoate > (COL-00603) 1g > (COL-00603) 5g > (COL-00603) 10g > (COL-00603) POA > (COL-00603) POA > (COL-00603) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00604) COL-00604 > (COL-00604) x > (COL-00604) benzofuran-2-ylmethanamine > (COL-00604) 37798-05-3 > (COL-00604) MFCD00052743 > (COL-00604) 1g > (COL-00604) 5g > (COL-00604) 10g > (COL-00604) POA > (COL-00604) POA > (COL-00604) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 16 1 0 0 0 0 16 9 2 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 3 5 1 0 0 0 0 10 15 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00605) COL-00605 > (COL-00605) x > (COL-00605) N-(benzofuran-2-ylmethyl)-2-phenylethanamine > (COL-00605) MFCD12618747 > (COL-00605) 1g > (COL-00605) 5g > (COL-00605) 10g > (COL-00605) POA > (COL-00605) POA > (COL-00605) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 11 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 3 5 1 0 0 0 0 14 17 2 0 0 0 0 M END > (COL-00606) COL-00606 > (COL-00606) x > (COL-00606) ethyl 3-((benzofuran-2-ylmethyl)amino)propanoate > (COL-00606) MFCD15469963 > (COL-00606) 1g > (COL-00606) 5g > (COL-00606) 10g > (COL-00606) POA > (COL-00606) POA > (COL-00606) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00607) COL-00607 > (COL-00607) x > (COL-00607) benzo[b]thiophen-2-ylmethanamine > (COL-00607) 6314-43-8 > (COL-00607) MFCD00965305 > (COL-00607) 1g > (COL-00607) 5g > (COL-00607) 10g > (COL-00607) POA > (COL-00607) POA > (COL-00607) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 12 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 16 1 0 0 0 0 16 9 2 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 3 5 1 0 0 0 0 10 15 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00608) COL-00608 > (COL-00608) x > (COL-00608) N-(benzo[b]thiophen-2-ylmethyl)-2-phenylethanamine > (COL-00608) 1g > (COL-00608) 5g > (COL-00608) 10g > (COL-00608) POA > (COL-00608) POA > (COL-00608) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 11 1 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 3 5 1 0 0 0 0 14 17 2 0 0 0 0 M END > (COL-00609) COL-00609 > (COL-00609) x > (COL-00609) ethyl 3-((benzo[b]thiophen-2-ylmethyl)amino)propanoate > (COL-00609) 1g > (COL-00609) 5g > (COL-00609) 10g > (COL-00609) POA > (COL-00609) POA > (COL-00609) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 3 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00610) COL-00610 > (COL-00610) x > (COL-00610) benzofuran-3-ylmethanamine > (COL-00610) 165735-63-7 > (COL-00610) MFCD15145960 > (COL-00610) 1g > (COL-00610) 5g > (COL-00610) 10g > (COL-00610) POA > (COL-00610) POA > (COL-00610) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 12 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 5 3 1 0 0 0 0 16 10 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00611) COL-00611 > (COL-00611) x > (COL-00611) N-(benzofuran-3-ylmethyl)-2-phenylethanamine > (COL-00611) 1g > (COL-00611) 5g > (COL-00611) 10g > (COL-00611) POA > (COL-00611) POA > (COL-00611) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 17 1 0 0 0 0 5 3 1 0 0 0 0 18 14 2 0 0 0 0 M END > (COL-00612) COL-00612 > (COL-00612) x > (COL-00612) ethyl 3-((benzofuran-3-ylmethyl)amino)propanoate > (COL-00612) 1g > (COL-00612) 5g > (COL-00612) 10g > (COL-00612) POA > (COL-00612) POA > (COL-00612) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 2 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00613) COL-00613 > (COL-00613) x > (COL-00613) benzo[b]thiophen-3-ylmethanamine > (COL-00613) 40615-04-1 > (COL-00613) MFCD00176440 > (COL-00613) 1g > (COL-00613) 5g > (COL-00613) 10g > (COL-00613) POA > (COL-00613) POA > (COL-00613) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 12 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 13 1 0 0 0 0 19 17 1 0 0 0 0 5 2 1 0 0 0 0 16 10 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00614) COL-00614 > (COL-00614) x > (COL-00614) N-(benzo[b]thiophen-3-ylmethyl)-2-phenylethanamine > (COL-00614) 1g > (COL-00614) 5g > (COL-00614) 10g > (COL-00614) POA > (COL-00614) POA > (COL-00614) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 6 2 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 17 1 0 0 0 0 5 2 1 0 0 0 0 18 14 2 0 0 0 0 M END > (COL-00615) COL-00615 > (COL-00615) x > (COL-00615) ethyl 3-((benzo[b]thiophen-3-ylmethyl)amino)propanoate > (COL-00615) 1g > (COL-00615) 5g > (COL-00615) 10g > (COL-00615) POA > (COL-00615) POA > (COL-00615) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 2 5 1 0 0 0 0 6 9 2 0 0 0 0 M END > (COL-00616) COL-00616 > (COL-00616) x > (COL-00616) imidazo[1,2-a]pyrazin-3-ylmethanamine > (COL-00616) MFCD09995737 > (COL-00616) 1g > (COL-00616) 5g > (COL-00616) 10g > (COL-00616) POA > (COL-00616) POA > (COL-00616) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 14 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 2 5 1 0 0 0 0 6 9 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00617) COL-00617 > (COL-00617) x > (COL-00617) N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-phenylethanamine > (COL-00617) 1g > (COL-00617) 5g > (COL-00617) 10g > (COL-00617) POA > (COL-00617) POA > (COL-00617) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 16 1 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 2 5 1 0 0 0 0 6 10 2 0 0 0 0 M END > (COL-00618) COL-00618 > (COL-00618) x > (COL-00618) ethyl 3-((imidazo[1,2-a]pyrazin-3-ylmethyl)amino)propanoate > (COL-00618) 1g > (COL-00618) 5g > (COL-00618) 10g > (COL-00618) POA > (COL-00618) POA > (COL-00618) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 2 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00619) COL-00619 > (COL-00619) x > (COL-00619) (2-methylimidazo[1,2-a]pyridin-3-yl)methanamine > (COL-00619) 34164-91-5 > (COL-00619) MFCD06739259 > (COL-00619) 1g > (COL-00619) 5g > (COL-00619) 10g > (COL-00619) POA > (COL-00619) POA > (COL-00619) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 15 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 2 5 1 0 0 0 0 9 7 2 0 0 0 0 19 20 2 0 0 0 0 M END > (COL-00620) COL-00620 > (COL-00620) x > (COL-00620) N-((2-methylimidazo[1,2-a]pyridin-3-yl)methyl)-2-phenylethanamine > (COL-00620) 1g > (COL-00620) 5g > (COL-00620) 10g > (COL-00620) POA > (COL-00620) POA > (COL-00620) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 9 1 0 0 0 0 9 17 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 8 2 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 5 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 18 1 0 0 0 0 2 5 1 0 0 0 0 11 7 2 0 0 0 0 M END > (COL-00621) COL-00621 > (COL-00621) x > (COL-00621) ethyl 3-(((2-methylimidazo[1,2-a]pyridin-3-yl)methyl)amino)propanoate > (COL-00621) MFCD15470096 > (COL-00621) 1g > (COL-00621) 5g > (COL-00621) 10g > (COL-00621) POA > (COL-00621) POA > (COL-00621) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00622) COL-00622 > (COL-00622) x > (COL-00622) (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanamine > (COL-00622) MFCD09886116 > (COL-00622) 1g > (COL-00622) 5g > (COL-00622) 10g > (COL-00622) POA > (COL-00622) POA > (COL-00622) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 16 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 20 21 2 0 0 0 0 M END > (COL-00623) COL-00623 > (COL-00623) x > (COL-00623) N-((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl)-2-phenylethanamine > (COL-00623) 1g > (COL-00623) 5g > (COL-00623) 10g > (COL-00623) POA > (COL-00623) POA > (COL-00623) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 10 2 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00624) COL-00624 > (COL-00624) x > (COL-00624) ethyl 3-(((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl)amino)propanoate > (COL-00624) 1g > (COL-00624) 5g > (COL-00624) 10g > (COL-00624) POA > (COL-00624) POA > (COL-00624) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.4042 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7542 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 9 8 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00625) COL-00625 > (COL-00625) x > (COL-00625) tert-butyl 7-(aminomethyl)indoline-1-carboxylate > (COL-00625) 1086392-30-4 > (COL-00625) MFCD11506111 > (COL-00625) 1g > (COL-00625) 5g > (COL-00625) 10g > (COL-00625) POA > (COL-00625) POA > (COL-00625) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 20.4042 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7542 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 21 1 0 0 0 0 14 6 2 0 0 0 0 15 16 2 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 20 1 0 0 0 0 22 13 2 0 0 0 0 23 13 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 9 8 1 0 0 0 0 15 14 1 0 0 0 0 25 26 2 0 0 0 0 M END > (COL-00626) COL-00626 > (COL-00626) x > (COL-00626) tert-butyl 7-((phenethylamino)methyl)indoline-1-carboxylate > (COL-00626) 1g > (COL-00626) 5g > (COL-00626) 10g > (COL-00626) POA > (COL-00626) POA > (COL-00626) POA $$$$ -ISIS- 02091117132D 25 26 0 0 0 0 0 0 0 0999 V2000 20.4042 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7542 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 11 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 17 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 16 1 0 0 0 0 15 7 1 0 0 0 0 16 6 1 0 0 0 0 17 14 1 0 0 0 0 18 6 2 0 0 0 0 19 20 2 0 0 0 0 20 9 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 15 1 0 0 0 0 25 24 1 0 0 0 0 10 9 1 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-00627) COL-00627 > (COL-00627) x > (COL-00627) tert-butyl 7-(((3-ethoxy-3-oxopropyl)amino)methyl)indoline-1-carboxylate > (COL-00627) 1g > (COL-00627) 5g > (COL-00627) 10g > (COL-00627) POA > (COL-00627) POA > (COL-00627) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 3 2 1 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00628) COL-00628 > (COL-00628) x > (COL-00628) benzo[b]thiophen-4-ylmethanamine > (COL-00628) 864264-04-0 > (COL-00628) MFCD16660691 > (COL-00628) 1g > (COL-00628) 5g > (COL-00628) 10g > (COL-00628) POA > (COL-00628) POA > (COL-00628) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 9 6 1 0 0 0 0 10 12 1 0 0 0 0 11 4 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 3 2 1 0 0 0 0 11 10 2 0 0 0 0 18 19 2 0 0 0 0 M END > (COL-00629) COL-00629 > (COL-00629) x > (COL-00629) N-(benzo[b]thiophen-4-ylmethyl)-2-phenylethanamine > (COL-00629) 1g > (COL-00629) 5g > (COL-00629) 10g > (COL-00629) POA > (COL-00629) POA > (COL-00629) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 13 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 16 1 0 0 0 0 15 5 1 0 0 0 0 16 8 2 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 4 2 1 0 0 0 0 15 14 2 0 0 0 0 M END > (COL-00630) COL-00630 > (COL-00630) x > (COL-00630) ethyl 3-((benzo[b]thiophen-4-ylmethyl)amino)propanoate > (COL-00630) 1g > (COL-00630) 5g > (COL-00630) 10g > (COL-00630) POA > (COL-00630) POA > (COL-00630) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 8 2 0 0 0 0 16 13 2 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 5 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00631) COL-00631 > (COL-00631) x > (COL-00631) x > (COL-00631) tert-butyl (4-(aminomethyl)benzo[d]thiazol-2-yl)carbamate > (COL-00631) 1g > (COL-00631) 5g > (COL-00631) 10g > (COL-00631) POA > (COL-00631) POA > (COL-00631) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 22 1 0 0 0 0 16 8 2 0 0 0 0 17 13 2 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 15 2 0 0 0 0 24 15 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 5 7 2 0 0 0 0 17 16 1 0 0 0 0 26 27 2 0 0 0 0 M END > (COL-00632) COL-00632 > (COL-00632) x > (COL-00632) x > (COL-00632) tert-butyl (4-((phenethylamino)methyl)benzo[d]thiazol-2-yl)carbamate > (COL-00632) 1g > (COL-00632) 5g > (COL-00632) 10g > (COL-00632) POA > (COL-00632) POA > (COL-00632) POA $$$$ -ISIS- 02091117132D 26 27 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 19 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 15 1 0 0 0 0 20 8 2 0 0 0 0 21 17 2 0 0 0 0 22 14 1 0 0 0 0 23 14 1 0 0 0 0 24 14 1 0 0 0 0 25 16 1 0 0 0 0 26 25 1 0 0 0 0 5 7 2 0 0 0 0 21 20 1 0 0 0 0 M END > (COL-00633) COL-00633 > (COL-00633) x > (COL-00633) x > (COL-00633) ethyl 3-(((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methyl)amino)propanoate > (COL-00633) 1g > (COL-00633) 5g > (COL-00633) 10g > (COL-00633) POA > (COL-00633) POA > (COL-00633) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 13 1 0 0 0 0 13 9 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00634) COL-00634 > (COL-00634) x > (COL-00634) (2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methanamine > (COL-00634) MFCD14546521 > (COL-00634) 1g > (COL-00634) 5g > (COL-00634) 10g > (COL-00634) POA > (COL-00634) POA > (COL-00634) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 13 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 14 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 20 21 2 0 0 0 0 M END > (COL-00635) COL-00635 > (COL-00635) x > (COL-00635) N-((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methyl)-2-phenylethanamine > (COL-00635) 1g > (COL-00635) 5g > (COL-00635) 10g > (COL-00635) POA > (COL-00635) POA > (COL-00635) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 18 1 0 0 0 0 12 10 2 0 0 0 0 13 17 1 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 19 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00636) COL-00636 > (COL-00636) x > (COL-00636) ethyl 3-(((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methyl)amino)propanoate > (COL-00636) 1g > (COL-00636) 5g > (COL-00636) 10g > (COL-00636) POA > (COL-00636) POA > (COL-00636) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 12 9 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00637) COL-00637 > (COL-00637) x > (COL-00637) quinolin-8-ylmethanamine > (COL-00637) 15402-71-8 > (COL-00637) MFCD08572158 > (COL-00637) 1g > (COL-00637) 5g > (COL-00637) 10g > (COL-00637) POA > (COL-00637) POA > (COL-00637) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 2 1 0 0 0 0 7 14 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 3 2 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 7 1 0 0 0 0 17 13 2 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 17 10 1 0 0 0 0 9 8 2 0 0 0 0 19 20 2 0 0 0 0 M END > (COL-00638) COL-00638 > (COL-00638) x > (COL-00638) 2-phenyl-N-(quinolin-8-ylmethyl)ethanamine > (COL-00638) 1g > (COL-00638) 5g > (COL-00638) 10g > (COL-00638) POA > (COL-00638) POA > (COL-00638) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 15 1 0 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 18 14 1 0 0 0 0 13 12 2 0 0 0 0 M END > (COL-00639) COL-00639 > (COL-00639) x > (COL-00639) ethyl 3-((quinolin-8-ylmethyl)amino)propanoate > (COL-00639) MFCD15469967 > (COL-00639) 1g > (COL-00639) 5g > (COL-00639) 10g > (COL-00639) POA > (COL-00639) POA > (COL-00639) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 7 2 0 0 0 0 13 4 2 0 0 0 0 9 11 2 0 0 0 0 12 5 1 0 0 0 0 M END > (COL-00640) COL-00640 > (COL-00640) x > (COL-00640) x > (COL-00640) (8-bromoquinolin-4-yl)methanamine > (COL-00640) 1g > (COL-00640) 5g > (COL-00640) 10g > (COL-00640) POA > (COL-00640) POA > (COL-00640) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 16 1 0 0 0 0 11 5 1 0 0 0 0 12 14 1 0 0 0 0 13 7 2 0 0 0 0 14 4 2 0 0 0 0 15 8 1 0 0 0 0 16 15 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 9 12 2 0 0 0 0 13 5 1 0 0 0 0 20 21 2 0 0 0 0 M END > (COL-00641) COL-00641 > (COL-00641) x > (COL-00641) x > (COL-00641) N-((8-bromoquinolin-4-yl)methyl)-2-phenylethanamine > (COL-00641) 1g > (COL-00641) 5g > (COL-00641) 10g > (COL-00641) POA > (COL-00641) POA > (COL-00641) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 14 1 0 0 0 0 7 2 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 4 1 0 0 0 0 13 2 1 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 18 1 0 0 0 0 17 10 2 0 0 0 0 18 5 2 0 0 0 0 19 12 1 0 0 0 0 20 19 1 0 0 0 0 13 16 2 0 0 0 0 17 7 1 0 0 0 0 M END > (COL-00642) COL-00642 > (COL-00642) x > (COL-00642) x > (COL-00642) ethyl 3-(((8-bromoquinolin-4-yl)methyl)amino)propanoate > (COL-00642) 1g > (COL-00642) 5g > (COL-00642) 10g > (COL-00642) POA > (COL-00642) POA > (COL-00642) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 6 4 2 0 0 0 0 12 9 1 0 0 0 0 M END > (COL-00643) COL-00643 > (COL-00643) x > (COL-00643) (1,8-naphthyridin-2-yl)methanamine > (COL-00643) 885270-90-6 > (COL-00643) MFCD08234744 > (COL-00643) 1g > (COL-00643) 5g > (COL-00643) 10g > (COL-00643) POA > (COL-00643) POA > (COL-00643) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 11 1 0 0 0 0 9 14 1 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 12 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 13 2 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 6 4 2 0 0 0 0 17 10 1 0 0 0 0 19 20 2 0 0 0 0 M END > (COL-00644) COL-00644 > (COL-00644) x > (COL-00644) N-((1,8-naphthyridin-2-yl)methyl)-2-phenylethanamine > (COL-00644) 1g > (COL-00644) 5g > (COL-00644) 10g > (COL-00644) POA > (COL-00644) POA > (COL-00644) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 13 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 15 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 4 2 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 12 1 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 9 6 2 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00645) COL-00645 > (COL-00645) x > (COL-00645) ethyl 3-(((1,8-naphthyridin-2-yl)methyl)amino)propanoate > (COL-00645) 1g > (COL-00645) 5g > (COL-00645) 10g > (COL-00645) POA > (COL-00645) POA > (COL-00645) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0292 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 11 1 0 0 0 0 13 16 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 6 15 1 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00646) COL-00646 > (COL-00646) x > (COL-00646) tert-butyl 7-(aminomethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00646) 886362-43-2 > (COL-00646) MFCD04115296 > (COL-00646) 1g > (COL-00646) 5g > (COL-00646) 10g > (COL-00646) POA > (COL-00646) POA > (COL-00646) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 11 1 0 0 0 0 13 17 1 0 0 0 0 14 22 1 0 0 0 0 15 9 1 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 21 13 1 0 0 0 0 22 21 1 0 0 0 0 23 14 1 0 0 0 0 24 14 2 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 25 2 0 0 0 0 6 16 1 0 0 0 0 10 12 2 0 0 0 0 27 26 1 0 0 0 0 M END > (COL-00647) COL-00647 > (COL-00647) x > (COL-00647) tert-butyl 7-((phenethylamino)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00647) 1g > (COL-00647) 5g > (COL-00647) 10g > (COL-00647) POA > (COL-00647) POA > (COL-00647) POA $$$$ -ISIS- 02091117132D 26 27 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 3 2 0 0 0 0 9 18 1 0 0 0 0 10 5 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 4 1 0 0 0 0 14 6 2 0 0 0 0 15 14 1 0 0 0 0 16 21 1 0 0 0 0 17 7 1 0 0 0 0 18 16 1 0 0 0 0 19 12 1 0 0 0 0 20 19 1 0 0 0 0 21 13 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 17 1 0 0 0 0 26 25 1 0 0 0 0 6 20 1 0 0 0 0 13 15 2 0 0 0 0 M END > (COL-00648) COL-00648 > (COL-00648) x > (COL-00648) tert-butyl 7-(((3-ethoxy-3-oxopropyl)amino)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00648) 1g > (COL-00648) 5g > (COL-00648) 10g > (COL-00648) POA > (COL-00648) POA > (COL-00648) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 2 5 2 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00649) COL-00649 > (COL-00649) x > (COL-00649) quinoxalin-2-ylmethanamine > (COL-00649) 131052-78-3 > (COL-00649) MFCD05664648 > (COL-00649) 1g > (COL-00649) 5g > (COL-00649) 10g > (COL-00649) POA > (COL-00649) POA > (COL-00649) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 9 1 0 0 0 0 8 13 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 10 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 2 5 2 0 0 0 0 12 17 2 0 0 0 0 19 20 2 0 0 0 0 M END > (COL-00650) COL-00650 > (COL-00650) x > (COL-00650) 2-phenyl-N-(quinoxalin-2-ylmethyl)ethanamine > (COL-00650) 1g > (COL-00650) 5g > (COL-00650) 10g > (COL-00650) POA > (COL-00650) POA > (COL-00650) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 12 1 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 13 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 6 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 2 6 2 0 0 0 0 15 19 2 0 0 0 0 M END > (COL-00651) COL-00651 > (COL-00651) x > (COL-00651) ethyl 3-((quinoxalin-2-ylmethyl)amino)propanoate > (COL-00651) MFCD15470120 > (COL-00651) 1g > (COL-00651) 5g > (COL-00651) 10g > (COL-00651) POA > (COL-00651) POA > (COL-00651) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 1 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 13 2 0 0 0 0 15 6 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-00652) COL-00652 > (COL-00652) x > (COL-00652) x > (COL-00652) (3'-bromo-[1,1'-biphenyl]-4-yl)methanamine > (COL-00652) MFCD05979643 > (COL-00652) 1g > (COL-00652) 5g > (COL-00652) 10g > (COL-00652) POA > (COL-00652) POA > (COL-00652) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 15 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 18 1 0 0 0 0 13 1 2 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 16 6 1 0 0 0 0 8 10 1 0 0 0 0 22 23 2 0 0 0 0 M END > (COL-00653) COL-00653 > (COL-00653) x > (COL-00653) x > (COL-00653) N-((3'-bromo-[1,1'-biphenyl]-4-yl)methyl)-2-phenylethanamine > (COL-00653) 1g > (COL-00653) 5g > (COL-00653) 10g > (COL-00653) POA > (COL-00653) POA > (COL-00653) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 4 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 12 14 1 0 0 0 0 13 1 1 0 0 0 0 14 19 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 2 2 0 0 0 0 18 17 1 0 0 0 0 19 10 1 0 0 0 0 20 18 2 0 0 0 0 21 13 1 0 0 0 0 22 21 1 0 0 0 0 3 7 2 0 0 0 0 20 9 1 0 0 0 0 M END > (COL-00654) COL-00654 > (COL-00654) x > (COL-00654) x > (COL-00654) ethyl 3-(((3'-bromo-[1,1'-biphenyl]-4-yl)methyl)amino)propanoate > (COL-00654) 1g > (COL-00654) 5g > (COL-00654) 10g > (COL-00654) POA > (COL-00654) POA > (COL-00654) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 12 14 2 0 0 0 0 6 8 1 0 0 0 0 M END > (COL-00655) COL-00655 > (COL-00655) x > (COL-00655) (4-(pyridin-2-yl)phenyl)methanamine > (COL-00655) 294647-97-5 > (COL-00655) MFCD11932623 > (COL-00655) 1g > (COL-00655) 5g > (COL-00655) 10g > (COL-00655) POA > (COL-00655) POA > (COL-00655) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 12 1 0 0 0 0 9 7 2 0 0 0 0 10 15 1 0 0 0 0 11 1 1 0 0 0 0 12 9 1 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 11 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 13 19 2 0 0 0 0 6 9 1 0 0 0 0 21 22 2 0 0 0 0 M END > (COL-00656) COL-00656 > (COL-00656) x > (COL-00656) 2-phenyl-N-(4-(pyridin-2-yl)benzyl)ethanamine > (COL-00656) 1g > (COL-00656) 5g > (COL-00656) 10g > (COL-00656) POA > (COL-00656) POA > (COL-00656) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 7 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 10 2 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 12 1 1 0 0 0 0 13 16 1 0 0 0 0 14 5 1 0 0 0 0 15 2 1 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 3 8 1 0 0 0 0 20 15 2 0 0 0 0 M END > (COL-00657) COL-00657 > (COL-00657) x > (COL-00657) ethyl 3-((4-(pyridin-2-yl)benzyl)amino)propanoate > (COL-00657) 1g > (COL-00657) 5g > (COL-00657) 10g > (COL-00657) POA > (COL-00657) POA > (COL-00657) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 11 1 0 0 0 0 4 12 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 1 2 0 0 0 0 12 1 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 5 3 2 0 0 0 0 8 10 1 0 0 0 0 M END > (COL-00658) COL-00658 > (COL-00658) x > (COL-00658) (4-(pyrimidin-5-yl)phenyl)methanamine > (COL-00658) MFCD11932684 > (COL-00658) 1g > (COL-00658) 5g > (COL-00658) 10g > (COL-00658) POA > (COL-00658) POA > (COL-00658) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 15 1 0 0 0 0 11 9 2 0 0 0 0 12 1 1 0 0 0 0 13 1 2 0 0 0 0 14 17 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 5 4 1 0 0 0 0 8 11 1 0 0 0 0 21 22 2 0 0 0 0 M END > (COL-00659) COL-00659 > (COL-00659) x > (COL-00659) 2-phenyl-N-(4-(pyrimidin-5-yl)benzyl)ethanamine > (COL-00659) 1g > (COL-00659) 5g > (COL-00659) 10g > (COL-00659) POA > (COL-00659) POA > (COL-00659) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 9 2 0 0 0 0 4 16 2 0 0 0 0 5 17 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 1 1 0 0 0 0 15 19 1 0 0 0 0 16 2 1 0 0 0 0 17 2 2 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 14 1 0 0 0 0 21 20 1 0 0 0 0 3 10 1 0 0 0 0 8 4 1 0 0 0 0 M END > (COL-00660) COL-00660 > (COL-00660) x > (COL-00660) ethyl 3-((4-(pyrimidin-5-yl)benzyl)amino)propanoate > (COL-00660) 1g > (COL-00660) 5g > (COL-00660) 10g > (COL-00660) POA > (COL-00660) POA > (COL-00660) POA $$$$ -ISIS- 02091117132D 12 14 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7875 -13.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7875 -12.3250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.9417 -13.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9417 -11.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7875 -14.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7875 -13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4750 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 2 0 0 0 0 10 4 1 0 0 0 0 9 3 1 0 0 0 0 11 3 1 0 0 0 0 M END > (COL-00661) COL-00661 > (COL-00661) x > (COL-00661) (1s,3s)-adamantane-1-carbaldehyde > (COL-00661) 1g > (COL-00661) 5g > (COL-00661) 10g > (COL-00661) $129.00 > (COL-00661) $484.00 > (COL-00661) $774.00 $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.2542 -13.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.2542 -12.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -12.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00662) COL-00662 > (COL-00662) x > (COL-00662) 1-methyl-1H-imidazole-5-carbaldehyde > (COL-00662) 39021-62-0 > (COL-00662) MFCD00030439 > (COL-00662) 1g > (COL-00662) 5g > (COL-00662) 10g > (COL-00662) $135.00 > (COL-00662) $507.00 > (COL-00662) $810.00 $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4792 -11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00663) COL-00663 > (COL-00663) x > (COL-00663) 4-methylthiazole-5-carbaldehyde > (COL-00663) 82294-70-0 > (COL-00663) MFCD07368277 > (COL-00663) 1g > (COL-00663) 5g > (COL-00663) 10g > (COL-00663) $23.00 > (COL-00663) $85.00 > (COL-00663) $135.00 $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.7542 -13.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4792 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 2 3 1 0 0 0 0 M END > (COL-00664) COL-00664 > (COL-00664) x > (COL-00664) 2-methylthiazole-5-carbaldehyde > (COL-00664) 1003-60-7 > (COL-00664) MFCD09864617 > (COL-00664) 1g > (COL-00664) 5g > (COL-00664) 10g > (COL-00664) $90.00 > (COL-00664) $338.00 > (COL-00664) $540.00 $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.1792 -12.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4792 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00665) COL-00665 > (COL-00665) x > (COL-00665) 5-methyl-1,3,4-thiadiazole-2-carbaldehyde > (COL-00665) MFCD10700256 > (COL-00665) 1g > (COL-00665) 5g > (COL-00665) 10g > (COL-00665) $540.00 > (COL-00665) $2,025.00 > (COL-00665) $3,240.00 $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4792 -14.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4542 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9417 -13.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9417 -15.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -13.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -14.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8917 -13.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00666) COL-00666 > (COL-00666) x > (COL-00666) x > (COL-00666) tert-butyl (5-formylthiazol-2-yl)carbamate > (COL-00666) 391668-77-2 > (COL-00666) MFCD09834789 > (COL-00666) 1g > (COL-00666) 5g > (COL-00666) 10g > (COL-00666) $113.00 > (COL-00666) $422.00 > (COL-00666) $675.00 $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4792 -14.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4542 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9417 -13.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9417 -15.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -13.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -14.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9167 -12.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8917 -13.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 10 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 11 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00667) COL-00667 > (COL-00667) x > (COL-00667) x > (COL-00667) tert-butyl (4-formylthiazol-2-yl)carbamate > (COL-00667) 494769-34-5 > (COL-00667) MFCD08275704 > (COL-00667) 1g > (COL-00667) 5g > (COL-00667) 10g > (COL-00667) $113.00 > (COL-00667) $422.00 > (COL-00667) $675.00 $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -13.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00668) COL-00668 > (COL-00668) x > (COL-00668) x > (COL-00668) 2,6-dibromobenzaldehyde > (COL-00668) 67713-23-9 > (COL-00668) MFCD11040410 > (COL-00668) 1g > (COL-00668) 5g > (COL-00668) 10g > (COL-00668) $71.00 > (COL-00668) $265.00 > (COL-00668) $423.00 $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -10.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7792 -12.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 7 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00669) COL-00669 > (COL-00669) x > (COL-00669) x > (COL-00669) x > (COL-00669) 2-chloro-6-formylbenzonitrile > (COL-00669) 77532-86-6 > (COL-00669) MFCD10699534 > (COL-00669) 1g > (COL-00669) 5g > (COL-00669) 10g > (COL-00669) $444.00 > (COL-00669) $1,665.00 > (COL-00669) $2,664.00 $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7792 -12.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -14.9542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00670) COL-00670 > (COL-00670) x > (COL-00670) x > (COL-00670) x > (COL-00670) 3,5-dibromo-2-hydroxybenzaldehyde > (COL-00670) 90-59-5 > (COL-00670) MFCD00003318 > (COL-00670) 1g > (COL-00670) 5g > (COL-00670) 10g > (COL-00670) $14.00 > (COL-00670) $51.00 > (COL-00670) $84.00 $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -13.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 2 9 2 0 0 0 0 M END > (COL-00671) COL-00671 > (COL-00671) x > (COL-00671) x > (COL-00671) 3,5-dibromoisonicotinaldehyde > (COL-00671) 70201-42-2 > (COL-00671) MFCD06410681 > (COL-00671) 1g > (COL-00671) 5g > (COL-00671) 10g > (COL-00671) $84.00 > (COL-00671) $315.00 > (COL-00671) $504.00 $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7292 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6792 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6500 -13.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 13 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 11 1 0 0 0 0 2 5 2 0 0 0 0 11 12 2 0 0 0 0 M END > (COL-00672) COL-00672 > (COL-00672) x > (COL-00672) x > (COL-00672) 5-(4-bromophenyl)isoxazole-3-carbaldehyde > (COL-00672) 640292-04-2 > (COL-00672) MFCD06199346 > (COL-00672) 1g > (COL-00672) 5g > (COL-00672) 10g > (COL-00672) $203.00 > (COL-00672) $760.00 > (COL-00672) $1,215.00 $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.1792 -12.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7292 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6792 -13.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 11 2 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 12 2 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 3 5 1 0 0 0 0 7 10 1 0 0 0 0 M END > (COL-00673) COL-00673 > (COL-00673) x > (COL-00673) 2-(pyridin-4-yl)thiazole-4-carbaldehyde > (COL-00673) MFCD11587910 > (COL-00673) 1g > (COL-00673) 5g > (COL-00673) 10g > (COL-00673) $273.00 > (COL-00673) $1,024.00 > (COL-00673) $1,638.00 $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7292 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -12.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -12.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 -14.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2167 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6792 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -13.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 10 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 5 4 2 0 0 0 0 13 8 1 0 0 0 0 M END > (COL-00674) COL-00674 > (COL-00674) x > (COL-00674) 4-methyl-2-(pyridin-3-yl)thiazole-5-carbaldehyde > (COL-00674) 958443-39-5 > (COL-00674) MFCD12198119 > (COL-00674) 1g > (COL-00674) 5g > (COL-00674) 10g > (COL-00674) $272.00 > (COL-00674) $1,019.00 > (COL-00674) $1,629.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2542 -13.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -14.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -13.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -14.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00675) COL-00675 > (COL-00675) x > (COL-00675) benzofuran-2-carbaldehyde > (COL-00675) 4265-16-1 > (COL-00675) MFCD00015463 > (COL-00675) 1g > (COL-00675) 5g > (COL-00675) 10g > (COL-00675) $56.00 > (COL-00675) $209.00 > (COL-00675) $333.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2542 -13.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -14.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -13.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -14.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 3 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00676) COL-00676 > (COL-00676) x > (COL-00676) benzo[b]thiophene-2-carbaldehyde > (COL-00676) 3541-37-5 > (COL-00676) MFCD01075041 > (COL-00676) 1g > (COL-00676) 5g > (COL-00676) 10g > (COL-00676) $71.00 > (COL-00676) $265.00 > (COL-00676) $423.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -12.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 3 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00677) COL-00677 > (COL-00677) x > (COL-00677) benzofuran-3-carbaldehyde > (COL-00677) 4687-25-6 > (COL-00677) MFCD03412541 > (COL-00677) 1g > (COL-00677) 5g > (COL-00677) 10g > (COL-00677) $92.00 > (COL-00677) $344.00 > (COL-00677) $549.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -12.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -12.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 2 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00678) COL-00678 > (COL-00678) x > (COL-00678) benzo[b]thiophene-3-carbaldehyde > (COL-00678) 5381-20-4 > (COL-00678) MFCD00052376 > (COL-00678) 1g > (COL-00678) 5g > (COL-00678) 10g > (COL-00678) $34.00 > (COL-00678) $126.00 > (COL-00678) $202.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.1792 -12.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -12.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 2 5 1 0 0 0 0 6 9 2 0 0 0 0 M END > (COL-00679) COL-00679 > (COL-00679) x > (COL-00679) imidazo[1,2-a]pyrazine-3-carbaldehyde > (COL-00679) 106012-58-2 > (COL-00679) MFCD09027562 > (COL-00679) 1g > (COL-00679) 5g > (COL-00679) 10g > (COL-00679) $240.00 > (COL-00679) $900.00 > (COL-00679) $1,440.00 $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.1792 -12.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -12.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 -14.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 3 5 1 0 0 0 0 10 7 2 0 0 0 0 M END > (COL-00680) COL-00680 > (COL-00680) x > (COL-00680) 2-methylimidazo[1,2-a]pyridine-3-carbaldehyde > (COL-00680) 30384-93-1 > (COL-00680) MFCD02251327 > (COL-00680) 1g > (COL-00680) 5g > (COL-00680) 10g > (COL-00680) $240.00 > (COL-00680) $900.00 > (COL-00680) $1,440.00 $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.1792 -12.2250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.7542 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1792 -13.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5792 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7250 -12.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5417 -11.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1167 -12.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4667 -14.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0875 -11.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00681) COL-00681 > (COL-00681) x > (COL-00681) 2,7-dimethylimidazo[1,2-a]pyridine-3-carbaldehyde > (COL-00681) 820245-84-9 > (COL-00681) MFCD03788999 > (COL-00681) 1g > (COL-00681) 5g > (COL-00681) 10g > (COL-00681) $273.00 > (COL-00681) $1,024.00 > (COL-00681) $1,638.00 $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.7167 -11.0875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.0667 -10.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6917 -10.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3750 -9.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6750 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1167 -10.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3625 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0875 -11.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7542 -8.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8292 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9917 -12.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6750 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3625 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -8.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1417 -7.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 -9.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 6 2 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 9 8 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00682) COL-00682 > (COL-00682) x > (COL-00682) tert-butyl 7-formylindoline-1-carboxylate > (COL-00682) 174539-67-4 > (COL-00682) MFCD02187200 > (COL-00682) 1g > (COL-00682) 5g > (COL-00682) 10g > (COL-00682) $116.00 > (COL-00682) $434.00 > (COL-00682) $693.00 $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6667 -11.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.2667 -10.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3000 -11.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 3 2 1 0 0 0 0 10 9 2 0 0 0 0 M END > (COL-00683) COL-00683 > (COL-00683) x > (COL-00683) benzo[b]thiophene-4-carbaldehyde > (COL-00683) 1g > (COL-00683) 5g > (COL-00683) 10g > (COL-00683) $480.00 > (COL-00683) $1,800.00 > (COL-00683) $2,880.00 $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 21.2667 -10.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3000 -11.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6667 -11.8750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7542 -10.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -10.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2167 -9.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2167 -10.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 -9.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1667 -9.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 -10.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 -8.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 15 8 2 0 0 0 0 16 14 2 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 5 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00684) COL-00684 > (COL-00684) x > (COL-00684) x > (COL-00684) tert-butyl (4-formylbenzo[d]thiazol-2-yl)carbamate > (COL-00684) MFCD15072118 > (COL-00684) 1g > (COL-00684) 5g > (COL-00684) 10g > (COL-00684) $143.00 > (COL-00684) $535.00 > (COL-00684) $855.00 $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.8667 -12.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8667 -13.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4417 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -14.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4125 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 5 4 2 0 0 0 0 6 9 2 0 0 0 0 M END > (COL-00685) COL-00685 > (COL-00685) x > (COL-00685) 2,3-dimethylimidazo[1,2-a]pyridine-7-carbaldehyde > (COL-00685) 1g > (COL-00685) 5g > (COL-00685) 10g > (COL-00685) $594.00 > (COL-00685) $2,228.00 > (COL-00685) $3,564.00 $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 12 9 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00686) COL-00686 > (COL-00686) x > (COL-00686) quinoline-8-carbaldehyde > (COL-00686) 38707-70-9 > (COL-00686) MFCD00805837 > (COL-00686) 1g > (COL-00686) 5g > (COL-00686) 10g > (COL-00686) $56.00 > (COL-00686) $209.00 > (COL-00686) $333.00 $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -12.5208 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -10.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 9 2 0 0 0 0 13 4 2 0 0 0 0 10 11 2 0 0 0 0 12 5 1 0 0 0 0 M END > (COL-00687) COL-00687 > (COL-00687) x > (COL-00687) x > (COL-00687) 8-bromoquinoline-4-carbaldehyde > (COL-00687) 898391-87-2 > (COL-00687) MFCD06824368 > (COL-00687) 1g > (COL-00687) 5g > (COL-00687) 10g > (COL-00687) $116.00 > (COL-00687) $434.00 > (COL-00687) $693.00 $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2542 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -14.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -15.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 7 4 2 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00688) COL-00688 > (COL-00688) x > (COL-00688) 1,8-naphthyridine-2-carbaldehyde > (COL-00688) 64379-45-9 > (COL-00688) MFCD04971934 > (COL-00688) 1g > (COL-00688) 5g > (COL-00688) 10g > (COL-00688) $143.00 > (COL-00688) $535.00 > (COL-00688) $855.00 $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.1000 -14.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -15.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -16.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -14.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -16.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.9417 -15.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9000 -17.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5667 -17.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9250 -16.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 6 2 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 9 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 6 16 1 0 0 0 0 8 14 2 0 0 0 0 M END > (COL-00689) COL-00689 > (COL-00689) x > (COL-00689) tert-butyl 7-formyl-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00689) 1g > (COL-00689) 5g > (COL-00689) 10g > (COL-00689) $375.00 > (COL-00689) $1,407.00 > (COL-00689) $2,250.00 $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2542 -13.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -15.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 8 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 2 5 2 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00690) COL-00690 > (COL-00690) x > (COL-00690) quinoxaline-2-carbaldehyde > (COL-00690) 1593-08-4 > (COL-00690) MFCD00272280 > (COL-00690) 1g > (COL-00690) 5g > (COL-00690) 10g > (COL-00690) $95.00 > (COL-00690) $355.00 > (COL-00690) $567.00 $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3167 -13.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -15.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 3 2 0 0 0 0 9 11 2 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 1 2 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 15 8 1 0 0 0 0 10 9 1 0 0 0 0 M END > (COL-00691) COL-00691 > (COL-00691) x > (COL-00691) x > (COL-00691) 3'-bromo-[1,1'-biphenyl]-4-carbaldehyde > (COL-00691) 400749-87-3 > (COL-00691) MFCD05979167 > (COL-00691) 1g > (COL-00691) 5g > (COL-00691) 10g > (COL-00691) $143.00 > (COL-00691) $535.00 > (COL-00691) $855.00 $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.7875 -14.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -15.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 12 14 2 0 0 0 0 10 8 1 0 0 0 0 M END > (COL-00692) COL-00692 > (COL-00692) x > (COL-00692) 4-(pyridin-2-yl)benzaldehyde > (COL-00692) 127406-56-8 > (COL-00692) MFCD01863537 > (COL-00692) 1g > (COL-00692) 5g > (COL-00692) 10g > (COL-00692) $140.00 > (COL-00692) $524.00 > (COL-00692) $837.00 $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.7875 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -15.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -13.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4750 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -13.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9417 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -12.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1000 -12.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2542 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6292 -13.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7875 -14.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 13 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 1 1 0 0 0 0 14 1 2 0 0 0 0 5 4 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00693) COL-00693 > (COL-00693) x > (COL-00693) 4-(pyrimidin-5-yl)benzaldehyde > (COL-00693) 198084-12-7 > (COL-00693) MFCD02684108 > (COL-00693) 1g > (COL-00693) 5g > (COL-00693) 10g > (COL-00693) $140.00 > (COL-00693) $524.00 > (COL-00693) $837.00 $$$$ -ISIS- 02091117132D 13 15 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7417 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 12 8 1 0 0 0 0 11 7 1 0 0 0 0 10 7 1 0 0 0 0 M END > (COL-00694) COL-00694 > (COL-00694) x > (COL-00694) (1s,3s)-adamantane-1-carboxylic acid > (COL-00694) 828-51-3 > (COL-00694) MFCD00074720 > (COL-00694) 1g > (COL-00694) 5g > (COL-00694) 10g > (COL-00694) POA > (COL-00694) POA > (COL-00694) POA $$$$ -ISIS- 02091117132D 21 24 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 9 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 6 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 21 2 0 0 0 0 20 19 1 0 0 0 0 21 17 1 0 0 0 0 12 8 1 0 0 0 0 11 7 1 0 0 0 0 13 7 1 0 0 0 0 20 16 2 0 0 0 0 M END > (COL-00695) COL-00695 > (COL-00695) x > (COL-00695) x > (COL-00695) (1s,3s)-N-(3-aminobenzyl)adamantane-1-carboxamide > (COL-00695) 1g > (COL-00695) 5g > (COL-00695) 10g > (COL-00695) POA > (COL-00695) POA > (COL-00695) POA $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 16 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 12 8 1 0 0 0 0 11 7 1 0 0 0 0 10 7 1 0 0 0 0 M END > (COL-00696) COL-00696 > (COL-00696) x > (COL-00696) x > (COL-00696) (1s,3s)-N-(2-aminoethyl)adamantane-1-carboxamide > (COL-00696) MFCD09736728 > (COL-00696) 1g > (COL-00696) 5g > (COL-00696) 10g > (COL-00696) POA > (COL-00696) POA > (COL-00696) POA $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 3 6 2 0 0 0 0 M END > (COL-00697) COL-00697 > (COL-00697) x > (COL-00697) 1-methyl-1H-imidazole-5-carboxylic acid > (COL-00697) 41806-40-0 > (COL-00697) MFCD00955677 > (COL-00697) 1g > (COL-00697) 5g > (COL-00697) 10g > (COL-00697) POA > (COL-00697) POA > (COL-00697) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 4 6 2 0 0 0 0 16 11 2 0 0 0 0 M END > (COL-00698) COL-00698 > (COL-00698) x > (COL-00698) x > (COL-00698) N-(3-aminobenzyl)-1-methyl-1H-imidazole-5-carboxamide > (COL-00698) 1g > (COL-00698) 5g > (COL-00698) 10g > (COL-00698) POA > (COL-00698) POA > (COL-00698) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 3 6 2 0 0 0 0 M END > (COL-00699) COL-00699 > (COL-00699) x > (COL-00699) x > (COL-00699) N-(2-aminoethyl)-1-methyl-1H-imidazole-5-carboxamide > (COL-00699) 1g > (COL-00699) 5g > (COL-00699) 10g > (COL-00699) POA > (COL-00699) POA > (COL-00699) POA $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00700) COL-00700 > (COL-00700) x > (COL-00700) 4-methylthiazole-5-carboxylic acid > (COL-00700) 20485-41-0 > (COL-00700) MFCD00626872 > (COL-00700) 1g > (COL-00700) 5g > (COL-00700) 10g > (COL-00700) POA > (COL-00700) POA > (COL-00700) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 4 6 2 0 0 0 0 16 11 2 0 0 0 0 M END > (COL-00701) COL-00701 > (COL-00701) x > (COL-00701) x > (COL-00701) N-(3-aminobenzyl)-4-methylthiazole-5-carboxamide > (COL-00701) 1g > (COL-00701) 5g > (COL-00701) 10g > (COL-00701) POA > (COL-00701) POA > (COL-00701) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00702) COL-00702 > (COL-00702) x > (COL-00702) x > (COL-00702) N-(2-aminoethyl)-4-methylthiazole-5-carboxamide > (COL-00702) MFCD09815784 > (COL-00702) 1g > (COL-00702) 5g > (COL-00702) 10g > (COL-00702) POA > (COL-00702) POA > (COL-00702) POA $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 3 6 2 0 0 0 0 M END > (COL-00703) COL-00703 > (COL-00703) x > (COL-00703) 2-methylthiazole-5-carboxylic acid > (COL-00703) 40004-69-1 > (COL-00703) MFCD01760300 > (COL-00703) 1g > (COL-00703) 5g > (COL-00703) 10g > (COL-00703) POA > (COL-00703) POA > (COL-00703) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 6 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 3 6 2 0 0 0 0 16 11 2 0 0 0 0 M END > (COL-00704) COL-00704 > (COL-00704) x > (COL-00704) x > (COL-00704) N-(3-aminobenzyl)-2-methylthiazole-5-carboxamide > (COL-00704) 1g > (COL-00704) 5g > (COL-00704) 10g > (COL-00704) POA > (COL-00704) POA > (COL-00704) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 3 6 2 0 0 0 0 M END > (COL-00705) COL-00705 > (COL-00705) x > (COL-00705) x > (COL-00705) N-(2-aminoethyl)-2-methylthiazole-5-carboxamide > (COL-00705) 1g > (COL-00705) 5g > (COL-00705) 10g > (COL-00705) POA > (COL-00705) POA > (COL-00705) POA $$$$ -ISIS- 02091117132D 9 9 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00706) COL-00706 > (COL-00706) x > (COL-00706) 5-methyl-1,3,4-thiadiazole-2-carboxylic acid > (COL-00706) 501698-31-3 > (COL-00706) MFCD11977341 > (COL-00706) 1g > (COL-00706) 5g > (COL-00706) 10g > (COL-00706) POA > (COL-00706) POA > (COL-00706) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 6 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 12 1 0 0 0 0 4 6 2 0 0 0 0 16 11 2 0 0 0 0 M END > (COL-00707) COL-00707 > (COL-00707) x > (COL-00707) x > (COL-00707) N-(3-aminobenzyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide > (COL-00707) 1g > (COL-00707) 5g > (COL-00707) 10g > (COL-00707) POA > (COL-00707) POA > (COL-00707) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 4 6 2 0 0 0 0 M END > (COL-00708) COL-00708 > (COL-00708) x > (COL-00708) x > (COL-00708) N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide > (COL-00708) 1g > (COL-00708) 5g > (COL-00708) 10g > (COL-00708) POA > (COL-00708) POA > (COL-00708) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4125 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8417 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 4 2 2 0 0 0 0 M END > (COL-00709) COL-00709 > (COL-00709) x > (COL-00709) x > (COL-00709) 2-((tert-butoxycarbonyl)amino)thiazole-5-carboxylic acid > (COL-00709) 302964-02-9 > (COL-00709) MFCD06796614 > (COL-00709) 1g > (COL-00709) 5g > (COL-00709) 10g > (COL-00709) POA > (COL-00709) POA > (COL-00709) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 24 2 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 4 2 2 0 0 0 0 23 16 2 0 0 0 0 M END > (COL-00710) COL-00710 > (COL-00710) x > (COL-00710) x > (COL-00710) tert-butyl (5-((3-aminobenzyl)carbamoyl)thiazol-2-yl)carbamate > (COL-00710) 1g > (COL-00710) 5g > (COL-00710) 10g > (COL-00710) POA > (COL-00710) POA > (COL-00710) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 19 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 4 2 2 0 0 0 0 M END > (COL-00711) COL-00711 > (COL-00711) x > (COL-00711) x > (COL-00711) tert-butyl (5-((2-aminoethyl)carbamoyl)thiazol-2-yl)carbamate > (COL-00711) 1g > (COL-00711) 5g > (COL-00711) 10g > (COL-00711) POA > (COL-00711) POA > (COL-00711) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4125 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8417 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00712) COL-00712 > (COL-00712) x > (COL-00712) x > (COL-00712) 2-((tert-butoxycarbonyl)amino)thiazole-4-carboxylic acid > (COL-00712) 83673-98-7 > (COL-00712) MFCD02181057 > (COL-00712) 1g > (COL-00712) 5g > (COL-00712) 10g > (COL-00712) POA > (COL-00712) POA > (COL-00712) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 1 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 24 2 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 7 3 1 0 0 0 0 23 16 2 0 0 0 0 M END > (COL-00713) COL-00713 > (COL-00713) x > (COL-00713) x > (COL-00713) tert-butyl (4-((3-aminobenzyl)carbamoyl)thiazol-2-yl)carbamate > (COL-00713) 1g > (COL-00713) 5g > (COL-00713) 10g > (COL-00713) POA > (COL-00713) POA > (COL-00713) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 19 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 6 3 1 0 0 0 0 M END > (COL-00714) COL-00714 > (COL-00714) x > (COL-00714) x > (COL-00714) tert-butyl (4-((2-aminoethyl)carbamoyl)thiazol-2-yl)carbamate > (COL-00714) 1g > (COL-00714) 5g > (COL-00714) 10g > (COL-00714) POA > (COL-00714) POA > (COL-00714) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00715) COL-00715 > (COL-00715) x > (COL-00715) x > (COL-00715) 2,6-dibromobenzoic acid > (COL-00715) 601-84-3 > (COL-00715) MFCD00234254 > (COL-00715) 1g > (COL-00715) 5g > (COL-00715) 10g > (COL-00715) POA > (COL-00715) POA > (COL-00715) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 5 2 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 14 16 2 0 0 0 0 18 11 2 0 0 0 0 M END > (COL-00716) COL-00716 > (COL-00716) x > (COL-00716) x > (COL-00716) x > (COL-00716) N-(3-aminobenzyl)-2,6-dibromobenzamide > (COL-00716) 1g > (COL-00716) 5g > (COL-00716) 10g > (COL-00716) POA > (COL-00716) POA > (COL-00716) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 10 11 1 0 0 0 0 M END > (COL-00717) COL-00717 > (COL-00717) x > (COL-00717) x > (COL-00717) x > (COL-00717) N-(2-aminoethyl)-2,6-dibromobenzamide > (COL-00717) 1g > (COL-00717) 5g > (COL-00717) 10g > (COL-00717) POA > (COL-00717) POA > (COL-00717) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 3 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 2 2 0 0 0 0 11 12 2 0 0 0 0 12 6 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00718) COL-00718 > (COL-00718) x > (COL-00718) x > (COL-00718) x > (COL-00718) 3-chloro-2-cyanobenzoic acid > (COL-00718) 1g > (COL-00718) 5g > (COL-00718) 10g > (COL-00718) POA > (COL-00718) POA > (COL-00718) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 3 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 14 12 1 0 0 0 0 15 2 2 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 13 1 0 0 0 0 16 15 1 0 0 0 0 19 12 2 0 0 0 0 M END > (COL-00719) COL-00719 > (COL-00719) x > (COL-00719) x > (COL-00719) x > (COL-00719) x > (COL-00719) N-(3-aminobenzyl)-3-chloro-2-cyanobenzamide > (COL-00719) 1g > (COL-00719) 5g > (COL-00719) 10g > (COL-00719) POA > (COL-00719) POA > (COL-00719) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 3 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 15 1 0 0 0 0 11 2 2 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00720) COL-00720 > (COL-00720) x > (COL-00720) x > (COL-00720) x > (COL-00720) x > (COL-00720) N-(2-aminoethyl)-3-chloro-2-cyanobenzamide > (COL-00720) 1g > (COL-00720) 5g > (COL-00720) 10g > (COL-00720) POA > (COL-00720) POA > (COL-00720) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 7 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00721) COL-00721 > (COL-00721) x > (COL-00721) x > (COL-00721) x > (COL-00721) 3,5-dibromo-2-hydroxybenzoic acid > (COL-00721) 3147-55-5 > (COL-00721) MFCD00002441 > (COL-00721) 1g > (COL-00721) 5g > (COL-00721) 10g > (COL-00721) POA > (COL-00721) POA > (COL-00721) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 8 2 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 20 2 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 5 4 1 0 0 0 0 19 15 2 0 0 0 0 M END > (COL-00722) COL-00722 > (COL-00722) x > (COL-00722) x > (COL-00722) x > (COL-00722) x > (COL-00722) N-(3-aminobenzyl)-3,5-dibromo-2-hydroxybenzamide > (COL-00722) 1g > (COL-00722) 5g > (COL-00722) 10g > (COL-00722) POA > (COL-00722) POA > (COL-00722) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 7 2 0 0 0 0 6 1 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 5 4 1 0 0 0 0 M END > (COL-00723) COL-00723 > (COL-00723) x > (COL-00723) x > (COL-00723) x > (COL-00723) x > (COL-00723) N-(2-aminoethyl)-3,5-dibromo-2-hydroxybenzamide > (COL-00723) 1g > (COL-00723) 5g > (COL-00723) 10g > (COL-00723) POA > (COL-00723) POA > (COL-00723) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 3 11 1 0 0 0 0 M END > (COL-00724) COL-00724 > (COL-00724) x > (COL-00724) x > (COL-00724) 3,5-dibromoisonicotinic acid > (COL-00724) 13958-91-3 > (COL-00724) MFCD08689615 > (COL-00724) 1g > (COL-00724) 5g > (COL-00724) 10g > (COL-00724) POA > (COL-00724) POA > (COL-00724) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 15 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 6 2 0 0 0 0 16 5 1 0 0 0 0 17 19 2 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 4 16 2 0 0 0 0 18 12 2 0 0 0 0 M END > (COL-00725) COL-00725 > (COL-00725) x > (COL-00725) x > (COL-00725) x > (COL-00725) N-(3-aminobenzyl)-3,5-dibromoisonicotinamide > (COL-00725) 1g > (COL-00725) 5g > (COL-00725) 10g > (COL-00725) POA > (COL-00725) POA > (COL-00725) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 3 11 1 0 0 0 0 M END > (COL-00726) COL-00726 > (COL-00726) x > (COL-00726) x > (COL-00726) x > (COL-00726) N-(2-aminoethyl)-3,5-dibromoisonicotinamide > (COL-00726) 1g > (COL-00726) 5g > (COL-00726) 10g > (COL-00726) POA > (COL-00726) POA > (COL-00726) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6042 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 14 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 12 1 0 0 0 0 4 5 1 0 0 0 0 12 13 2 0 0 0 0 M END > (COL-00727) COL-00727 > (COL-00727) x > (COL-00727) x > (COL-00727) 5-(4-bromophenyl)isoxazole-3-carboxylic acid > (COL-00727) 33282-23-4 > (COL-00727) MFCD06245167 > (COL-00727) 1g > (COL-00727) 5g > (COL-00727) 10g > (COL-00727) POA > (COL-00727) POA > (COL-00727) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 19 2 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 10 2 0 0 0 0 19 11 1 0 0 0 0 20 13 1 0 0 0 0 21 23 2 0 0 0 0 22 21 1 0 0 0 0 23 16 1 0 0 0 0 4 5 1 0 0 0 0 13 18 1 0 0 0 0 22 15 2 0 0 0 0 M END > (COL-00728) COL-00728 > (COL-00728) x > (COL-00728) x > (COL-00728) x > (COL-00728) N-(3-aminobenzyl)-5-(4-bromophenyl)isoxazole-3-carboxamide > (COL-00728) 1g > (COL-00728) 5g > (COL-00728) 10g > (COL-00728) POA > (COL-00728) POA > (COL-00728) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 13 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 12 1 0 0 0 0 16 18 1 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 4 5 1 0 0 0 0 12 14 1 0 0 0 0 M END > (COL-00729) COL-00729 > (COL-00729) x > (COL-00729) x > (COL-00729) x > (COL-00729) N-(2-aminoethyl)-5-(4-bromophenyl)isoxazole-3-carboxamide > (COL-00729) 1g > (COL-00729) 5g > (COL-00729) 10g > (COL-00729) POA > (COL-00729) POA > (COL-00729) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 12 2 0 0 0 0 10 6 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 3 4 1 0 0 0 0 9 11 1 0 0 0 0 M END > (COL-00730) COL-00730 > (COL-00730) x > (COL-00730) 2-(pyridin-4-yl)thiazole-4-carboxylic acid > (COL-00730) 21278-86-4 > (COL-00730) MFCD00171745 > (COL-00730) 1g > (COL-00730) 5g > (COL-00730) 10g > (COL-00730) POA > (COL-00730) POA > (COL-00730) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 5 2 0 0 0 0 10 18 2 0 0 0 0 11 7 1 0 0 0 0 12 14 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 22 2 0 0 0 0 17 19 2 0 0 0 0 18 20 1 0 0 0 0 19 8 1 0 0 0 0 20 8 2 0 0 0 0 21 16 1 0 0 0 0 22 14 1 0 0 0 0 3 4 1 0 0 0 0 10 17 1 0 0 0 0 21 13 2 0 0 0 0 M END > (COL-00731) COL-00731 > (COL-00731) x > (COL-00731) x > (COL-00731) N-(3-aminobenzyl)-2-(pyridin-4-yl)thiazole-4-carboxamide > (COL-00731) 1g > (COL-00731) 5g > (COL-00731) 10g > (COL-00731) POA > (COL-00731) POA > (COL-00731) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 13 1 0 0 0 0 10 6 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 7 2 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 3 4 1 0 0 0 0 9 12 2 0 0 0 0 M END > (COL-00732) COL-00732 > (COL-00732) x > (COL-00732) x > (COL-00732) N-(2-aminoethyl)-2-(pyridin-4-yl)thiazole-4-carboxamide > (COL-00732) 1g > (COL-00732) 5g > (COL-00732) 10g > (COL-00732) POA > (COL-00732) POA > (COL-00732) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 11 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 3 4 2 0 0 0 0 14 9 1 0 0 0 0 M END > (COL-00733) COL-00733 > (COL-00733) x > (COL-00733) 4-methyl-2-(pyridin-3-yl)thiazole-5-carboxylic acid > (COL-00733) 39091-01-5 > (COL-00733) MFCD00171753 > (COL-00733) 1g > (COL-00733) 5g > (COL-00733) 10g > (COL-00733) POA > (COL-00733) POA > (COL-00733) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 12 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 18 7 2 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 21 19 1 0 0 0 0 22 15 1 0 0 0 0 23 18 1 0 0 0 0 3 4 2 0 0 0 0 20 10 1 0 0 0 0 21 14 2 0 0 0 0 M END > (COL-00734) COL-00734 > (COL-00734) x > (COL-00734) x > (COL-00734) N-(3-aminobenzyl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide > (COL-00734) 1g > (COL-00734) 5g > (COL-00734) 10g > (COL-00734) POA > (COL-00734) POA > (COL-00734) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 11 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 17 1 0 0 0 0 14 7 2 0 0 0 0 15 18 2 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 3 4 2 0 0 0 0 15 9 1 0 0 0 0 M END > (COL-00735) COL-00735 > (COL-00735) x > (COL-00735) x > (COL-00735) N-(2-aminoethyl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide > (COL-00735) MFCD11914496 > (COL-00735) 1g > (COL-00735) 5g > (COL-00735) 10g > (COL-00735) POA > (COL-00735) POA > (COL-00735) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 6 5 2 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00736) COL-00736 > (COL-00736) x > (COL-00736) benzofuran-2-carboxylic acid > (COL-00736) 496-41-3 > (COL-00736) MFCD00005848 > (COL-00736) 1g > (COL-00736) 5g > (COL-00736) 10g > (COL-00736) POA > (COL-00736) POA > (COL-00736) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 16 2 0 0 0 0 6 5 2 0 0 0 0 20 19 1 0 0 0 0 17 11 2 0 0 0 0 M END > (COL-00737) COL-00737 > (COL-00737) x > (COL-00737) x > (COL-00737) N-(3-aminobenzyl)benzofuran-2-carboxamide > (COL-00737) 1g > (COL-00737) 5g > (COL-00737) 10g > (COL-00737) POA > (COL-00737) POA > (COL-00737) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 13 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 10 2 0 0 0 0 6 5 2 0 0 0 0 14 15 1 0 0 0 0 M END > (COL-00738) COL-00738 > (COL-00738) x > (COL-00738) x > (COL-00738) N-(2-aminoethyl)benzofuran-2-carboxamide > (COL-00738) MFCD09943864 > (COL-00738) 1g > (COL-00738) 5g > (COL-00738) 10g > (COL-00738) POA > (COL-00738) POA > (COL-00738) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 6 5 2 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00739) COL-00739 > (COL-00739) x > (COL-00739) benzo[b]thiophene-2-carboxylic acid > (COL-00739) 6314-28-9 > (COL-00739) MFCD00051636 > (COL-00739) 1g > (COL-00739) 5g > (COL-00739) 10g > (COL-00739) POA > (COL-00739) POA > (COL-00739) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 16 2 0 0 0 0 6 5 2 0 0 0 0 20 19 1 0 0 0 0 17 11 2 0 0 0 0 M END > (COL-00740) COL-00740 > (COL-00740) x > (COL-00740) x > (COL-00740) N-(3-aminobenzyl)benzo[b]thiophene-2-carboxamide > (COL-00740) 1g > (COL-00740) 5g > (COL-00740) 10g > (COL-00740) POA > (COL-00740) POA > (COL-00740) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 13 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 10 2 0 0 0 0 6 5 2 0 0 0 0 14 15 1 0 0 0 0 M END > (COL-00741) COL-00741 > (COL-00741) x > (COL-00741) x > (COL-00741) N-(2-aminoethyl)benzo[b]thiophene-2-carboxamide > (COL-00741) MFCD08694624 > (COL-00741) 1g > (COL-00741) 5g > (COL-00741) 10g > (COL-00741) POA > (COL-00741) POA > (COL-00741) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 6 5 1 0 0 0 0 12 10 2 0 0 0 0 M END > (COL-00742) COL-00742 > (COL-00742) x > (COL-00742) benzofuran-3-carboxylic acid > (COL-00742) 26537-68-8 > (COL-00742) MFCD01006722 > (COL-00742) 1g > (COL-00742) 5g > (COL-00742) 10g > (COL-00742) POA > (COL-00742) POA > (COL-00742) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 18 2 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 7 5 1 0 0 0 0 20 16 2 0 0 0 0 17 11 2 0 0 0 0 M END > (COL-00743) COL-00743 > (COL-00743) x > (COL-00743) x > (COL-00743) N-(3-aminobenzyl)benzofuran-3-carboxamide > (COL-00743) 1g > (COL-00743) 5g > (COL-00743) 10g > (COL-00743) POA > (COL-00743) POA > (COL-00743) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 6 5 1 0 0 0 0 15 11 2 0 0 0 0 M END > (COL-00744) COL-00744 > (COL-00744) x > (COL-00744) x > (COL-00744) N-(2-aminoethyl)benzofuran-3-carboxamide > (COL-00744) 1g > (COL-00744) 5g > (COL-00744) 10g > (COL-00744) POA > (COL-00744) POA > (COL-00744) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 6 4 1 0 0 0 0 12 10 2 0 0 0 0 M END > (COL-00745) COL-00745 > (COL-00745) x > (COL-00745) benzo[b]thiophene-3-carboxylic acid > (COL-00745) 5381-25-9 > (COL-00745) MFCD01846406 > (COL-00745) 1g > (COL-00745) 5g > (COL-00745) 10g > (COL-00745) POA > (COL-00745) POA > (COL-00745) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 19 1 0 0 0 0 6 5 1 0 0 0 0 20 16 2 0 0 0 0 17 11 2 0 0 0 0 M END > (COL-00746) COL-00746 > (COL-00746) x > (COL-00746) x > (COL-00746) N-(3-aminobenzyl)benzo[b]thiophene-3-carboxamide > (COL-00746) 1g > (COL-00746) 5g > (COL-00746) 10g > (COL-00746) POA > (COL-00746) POA > (COL-00746) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 6 4 1 0 0 0 0 15 11 2 0 0 0 0 M END > (COL-00747) COL-00747 > (COL-00747) x > (COL-00747) x > (COL-00747) N-(2-aminoethyl)benzo[b]thiophene-3-carboxamide > (COL-00747) MFCD16154686 > (COL-00747) 1g > (COL-00747) 5g > (COL-00747) 10g > (COL-00747) POA > (COL-00747) POA > (COL-00747) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 5 3 2 0 0 0 0 7 10 2 0 0 0 0 M END > (COL-00748) COL-00748 > (COL-00748) x > (COL-00748) imidazo[1,2-a]pyrazine-3-carboxylic acid > (COL-00748) 1g > (COL-00748) 5g > (COL-00748) 10g > (COL-00748) POA > (COL-00748) POA > (COL-00748) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 20 2 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 5 3 2 0 0 0 0 7 11 2 0 0 0 0 19 15 2 0 0 0 0 M END > (COL-00749) COL-00749 > (COL-00749) x > (COL-00749) x > (COL-00749) N-(3-aminobenzyl)imidazo[1,2-a]pyrazine-3-carboxamide > (COL-00749) 1g > (COL-00749) 5g > (COL-00749) 10g > (COL-00749) POA > (COL-00749) POA > (COL-00749) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 5 3 2 0 0 0 0 7 10 2 0 0 0 0 M END > (COL-00750) COL-00750 > (COL-00750) x > (COL-00750) x > (COL-00750) N-(2-aminoethyl)imidazo[1,2-a]pyrazine-3-carboxamide > (COL-00750) 1g > (COL-00750) 5g > (COL-00750) 10g > (COL-00750) POA > (COL-00750) POA > (COL-00750) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 5 3 2 0 0 0 0 11 8 2 0 0 0 0 M END > (COL-00751) COL-00751 > (COL-00751) x > (COL-00751) 2-methylimidazo[1,2-a]pyridine-3-carboxylic acid > (COL-00751) 21801-79-6 > (COL-00751) MFCD00244615 > (COL-00751) 1g > (COL-00751) 5g > (COL-00751) 10g > (COL-00751) POA > (COL-00751) POA > (COL-00751) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 21 2 0 0 0 0 20 19 1 0 0 0 0 21 17 1 0 0 0 0 5 3 2 0 0 0 0 12 9 2 0 0 0 0 20 16 2 0 0 0 0 M END > (COL-00752) COL-00752 > (COL-00752) x > (COL-00752) x > (COL-00752) N-(3-aminobenzyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide > (COL-00752) 1g > (COL-00752) 5g > (COL-00752) 10g > (COL-00752) POA > (COL-00752) POA > (COL-00752) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 16 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 5 3 2 0 0 0 0 11 8 2 0 0 0 0 M END > (COL-00753) COL-00753 > (COL-00753) x > (COL-00753) x > (COL-00753) N-(2-aminoethyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide > (COL-00753) MFCD11914590 > (COL-00753) 1g > (COL-00753) 5g > (COL-00753) 10g > (COL-00753) POA > (COL-00753) POA > (COL-00753) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0417 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 3 4 2 0 0 0 0 10 7 2 0 0 0 0 M END > (COL-00754) COL-00754 > (COL-00754) x > (COL-00754) 2,7-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid > (COL-00754) 81438-53-1 > (COL-00754) MFCD00139513 > (COL-00754) 1g > (COL-00754) 5g > (COL-00754) 10g > (COL-00754) POA > (COL-00754) POA > (COL-00754) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 18 16 1 0 0 0 0 19 22 2 0 0 0 0 20 10 1 0 0 0 0 21 19 1 0 0 0 0 22 17 1 0 0 0 0 3 4 2 0 0 0 0 10 8 2 0 0 0 0 21 16 2 0 0 0 0 M END > (COL-00755) COL-00755 > (COL-00755) x > (COL-00755) x > (COL-00755) N-(3-aminobenzyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide > (COL-00755) 1g > (COL-00755) 5g > (COL-00755) 10g > (COL-00755) POA > (COL-00755) POA > (COL-00755) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 17 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 3 4 2 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00756) COL-00756 > (COL-00756) x > (COL-00756) x > (COL-00756) N-(2-aminoethyl)-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide > (COL-00756) MFCD11914584 > (COL-00756) 1g > (COL-00756) 5g > (COL-00756) 10g > (COL-00756) POA > (COL-00756) POA > (COL-00756) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.2417 -11.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7000 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0417 -12.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1917 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2792 -12.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2125 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1917 -9.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8792 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7542 -10.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1125 -11.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6042 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7042 -8.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5375 -12.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1917 -13.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0417 -14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8792 -13.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2167 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8667 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 16 2 0 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 11 8 1 0 0 0 0 15 14 1 0 0 0 0 M END > (COL-00757) COL-00757 > (COL-00757) x > (COL-00757) 1-(tert-butoxycarbonyl)indoline-7-carboxylic acid > (COL-00757) 143262-20-8 > (COL-00757) MFCD04973983 > (COL-00757) 1g > (COL-00757) 5g > (COL-00757) 10g > (COL-00757) POA > (COL-00757) POA > (COL-00757) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 20.6042 -11.2417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2375 -10.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2375 -12.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3250 -12.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4792 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5750 -11.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8375 -9.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6375 -12.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9792 -12.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2750 -10.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4792 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8125 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -8.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.7917 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1542 -13.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1042 -11.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2625 -12.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 -12.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4167 -11.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 -14.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1042 -13.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8167 -13.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6000 -8.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4417 -8.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2625 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 -13.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 4 2 0 0 0 0 16 18 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 20 22 2 0 0 0 0 21 27 2 0 0 0 0 22 9 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 21 1 0 0 0 0 27 18 1 0 0 0 0 12 9 1 0 0 0 0 20 15 1 0 0 0 0 26 17 2 0 0 0 0 M END > (COL-00758) COL-00758 > (COL-00758) x > (COL-00758) x > (COL-00758) tert-butyl 7-((3-aminobenzyl)carbamoyl)indoline-1-carboxylate > (COL-00758) 1g > (COL-00758) 5g > (COL-00758) 10g > (COL-00758) POA > (COL-00758) POA > (COL-00758) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 20.4167 -11.1750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.8750 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2167 -12.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3667 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4542 -12.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3875 -11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3667 -9.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0542 -12.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9292 -10.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2875 -11.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7792 -11.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8792 -8.6417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.7042 -12.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3667 -13.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1375 -12.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2167 -14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0542 -13.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7292 -8.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3917 -7.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0417 -9.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7917 -12.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0500 -13.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 4 2 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 17 8 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 21 1 0 0 0 0 11 8 1 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00759) COL-00759 > (COL-00759) x > (COL-00759) x > (COL-00759) tert-butyl 7-((2-aminoethyl)carbamoyl)indoline-1-carboxylate > (COL-00759) 1g > (COL-00759) 5g > (COL-00759) 10g > (COL-00759) POA > (COL-00759) POA > (COL-00759) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6167 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2250 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2542 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 12 2 0 0 0 0 12 5 1 0 0 0 0 6 4 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00760) COL-00760 > (COL-00760) x > (COL-00760) benzo[b]thiophene-4-carboxylic acid > (COL-00760) 10134-95-9 > (COL-00760) MFCD01929340 > (COL-00760) 1g > (COL-00760) 5g > (COL-00760) 10g > (COL-00760) POA > (COL-00760) POA > (COL-00760) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 2 2 0 0 0 0 16 18 2 0 0 0 0 17 20 2 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 13 1 0 0 0 0 7 4 1 0 0 0 0 16 15 1 0 0 0 0 19 12 2 0 0 0 0 M END > (COL-00761) COL-00761 > (COL-00761) x > (COL-00761) x > (COL-00761) N-(3-aminobenzyl)benzo[b]thiophene-4-carboxamide > (COL-00761) 1g > (COL-00761) 5g > (COL-00761) 10g > (COL-00761) POA > (COL-00761) POA > (COL-00761) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 15 1 0 0 0 0 11 2 2 0 0 0 0 12 13 2 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 6 4 1 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00762) COL-00762 > (COL-00762) x > (COL-00762) x > (COL-00762) N-(2-aminoethyl)benzo[b]thiophene-4-carboxamide > (COL-00762) 1g > (COL-00762) 5g > (COL-00762) 10g > (COL-00762) POA > (COL-00762) POA > (COL-00762) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 21.2250 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2542 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6167 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7125 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6792 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1667 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1667 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1167 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 8 1 0 0 0 0 17 16 2 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 3 8 2 0 0 0 0 17 15 1 0 0 0 0 M END > (COL-00763) COL-00763 > (COL-00763) x > (COL-00763) x > (COL-00763) 2-((tert-butoxycarbonyl)amino)benzo[d]thiazole-4-carboxylic acid > (COL-00763) 1g > (COL-00763) 5g > (COL-00763) 10g > (COL-00763) POA > (COL-00763) POA > (COL-00763) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 4 2 0 0 0 0 17 19 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 9 1 0 0 0 0 22 21 2 0 0 0 0 23 28 2 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 23 1 0 0 0 0 28 19 1 0 0 0 0 3 9 2 0 0 0 0 22 16 1 0 0 0 0 27 18 2 0 0 0 0 M END > (COL-00764) COL-00764 > (COL-00764) x > (COL-00764) x > (COL-00764) tert-butyl (4-((3-aminobenzyl)carbamoyl)benzo[d]thiazol-2-yl)carbamate > (COL-00764) 1g > (COL-00764) 5g > (COL-00764) 10g > (COL-00764) POA > (COL-00764) POA > (COL-00764) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 23 1 0 0 0 0 17 8 1 0 0 0 0 18 17 2 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 3 8 2 0 0 0 0 18 15 1 0 0 0 0 M END > (COL-00765) COL-00765 > (COL-00765) x > (COL-00765) x > (COL-00765) tert-butyl (4-((2-aminoethyl)carbamoyl)benzo[d]thiazol-2-yl)carbamate > (COL-00765) 1g > (COL-00765) 5g > (COL-00765) 10g > (COL-00765) POA > (COL-00765) POA > (COL-00765) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.8250 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8250 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1250 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3667 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 5 4 2 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00766) COL-00766 > (COL-00766) x > (COL-00766) 2,3-dimethylimidazo[1,2-a]pyridine-7-carboxylic acid > (COL-00766) 1g > (COL-00766) 5g > (COL-00766) 10g > (COL-00766) POA > (COL-00766) POA > (COL-00766) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 11 1 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 22 2 0 0 0 0 21 20 1 0 0 0 0 22 16 1 0 0 0 0 5 4 2 0 0 0 0 8 10 2 0 0 0 0 21 15 2 0 0 0 0 M END > (COL-00767) COL-00767 > (COL-00767) x > (COL-00767) x > (COL-00767) N-(3-aminobenzyl)-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide > (COL-00767) 1g > (COL-00767) 5g > (COL-00767) 10g > (COL-00767) POA > (COL-00767) POA > (COL-00767) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 17 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 5 4 2 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00768) COL-00768 > (COL-00768) x > (COL-00768) x > (COL-00768) N-(2-aminoethyl)-2,3-dimethylimidazo[1,2-a]pyridine-7-carboxamide > (COL-00768) 1g > (COL-00768) 5g > (COL-00768) 10g > (COL-00768) POA > (COL-00768) POA > (COL-00768) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 11 6 2 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-00769) COL-00769 > (COL-00769) x > (COL-00769) quinoline-8-carboxylic acid > (COL-00769) 86-59-9 > (COL-00769) MFCD00047619 > (COL-00769) 1g > (COL-00769) 5g > (COL-00769) 10g > (COL-00769) POA > (COL-00769) POA > (COL-00769) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 19 2 0 0 0 0 16 5 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 20 7 1 0 0 0 0 21 20 2 0 0 0 0 17 7 2 0 0 0 0 21 16 1 0 0 0 0 18 11 2 0 0 0 0 M END > (COL-00770) COL-00770 > (COL-00770) x > (COL-00770) x > (COL-00770) N-(3-aminobenzyl)quinoline-8-carboxamide > (COL-00770) 1g > (COL-00770) 5g > (COL-00770) 10g > (COL-00770) POA > (COL-00770) POA > (COL-00770) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 14 1 0 0 0 0 10 8 2 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 12 7 2 0 0 0 0 16 11 1 0 0 0 0 M END > (COL-00771) COL-00771 > (COL-00771) x > (COL-00771) x > (COL-00771) N-(2-aminoethyl)quinoline-8-carboxamide > (COL-00771) 1g > (COL-00771) 5g > (COL-00771) 10g > (COL-00771) POA > (COL-00771) POA > (COL-00771) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 10 12 2 0 0 0 0 14 6 2 0 0 0 0 M END > (COL-00772) COL-00772 > (COL-00772) x > (COL-00772) x > (COL-00772) 8-bromoquinoline-4-carboxylic acid > (COL-00772) 121490-67-3 > (COL-00772) MFCD08690745 > (COL-00772) 1g > (COL-00772) 5g > (COL-00772) 10g > (COL-00772) POA > (COL-00772) POA > (COL-00772) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 14 2 0 0 0 0 12 11 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 1 1 0 0 0 0 17 2 1 0 0 0 0 18 16 2 0 0 0 0 19 22 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 14 1 0 0 0 0 13 17 2 0 0 0 0 20 7 2 0 0 0 0 21 12 2 0 0 0 0 M END > (COL-00773) COL-00773 > (COL-00773) x > (COL-00773) x > (COL-00773) x > (COL-00773) N-(3-aminobenzyl)-8-bromoquinoline-4-carboxamide > (COL-00773) 1g > (COL-00773) 5g > (COL-00773) 10g > (COL-00773) POA > (COL-00773) POA > (COL-00773) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 17 1 0 0 0 0 13 2 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 16 8 1 0 0 0 0 17 16 1 0 0 0 0 10 13 2 0 0 0 0 15 6 2 0 0 0 0 M END > (COL-00774) COL-00774 > (COL-00774) x > (COL-00774) x > (COL-00774) x > (COL-00774) N-(2-aminoethyl)-8-bromoquinoline-4-carboxamide > (COL-00774) 1g > (COL-00774) 5g > (COL-00774) 10g > (COL-00774) POA > (COL-00774) POA > (COL-00774) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 9 7 2 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00775) COL-00775 > (COL-00775) x > (COL-00775) 1,8-naphthyridine-2-carboxylic acid > (COL-00775) 215523-34-5 > (COL-00775) MFCD00202900 > (COL-00775) 1g > (COL-00775) 5g > (COL-00775) 10g > (COL-00775) POA > (COL-00775) POA > (COL-00775) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 9 1 0 0 0 0 11 5 1 0 0 0 0 12 14 2 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 19 2 0 0 0 0 17 6 2 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 20 8 1 0 0 0 0 21 20 2 0 0 0 0 10 8 2 0 0 0 0 21 17 1 0 0 0 0 18 13 2 0 0 0 0 M END > (COL-00776) COL-00776 > (COL-00776) x > (COL-00776) x > (COL-00776) N-(3-aminobenzyl)-1,8-naphthyridine-2-carboxamide > (COL-00776) 1g > (COL-00776) 5g > (COL-00776) 10g > (COL-00776) POA > (COL-00776) POA > (COL-00776) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 7 1 0 0 0 0 16 15 2 0 0 0 0 9 7 2 0 0 0 0 16 12 1 0 0 0 0 M END > (COL-00777) COL-00777 > (COL-00777) x > (COL-00777) x > (COL-00777) N-(2-aminoethyl)-1,8-naphthyridine-2-carboxamide > (COL-00777) 1g > (COL-00777) 5g > (COL-00777) 10g > (COL-00777) POA > (COL-00777) POA > (COL-00777) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 20.0542 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8542 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8792 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 13 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 1 1 0 0 0 0 15 6 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 8 17 1 0 0 0 0 5 11 2 0 0 0 0 M END > (COL-00778) COL-00778 > (COL-00778) x > (COL-00778) 8-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,8-naphthyridine-2-carboxylic acid > (COL-00778) 1g > (COL-00778) 5g > (COL-00778) 10g > (COL-00778) POA > (COL-00778) POA > (COL-00778) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 11 6 2 0 0 0 0 12 14 1 0 0 0 0 13 7 1 0 0 0 0 14 9 2 0 0 0 0 15 1 1 0 0 0 0 16 8 1 0 0 0 0 17 19 2 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 15 1 0 0 0 0 22 28 2 0 0 0 0 23 21 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 26 13 1 0 0 0 0 27 22 1 0 0 0 0 28 19 1 0 0 0 0 9 23 1 0 0 0 0 5 12 2 0 0 0 0 27 18 2 0 0 0 0 M END > (COL-00779) COL-00779 > (COL-00779) x > (COL-00779) x > (COL-00779) tert-butyl 7-((3-aminobenzyl)carbamoyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00779) 1g > (COL-00779) 5g > (COL-00779) 10g > (COL-00779) POA > (COL-00779) POA > (COL-00779) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0292 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 11 13 1 0 0 0 0 12 7 1 0 0 0 0 13 8 2 0 0 0 0 14 1 1 0 0 0 0 15 6 1 0 0 0 0 16 23 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 8 18 1 0 0 0 0 5 11 2 0 0 0 0 M END > (COL-00780) COL-00780 > (COL-00780) x > (COL-00780) x > (COL-00780) tert-butyl 7-((2-aminoethyl)carbamoyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00780) 1g > (COL-00780) 5g > (COL-00780) 10g > (COL-00780) POA > (COL-00780) POA > (COL-00780) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 7 5 1 0 0 0 0 13 12 1 0 0 0 0 M END > (COL-00781) COL-00781 > (COL-00781) x > (COL-00781) quinoxaline-2-carboxylic acid > (COL-00781) 879-65-2 > (COL-00781) MFCD00012334 > (COL-00781) 1g > (COL-00781) 5g > (COL-00781) 10g > (COL-00781) POA > (COL-00781) POA > (COL-00781) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 18 2 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 13 1 0 0 0 0 19 8 1 0 0 0 0 20 16 2 0 0 0 0 21 19 2 0 0 0 0 8 6 1 0 0 0 0 21 20 1 0 0 0 0 17 12 2 0 0 0 0 M END > (COL-00782) COL-00782 > (COL-00782) x > (COL-00782) x > (COL-00782) N-(3-aminobenzyl)quinoxaline-2-carboxamide > (COL-00782) 1g > (COL-00782) 5g > (COL-00782) 10g > (COL-00782) POA > (COL-00782) POA > (COL-00782) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 13 2 0 0 0 0 7 5 1 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00783) COL-00783 > (COL-00783) x > (COL-00783) x > (COL-00783) N-(2-aminoethyl)quinoxaline-2-carboxamide > (COL-00783) 1g > (COL-00783) 5g > (COL-00783) 10g > (COL-00783) POA > (COL-00783) POA > (COL-00783) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2667 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 5 2 0 0 0 0 12 1 1 0 0 0 0 13 11 1 0 0 0 0 14 2 2 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 4 10 1 0 0 0 0 16 11 1 0 0 0 0 M END > (COL-00784) COL-00784 > (COL-00784) x > (COL-00784) x > (COL-00784) 3'-bromo-[1,1'-biphenyl]-4-carboxylic acid > (COL-00784) 5737-83-7 > (COL-00784) MFCD08701660 > (COL-00784) 1g > (COL-00784) 5g > (COL-00784) 10g > (COL-00784) POA > (COL-00784) POA > (COL-00784) POA $$$$ -ISIS- 02091117132D 24 26 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 13 1 0 0 0 0 19 3 2 0 0 0 0 20 19 1 0 0 0 0 21 24 2 0 0 0 0 22 20 2 0 0 0 0 23 21 1 0 0 0 0 24 16 1 0 0 0 0 5 11 2 0 0 0 0 23 15 2 0 0 0 0 22 13 1 0 0 0 0 M END > (COL-00785) COL-00785 > (COL-00785) x > (COL-00785) x > (COL-00785) x > (COL-00785) N-(3-aminobenzyl)-3'-bromo-[1,1'-biphenyl]-4-carboxamide > (COL-00785) 1g > (COL-00785) 5g > (COL-00785) 10g > (COL-00785) POA > (COL-00785) POA > (COL-00785) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 2 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 1 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 19 1 0 0 0 0 15 2 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 4 10 1 0 0 0 0 18 12 1 0 0 0 0 M END > (COL-00786) COL-00786 > (COL-00786) x > (COL-00786) x > (COL-00786) x > (COL-00786) N-(2-aminoethyl)-3'-bromo-[1,1'-biphenyl]-4-carboxamide > (COL-00786) 1g > (COL-00786) 5g > (COL-00786) 10g > (COL-00786) POA > (COL-00786) POA > (COL-00786) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 9 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 1 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 4 10 1 0 0 0 0 14 12 2 0 0 0 0 M END > (COL-00787) COL-00787 > (COL-00787) x > (COL-00787) 4-(pyridin-2-yl)benzoic acid > (COL-00787) 4385-62-0 > (COL-00787) MFCD01830093 > (COL-00787) 1g > (COL-00787) 5g > (COL-00787) 10g > (COL-00787) POA > (COL-00787) POA > (COL-00787) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 15 2 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 21 2 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 17 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 19 2 0 0 0 0 5 11 2 0 0 0 0 20 14 2 0 0 0 0 22 18 2 0 0 0 0 M END > (COL-00788) COL-00788 > (COL-00788) x > (COL-00788) x > (COL-00788) N-(3-aminobenzyl)-4-(pyridin-2-yl)benzamide > (COL-00788) 1g > (COL-00788) 5g > (COL-00788) 10g > (COL-00788) POA > (COL-00788) POA > (COL-00788) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 2 0 0 0 0 4 9 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 1 1 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 5 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 4 10 1 0 0 0 0 17 13 2 0 0 0 0 M END > (COL-00789) COL-00789 > (COL-00789) x > (COL-00789) x > (COL-00789) N-(2-aminoethyl)-4-(pyridin-2-yl)benzamide > (COL-00789) 1g > (COL-00789) 5g > (COL-00789) 10g > (COL-00789) POA > (COL-00789) POA > (COL-00789) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 5 14 2 0 0 0 0 6 15 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 4 12 1 0 0 0 0 8 5 1 0 0 0 0 M END > (COL-00790) COL-00790 > (COL-00790) x > (COL-00790) 4-(pyrimidin-5-yl)benzoic acid > (COL-00790) 216959-91-0 > (COL-00790) MFCD05864811 > (COL-00790) 1g > (COL-00790) 5g > (COL-00790) 10g > (COL-00790) POA > (COL-00790) POA > (COL-00790) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 12 1 0 0 0 0 6 19 1 0 0 0 0 7 20 2 0 0 0 0 8 1 2 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 11 2 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 17 2 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 4 2 0 0 0 0 20 4 1 0 0 0 0 21 23 2 0 0 0 0 22 21 1 0 0 0 0 23 17 1 0 0 0 0 5 13 2 0 0 0 0 22 16 2 0 0 0 0 9 6 2 0 0 0 0 M END > (COL-00791) COL-00791 > (COL-00791) x > (COL-00791) x > (COL-00791) N-(3-aminobenzyl)-4-(pyrimidin-5-yl)benzamide > (COL-00791) 1g > (COL-00791) 5g > (COL-00791) 10g > (COL-00791) POA > (COL-00791) POA > (COL-00791) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 5 14 2 0 0 0 0 6 15 1 0 0 0 0 7 1 2 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 1 1 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 16 18 1 0 0 0 0 17 13 1 0 0 0 0 18 17 1 0 0 0 0 4 12 1 0 0 0 0 8 5 1 0 0 0 0 M END > (COL-00792) COL-00792 > (COL-00792) x > (COL-00792) x > (COL-00792) N-(2-aminoethyl)-4-(pyrimidin-5-yl)benzamide > (COL-00792) 1g > (COL-00792) 5g > (COL-00792) 10g > (COL-00792) POA > (COL-00792) POA > (COL-00792) POA $$$$ -ISIS- 02091117132D 12 14 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7417 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7417 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.9000 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9000 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 10 4 1 0 0 0 0 9 3 1 0 0 0 0 8 3 1 0 0 0 0 M END > (COL-00793) COL-00793 > (COL-00793) x > (COL-00793) (1s,3s)-adamantan-1-ylmethanol > (COL-00793) 17471-43-1 > (COL-00793) MFCD00074751 > (COL-00793) 1g > (COL-00793) 5g > (COL-00793) 10g > (COL-00793) POA > (COL-00793) POA > (COL-00793) POA $$$$ -ISIS- 02091117132D 26 29 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 18 1 0 0 0 0 4 1 1 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 7 1 0 0 0 0 18 19 1 0 0 0 0 19 23 1 0 0 0 0 20 9 1 0 0 0 0 21 10 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 22 20 1 0 0 0 0 16 7 1 0 0 0 0 15 6 1 0 0 0 0 17 6 1 0 0 0 0 M END > (COL-00794) COL-00794 > (COL-00794) tert-butyl 4-(((1s,3s)-adamantan-1-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00794) 1g > (COL-00794) 5g > (COL-00794) 10g > (COL-00794) POA > (COL-00794) POA > (COL-00794) POA $$$$ -ISIS- 02091117132D 16 18 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -12.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0500 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -14.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 5 16 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 14 1 0 0 0 0 14 1 1 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 12 2 1 0 0 0 0 11 4 1 0 0 0 0 10 4 1 0 0 0 0 M END > (COL-00795) COL-00795 > (COL-00795) x > (COL-00795) 2-((1s,3s)-adamantan-1-ylmethoxy)acetic acid > (COL-00795) MFCD09035869 > (COL-00795) 1g > (COL-00795) 5g > (COL-00795) 10g > (COL-00795) POA > (COL-00795) POA > (COL-00795) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00796) COL-00796 > (COL-00796) x > (COL-00796) (1-methyl-1H-imidazol-5-yl)methanol > (COL-00796) 38993-84-9 > (COL-00796) MFCD02179522 > (COL-00796) 1g > (COL-00796) 5g > (COL-00796) 10g > (COL-00796) POA > (COL-00796) POA > (COL-00796) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 18 15 1 0 0 0 0 5 6 2 0 0 0 0 M END > (COL-00797) COL-00797 > (COL-00797) tert-butyl 4-(((1-methyl-1H-imidazol-5-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00797) 1g > (COL-00797) 5g > (COL-00797) 10g > (COL-00797) POA > (COL-00797) POA > (COL-00797) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 12 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00798) COL-00798 > (COL-00798) x > (COL-00798) 2-((1-methyl-1H-imidazol-5-yl)methoxy)acetic acid > (COL-00798) 1g > (COL-00798) 5g > (COL-00798) 10g > (COL-00798) POA > (COL-00798) POA > (COL-00798) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00799) COL-00799 > (COL-00799) x > (COL-00799) (4-methylthiazol-5-yl)methanol > (COL-00799) 1977-06-6 > (COL-00799) MFCD09032911 > (COL-00799) 1g > (COL-00799) 5g > (COL-00799) 10g > (COL-00799) POA > (COL-00799) POA > (COL-00799) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 5 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 17 15 1 0 0 0 0 4 7 2 0 0 0 0 M END > (COL-00800) COL-00800 > (COL-00800) tert-butyl 4-(((4-methylthiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00800) 1g > (COL-00800) 5g > (COL-00800) 10g > (COL-00800) POA > (COL-00800) POA > (COL-00800) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -11.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 2 5 2 0 0 0 0 M END > (COL-00801) COL-00801 > (COL-00801) x > (COL-00801) 2-((4-methylthiazol-5-yl)methoxy)acetic acid > (COL-00801) 1g > (COL-00801) 5g > (COL-00801) 10g > (COL-00801) POA > (COL-00801) POA > (COL-00801) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (COL-00802) COL-00802 > (COL-00802) x > (COL-00802) (2-methylthiazol-5-yl)methanol > (COL-00802) 56012-38-5 > (COL-00802) MFCD12912988 > (COL-00802) 1g > (COL-00802) 5g > (COL-00802) 10g > (COL-00802) POA > (COL-00802) POA > (COL-00802) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 4 1 0 0 0 0 6 16 1 0 0 0 0 7 6 2 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 19 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 5 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 17 15 1 0 0 0 0 3 5 2 0 0 0 0 M END > (COL-00803) COL-00803 > (COL-00803) tert-butyl 4-(((2-methylthiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00803) 1g > (COL-00803) 5g > (COL-00803) 10g > (COL-00803) POA > (COL-00803) POA > (COL-00803) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (COL-00804) COL-00804 > (COL-00804) x > (COL-00804) 2-((2-methylthiazol-5-yl)methoxy)acetic acid > (COL-00804) 1g > (COL-00804) 5g > (COL-00804) 10g > (COL-00804) POA > (COL-00804) POA > (COL-00804) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 20.1375 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00805) COL-00805 > (COL-00805) x > (COL-00805) (5-methyl-1,3,4-thiadiazol-2-yl)methanol > (COL-00805) 1g > (COL-00805) 5g > (COL-00805) 10g > (COL-00805) POA > (COL-00805) POA > (COL-00805) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 14 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 12 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 17 15 1 0 0 0 0 3 7 2 0 0 0 0 M END > (COL-00806) COL-00806 > (COL-00806) tert-butyl 4-(((5-methyl-1,3,4-thiadiazol-2-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00806) 1g > (COL-00806) 5g > (COL-00806) 10g > (COL-00806) POA > (COL-00806) POA > (COL-00806) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 5 3 1 0 0 0 0 M END > (COL-00807) COL-00807 > (COL-00807) x > (COL-00807) 2-((5-methyl-1,3,4-thiadiazol-2-yl)methoxy)acetic acid > (COL-00807) 1g > (COL-00807) 5g > (COL-00807) 10g > (COL-00807) POA > (COL-00807) POA > (COL-00807) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4125 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8417 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00808) COL-00808 > (COL-00808) x > (COL-00808) x > (COL-00808) tert-butyl (5-(hydroxymethyl)thiazol-2-yl)carbamate > (COL-00808) MFCD16877433 > (COL-00808) 1g > (COL-00808) 5g > (COL-00808) 10g > (COL-00808) POA > (COL-00808) POA > (COL-00808) POA $$$$ -ISIS- 02091117132D 32 34 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 14 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 22 1 0 0 0 0 29 22 2 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 31 2 0 0 0 0 8 9 2 0 0 0 0 6 15 1 0 0 0 0 30 32 1 0 0 0 0 M END > (COL-00809) COL-00809 > (COL-00809) x > (COL-00809) benzyl 4-(((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00809) 1g > (COL-00809) 5g > (COL-00809) 10g > (COL-00809) POA > (COL-00809) POA > (COL-00809) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 16 1 0 0 0 0 10 4 2 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00810) COL-00810 > (COL-00810) x > (COL-00810) x > (COL-00810) 2-((2-((tert-butoxycarbonyl)amino)thiazol-5-yl)methoxy)acetic acid > (COL-00810) 1g > (COL-00810) 5g > (COL-00810) 10g > (COL-00810) POA > (COL-00810) POA > (COL-00810) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4375 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.4125 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8417 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00811) COL-00811 > (COL-00811) x > (COL-00811) x > (COL-00811) tert-butyl (4-(hydroxymethyl)thiazol-2-yl)carbamate > (COL-00811) 494769-44-7 > (COL-00811) MFCD08275703 > (COL-00811) 1g > (COL-00811) 5g > (COL-00811) 10g > (COL-00811) POA > (COL-00811) POA > (COL-00811) POA $$$$ -ISIS- 02091117132D 32 34 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 14 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 8 1 0 0 0 0 22 17 1 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 28 22 1 0 0 0 0 29 22 2 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 31 2 0 0 0 0 8 9 2 0 0 0 0 6 15 1 0 0 0 0 30 32 1 0 0 0 0 M END > (COL-00812) COL-00812 > (COL-00812) x > (COL-00812) benzyl 4-(((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00812) 1g > (COL-00812) 5g > (COL-00812) 10g > (COL-00812) POA > (COL-00812) POA > (COL-00812) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5875 -14.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5625 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -13.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0500 -15.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -13.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -12.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 -13.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0250 -14.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 16 1 0 0 0 0 10 4 2 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 6 7 2 0 0 0 0 M END > (COL-00813) COL-00813 > (COL-00813) x > (COL-00813) x > (COL-00813) 2-((2-((tert-butoxycarbonyl)amino)thiazol-4-yl)methoxy)acetic acid > (COL-00813) 1g > (COL-00813) 5g > (COL-00813) 10g > (COL-00813) POA > (COL-00813) POA > (COL-00813) POA $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 3 2 0 0 0 0 10 2 1 0 0 0 0 8 10 2 0 0 0 0 M END > (COL-00814) COL-00814 > (COL-00814) x > (COL-00814) x > (COL-00814) (2,6-dibromophenyl)methanol > (COL-00814) MFCD13185492 > (COL-00814) 1g > (COL-00814) 5g > (COL-00814) 10g > (COL-00814) POA > (COL-00814) POA > (COL-00814) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 11 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 14 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 21 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 7 2 0 0 0 0 20 6 1 0 0 0 0 21 17 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 17 15 1 0 0 0 0 18 20 2 0 0 0 0 M END > (COL-00815) COL-00815 > (COL-00815) x > (COL-00815) tert-butyl 4-(((2,6-dibromobenzyl)oxy)methyl)piperidine-1-carboxylate > (COL-00815) 1g > (COL-00815) 5g > (COL-00815) 10g > (COL-00815) POA > (COL-00815) POA > (COL-00815) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 11 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 13 1 0 0 0 0 13 3 2 0 0 0 0 14 2 1 0 0 0 0 12 14 2 0 0 0 0 M END > (COL-00816) COL-00816 > (COL-00816) x > (COL-00816) x > (COL-00816) 2-((2,6-dibromobenzyl)oxy)acetic acid > (COL-00816) 1g > (COL-00816) 5g > (COL-00816) 10g > (COL-00816) POA > (COL-00816) POA > (COL-00816) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00817) COL-00817 > (COL-00817) x > (COL-00817) x > (COL-00817) x > (COL-00817) 2-chloro-6-(hydroxymethyl)benzonitrile > (COL-00817) 1g > (COL-00817) 5g > (COL-00817) 10g > (COL-00817) POA > (COL-00817) POA > (COL-00817) POA $$$$ -ISIS- 02091117132D 25 26 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 11 1 0 0 0 0 4 3 1 0 0 0 0 5 4 3 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 18 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 22 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 21 1 0 0 0 0 20 19 2 0 0 0 0 21 11 2 0 0 0 0 22 17 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 17 16 1 0 0 0 0 20 8 1 0 0 0 0 M END > (COL-00818) COL-00818 > (COL-00818) x > (COL-00818) x > (COL-00818) tert-butyl 4-(((3-chloro-2-cyanobenzyl)oxy)methyl)piperidine-1-carboxylate > (COL-00818) 1g > (COL-00818) 5g > (COL-00818) 10g > (COL-00818) POA > (COL-00818) POA > (COL-00818) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -10.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 3 0 0 0 0 4 11 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 5 1 0 0 0 0 15 6 2 0 0 0 0 14 13 2 0 0 0 0 M END > (COL-00819) COL-00819 > (COL-00819) x > (COL-00819) x > (COL-00819) x > (COL-00819) 2-((3-chloro-2-cyanobenzyl)oxy)acetic acid > (COL-00819) 1g > (COL-00819) 5g > (COL-00819) 10g > (COL-00819) POA > (COL-00819) POA > (COL-00819) POA $$$$ -ISIS- 02091117132D 11 11 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7375 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00820) COL-00820 > (COL-00820) x > (COL-00820) x > (COL-00820) x > (COL-00820) 2,4-dibromo-6-(hydroxymethyl)phenol > (COL-00820) 2183-54-2 > (COL-00820) MFCD00736409 > (COL-00820) 1g > (COL-00820) 5g > (COL-00820) 10g > (COL-00820) POA > (COL-00820) POA > (COL-00820) POA $$$$ -ISIS- 02091117132D 25 26 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 10 2 0 0 0 0 8 3 2 0 0 0 0 9 1 2 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 22 1 0 0 0 0 18 17 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 13 1 0 0 0 0 21 19 1 0 0 0 0 7 4 1 0 0 0 0 M END > (COL-00821) COL-00821 > (COL-00821) x > (COL-00821) x > (COL-00821) tert-butyl 4-(((3,5-dibromo-2-hydroxybenzyl)oxy)methyl)piperidine-1-carboxylate > (COL-00821) 1g > (COL-00821) 5g > (COL-00821) 10g > (COL-00821) POA > (COL-00821) POA > (COL-00821) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 7 1 0 0 0 0 15 11 1 0 0 0 0 4 2 1 0 0 0 0 M END > (COL-00822) COL-00822 > (COL-00822) x > (COL-00822) x > (COL-00822) x > (COL-00822) 2-((3,5-dibromo-2-hydroxybenzyl)oxy)acetic acid > (COL-00822) 1g > (COL-00822) 5g > (COL-00822) 10g > (COL-00822) POA > (COL-00822) POA > (COL-00822) POA $$$$ -ISIS- 02091117132D 10 10 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 7 1 0 0 0 0 2 8 2 0 0 0 0 M END > (COL-00823) COL-00823 > (COL-00823) x > (COL-00823) x > (COL-00823) (3,5-dibromopyridin-4-yl)methanol > (COL-00823) MFCD16606960 > (COL-00823) 1g > (COL-00823) 5g > (COL-00823) 10g > (COL-00823) POA > (COL-00823) POA > (COL-00823) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 12 1 0 0 0 0 4 1 1 0 0 0 0 5 18 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 15 1 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 21 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 7 1 0 0 0 0 19 6 2 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 20 16 1 0 0 0 0 5 19 1 0 0 0 0 M END > (COL-00824) COL-00824 > (COL-00824) x > (COL-00824) tert-butyl 4-(((3,5-dibromopyridin-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00824) 1g > (COL-00824) 5g > (COL-00824) 10g > (COL-00824) POA > (COL-00824) POA > (COL-00824) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.0167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 14 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 2 12 2 0 0 0 0 M END > (COL-00825) COL-00825 > (COL-00825) x > (COL-00825) x > (COL-00825) 2-((3,5-dibromopyridin-4-yl)methoxy)acetic acid > (COL-00825) 1g > (COL-00825) 5g > (COL-00825) 10g > (COL-00825) POA > (COL-00825) POA > (COL-00825) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6042 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 13 1 0 0 0 0 2 5 2 0 0 0 0 9 11 2 0 0 0 0 M END > (COL-00826) COL-00826 > (COL-00826) x > (COL-00826) x > (COL-00826) (5-(4-bromophenyl)isoxazol-3-yl)methanol > (COL-00826) 640291-96-9 > (COL-00826) MFCD06199340 > (COL-00826) 1g > (COL-00826) 5g > (COL-00826) 10g > (COL-00826) POA > (COL-00826) POA > (COL-00826) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 7 1 0 0 0 0 6 4 1 0 0 0 0 7 23 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 1 2 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 19 2 0 0 0 0 17 25 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 12 1 0 0 0 0 21 11 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 20 1 0 0 0 0 25 24 1 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 13 1 0 0 0 0 24 21 1 0 0 0 0 2 6 1 0 0 0 0 16 18 1 0 0 0 0 M END > (COL-00827) COL-00827 > (COL-00827) x > (COL-00827) tert-butyl 4-(((5-(4-bromophenyl)isoxazol-3-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00827) 1g > (COL-00827) 5g > (COL-00827) 10g > (COL-00827) POA > (COL-00827) POA > (COL-00827) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7542 -13.0417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 18 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 17 1 0 0 0 0 13 7 1 0 0 0 0 14 10 2 0 0 0 0 15 9 1 0 0 0 0 16 11 1 0 0 0 0 17 5 1 0 0 0 0 18 12 1 0 0 0 0 2 5 2 0 0 0 0 11 15 2 0 0 0 0 M END > (COL-00828) COL-00828 > (COL-00828) x > (COL-00828) x > (COL-00828) 2-((5-(4-bromophenyl)isoxazol-3-yl)methoxy)acetic acid > (COL-00828) 1g > (COL-00828) 5g > (COL-00828) 10g > (COL-00828) POA > (COL-00828) POA > (COL-00828) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.1375 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 3 5 1 0 0 0 0 7 10 2 0 0 0 0 M END > (COL-00829) COL-00829 > (COL-00829) x > (COL-00829) (2-(pyridin-4-yl)thiazol-4-yl)methanol > (COL-00829) MFCD11935282 > (COL-00829) 1g > (COL-00829) 5g > (COL-00829) 10g > (COL-00829) POA > (COL-00829) POA > (COL-00829) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 11 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 20 2 0 0 0 0 14 8 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 19 1 0 0 0 0 18 6 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 22 15 1 0 0 0 0 23 10 1 0 0 0 0 24 10 2 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 5 7 1 0 0 0 0 13 21 1 0 0 0 0 4 12 1 0 0 0 0 M END > (COL-00830) COL-00830 > (COL-00830) tert-butyl 4-(((2-(pyridin-4-yl)thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00830) 1g > (COL-00830) 5g > (COL-00830) 10g > (COL-00830) POA > (COL-00830) POA > (COL-00830) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 13 1 0 0 0 0 7 2 1 0 0 0 0 8 15 1 0 0 0 0 9 6 2 0 0 0 0 10 12 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 7 2 0 0 0 0 17 7 1 0 0 0 0 3 5 1 0 0 0 0 8 14 2 0 0 0 0 M END > (COL-00831) COL-00831 > (COL-00831) x > (COL-00831) 2-((2-(pyridin-4-yl)thiazol-4-yl)methoxy)acetic acid > (COL-00831) 1g > (COL-00831) 5g > (COL-00831) 10g > (COL-00831) POA > (COL-00831) POA > (COL-00831) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1667 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1417 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 9 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 5 4 2 0 0 0 0 13 7 1 0 0 0 0 M END > (COL-00832) COL-00832 > (COL-00832) x > (COL-00832) (4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methanol > (COL-00832) MFCD11936050 > (COL-00832) 1g > (COL-00832) 5g > (COL-00832) 10g > (COL-00832) POA > (COL-00832) POA > (COL-00832) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 13 16 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 15 1 0 0 0 0 18 21 1 0 0 0 0 19 21 1 0 0 0 0 20 6 1 0 0 0 0 21 24 1 0 0 0 0 22 8 2 0 0 0 0 23 28 2 0 0 0 0 24 17 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 27 14 1 0 0 0 0 28 22 1 0 0 0 0 6 5 2 0 0 0 0 23 13 1 0 0 0 0 7 11 1 0 0 0 0 M END > (COL-00833) COL-00833 > (COL-00833) tert-butyl 4-(((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00833) 1g > (COL-00833) 5g > (COL-00833) 10g > (COL-00833) POA > (COL-00833) POA > (COL-00833) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -12.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -12.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3167 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7792 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2917 -13.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 11 2 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 6 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 5 4 2 0 0 0 0 17 8 1 0 0 0 0 M END > (COL-00834) COL-00834 > (COL-00834) x > (COL-00834) 2-((4-methyl-2-(pyridin-3-yl)thiazol-5-yl)methoxy)acetic acid > (COL-00834) 1g > (COL-00834) 5g > (COL-00834) 10g > (COL-00834) POA > (COL-00834) POA > (COL-00834) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 8 2 0 0 0 0 3 5 1 0 0 0 0 9 10 2 0 0 0 0 M END > (COL-00835) COL-00835 > (COL-00835) x > (COL-00835) benzofuran-2-ylmethanol > (COL-00835) 55038-01-2 > (COL-00835) MFCD00673995 > (COL-00835) 1g > (COL-00835) 5g > (COL-00835) 10g > (COL-00835) POA > (COL-00835) POA > (COL-00835) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 20 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 17 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 2 0 0 0 0 25 18 2 0 0 0 0 17 15 1 0 0 0 0 8 7 2 0 0 0 0 24 25 1 0 0 0 0 M END > (COL-00836) COL-00836 > (COL-00836) tert-butyl 4-((benzofuran-2-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00836) 1g > (COL-00836) 5g > (COL-00836) 10g > (COL-00836) POA > (COL-00836) POA > (COL-00836) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 12 2 0 0 0 0 3 5 1 0 0 0 0 13 14 2 0 0 0 0 M END > (COL-00837) COL-00837 > (COL-00837) x > (COL-00837) 2-(benzofuran-2-ylmethoxy)acetic acid > (COL-00837) 1g > (COL-00837) 5g > (COL-00837) 10g > (COL-00837) POA > (COL-00837) POA > (COL-00837) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 8 2 0 0 0 0 3 5 1 0 0 0 0 9 10 2 0 0 0 0 M END > (COL-00838) COL-00838 > (COL-00838) x > (COL-00838) benzo[b]thiophen-2-ylmethanol > (COL-00838) 17890-56-1 > (COL-00838) MFCD02682004 > (COL-00838) 1g > (COL-00838) 5g > (COL-00838) 10g > (COL-00838) POA > (COL-00838) POA > (COL-00838) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 16 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 20 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 17 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 2 0 0 0 0 25 18 2 0 0 0 0 17 15 1 0 0 0 0 8 6 2 0 0 0 0 24 25 1 0 0 0 0 M END > (COL-00839) COL-00839 > (COL-00839) tert-butyl 4-((benzo[b]thiophen-2-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00839) 1g > (COL-00839) 5g > (COL-00839) 10g > (COL-00839) POA > (COL-00839) POA > (COL-00839) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -14.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -13.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -14.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -14.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 12 2 0 0 0 0 3 5 1 0 0 0 0 13 14 2 0 0 0 0 M END > (COL-00840) COL-00840 > (COL-00840) x > (COL-00840) 2-(benzo[b]thiophen-2-ylmethoxy)acetic acid > (COL-00840) 1g > (COL-00840) 5g > (COL-00840) 10g > (COL-00840) POA > (COL-00840) POA > (COL-00840) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 3 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00841) COL-00841 > (COL-00841) x > (COL-00841) benzofuran-3-ylmethanol > (COL-00841) 4687-23-4 > (COL-00841) MFCD05148738 > (COL-00841) 1g > (COL-00841) 5g > (COL-00841) 10g > (COL-00841) POA > (COL-00841) POA > (COL-00841) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 6 2 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 8 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 17 15 1 0 0 0 0 8 5 1 0 0 0 0 25 20 2 0 0 0 0 M END > (COL-00842) COL-00842 > (COL-00842) tert-butyl 4-((benzofuran-3-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00842) 1g > (COL-00842) 5g > (COL-00842) 10g > (COL-00842) POA > (COL-00842) POA > (COL-00842) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 5 3 1 0 0 0 0 15 13 2 0 0 0 0 M END > (COL-00843) COL-00843 > (COL-00843) x > (COL-00843) 2-(benzofuran-3-ylmethoxy)acetic acid > (COL-00843) 1g > (COL-00843) 5g > (COL-00843) 10g > (COL-00843) POA > (COL-00843) POA > (COL-00843) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 5 2 1 0 0 0 0 11 9 2 0 0 0 0 M END > (COL-00844) COL-00844 > (COL-00844) x > (COL-00844) benzo[b]thiophen-3-ylmethanol > (COL-00844) 5381-24-8 > (COL-00844) MFCD02682007 > (COL-00844) 1g > (COL-00844) 5g > (COL-00844) 10g > (COL-00844) POA > (COL-00844) POA > (COL-00844) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 6 2 0 0 0 0 9 1 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 19 1 0 0 0 0 14 13 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 6 1 0 0 0 0 19 17 1 0 0 0 0 20 8 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 18 2 0 0 0 0 25 24 1 0 0 0 0 17 15 1 0 0 0 0 8 4 1 0 0 0 0 25 20 2 0 0 0 0 M END > (COL-00845) COL-00845 > (COL-00845) tert-butyl 4-((benzo[b]thiophen-3-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00845) 1g > (COL-00845) 5g > (COL-00845) 10g > (COL-00845) POA > (COL-00845) POA > (COL-00845) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 11 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 5 2 1 0 0 0 0 15 13 2 0 0 0 0 M END > (COL-00846) COL-00846 > (COL-00846) x > (COL-00846) 2-(benzo[b]thiophen-3-ylmethoxy)acetic acid > (COL-00846) 1g > (COL-00846) 5g > (COL-00846) 10g > (COL-00846) POA > (COL-00846) POA > (COL-00846) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 2 5 1 0 0 0 0 6 9 2 0 0 0 0 M END > (COL-00847) COL-00847 > (COL-00847) x > (COL-00847) imidazo[1,2-a]pyrazin-3-ylmethanol > (COL-00847) 1g > (COL-00847) 5g > (COL-00847) 10g > (COL-00847) POA > (COL-00847) POA > (COL-00847) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 15 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 12 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 2 2 0 0 0 0 12 10 2 0 0 0 0 13 4 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 9 1 0 0 0 0 17 6 1 0 0 0 0 18 17 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 23 16 1 0 0 0 0 24 16 1 0 0 0 0 25 16 1 0 0 0 0 3 7 1 0 0 0 0 8 13 2 0 0 0 0 5 14 1 0 0 0 0 M END > (COL-00848) COL-00848 > (COL-00848) tert-butyl 4-((imidazo[1,2-a]pyrazin-3-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00848) 1g > (COL-00848) 5g > (COL-00848) 10g > (COL-00848) POA > (COL-00848) POA > (COL-00848) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 15 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 13 1 0 0 0 0 13 4 1 0 0 0 0 14 8 1 0 0 0 0 15 12 1 0 0 0 0 2 5 1 0 0 0 0 6 10 2 0 0 0 0 M END > (COL-00849) COL-00849 > (COL-00849) x > (COL-00849) 2-(imidazo[1,2-a]pyrazin-3-ylmethoxy)acetic acid > (COL-00849) 1g > (COL-00849) 5g > (COL-00849) 10g > (COL-00849) POA > (COL-00849) POA > (COL-00849) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 2 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00850) COL-00850 > (COL-00850) x > (COL-00850) (2-methylimidazo[1,2-a]pyridin-3-yl)methanol > (COL-00850) 30489-44-2 > (COL-00850) MFCD07368506 > (COL-00850) 1g > (COL-00850) 5g > (COL-00850) 10g > (COL-00850) POA > (COL-00850) POA > (COL-00850) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 14 8 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 4 1 0 0 0 0 18 17 1 0 0 0 0 19 5 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 18 1 0 0 0 0 24 14 1 0 0 0 0 25 14 1 0 0 0 0 26 14 1 0 0 0 0 2 5 1 0 0 0 0 16 10 2 0 0 0 0 7 12 1 0 0 0 0 M END > (COL-00851) COL-00851 > (COL-00851) tert-butyl 4-(((2-methylimidazo[1,2-a]pyridin-3-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00851) 1g > (COL-00851) 5g > (COL-00851) 10g > (COL-00851) POA > (COL-00851) POA > (COL-00851) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 16 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 2 5 1 0 0 0 0 10 7 2 0 0 0 0 M END > (COL-00852) COL-00852 > (COL-00852) x > (COL-00852) 2-((2-methylimidazo[1,2-a]pyridin-3-yl)methoxy)acetic acid > (COL-00852) 1g > (COL-00852) 5g > (COL-00852) 10g > (COL-00852) POA > (COL-00852) POA > (COL-00852) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.1375 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.7042 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1375 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5292 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6792 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5000 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0750 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4167 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0417 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00853) COL-00853 > (COL-00853) x > (COL-00853) (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methanol > (COL-00853) MFCD00269452 > (COL-00853) 1g > (COL-00853) 5g > (COL-00853) 10g > (COL-00853) POA > (COL-00853) POA > (COL-00853) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 15 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 13 6 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 18 17 1 0 0 0 0 19 5 1 0 0 0 0 20 22 1 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 23 12 1 0 0 0 0 24 18 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 3 5 1 0 0 0 0 12 9 2 0 0 0 0 8 14 1 0 0 0 0 M END > (COL-00854) COL-00854 > (COL-00854) tert-butyl 4-(((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00854) 1g > (COL-00854) 5g > (COL-00854) 10g > (COL-00854) POA > (COL-00854) POA > (COL-00854) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 20.2875 -12.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.8625 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -13.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6792 -11.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8292 -12.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6542 -11.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2250 -12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 -14.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1917 -11.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 16 1 0 0 0 0 11 10 2 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 9 1 0 0 0 0 3 5 1 0 0 0 0 9 7 2 0 0 0 0 M END > (COL-00855) COL-00855 > (COL-00855) x > (COL-00855) 2-((2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methoxy)acetic acid > (COL-00855) 1g > (COL-00855) 5g > (COL-00855) 10g > (COL-00855) POA > (COL-00855) POA > (COL-00855) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 20.2542 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.6042 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2250 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6500 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6167 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9625 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2750 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2750 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6500 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 11 1 0 0 0 0 13 6 2 0 0 0 0 14 15 2 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 9 8 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00856) COL-00856 > (COL-00856) x > (COL-00856) tert-butyl 7-(hydroxymethyl)indoline-1-carboxylate > (COL-00856) 1030846-88-8 > (COL-00856) MFCD13183508 > (COL-00856) 1g > (COL-00856) 5g > (COL-00856) 10g > (COL-00856) POA > (COL-00856) POA > (COL-00856) POA $$$$ -ISIS- 02091117132D 35 38 0 0 0 0 0 0 0 0999 V2000 20.4042 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7542 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -16.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -16.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -16.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -17.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -17.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -18.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 13 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 17 1 0 0 0 0 22 8 1 0 0 0 0 23 27 1 0 0 0 0 24 8 2 0 0 0 0 25 26 2 0 0 0 0 26 11 1 0 0 0 0 27 18 1 0 0 0 0 28 16 1 0 0 0 0 29 16 1 0 0 0 0 30 16 1 0 0 0 0 31 21 1 0 0 0 0 32 21 2 0 0 0 0 33 31 2 0 0 0 0 34 32 1 0 0 0 0 35 34 2 0 0 0 0 15 11 1 0 0 0 0 25 24 1 0 0 0 0 5 14 1 0 0 0 0 33 35 1 0 0 0 0 M END > (COL-00857) COL-00857 > (COL-00857) tert-butyl 7-(((1-((benzyloxy)carbonyl)piperidin-4-yl)methoxy)methyl)indoline-1-carboxylate > (COL-00857) 1g > (COL-00857) 5g > (COL-00857) 10g > (COL-00857) POA > (COL-00857) POA > (COL-00857) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 20.4042 -11.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.7542 -10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -10.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -9.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 -9.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8042 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -10.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4250 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 16 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 13 1 0 0 0 0 17 6 2 0 0 0 0 18 19 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 10 8 1 0 0 0 0 18 17 1 0 0 0 0 M END > (COL-00858) COL-00858 > (COL-00858) x > (COL-00858) 2-((1-(tert-butoxycarbonyl)indolin-7-yl)methoxy)acetic acid > (COL-00858) 1g > (COL-00858) 5g > (COL-00858) 10g > (COL-00858) POA > (COL-00858) POA > (COL-00858) POA $$$$ -ISIS- 02091117132D 11 12 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6167 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.2250 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2542 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 3 2 1 0 0 0 0 10 8 2 0 0 0 0 M END > (COL-00859) COL-00859 > (COL-00859) x > (COL-00859) benzo[b]thiophen-4-ylmethanol > (COL-00859) 1g > (COL-00859) 5g > (COL-00859) 10g > (COL-00859) POA > (COL-00859) POA > (COL-00859) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 6 9 2 0 0 0 0 7 4 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 18 1 0 0 0 0 14 22 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 21 1 0 0 0 0 20 19 2 0 0 0 0 21 13 2 0 0 0 0 22 17 1 0 0 0 0 23 12 1 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 17 16 1 0 0 0 0 20 7 1 0 0 0 0 6 5 1 0 0 0 0 M END > (COL-00860) COL-00860 > (COL-00860) tert-butyl 4-((benzo[b]thiophen-4-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00860) 1g > (COL-00860) 5g > (COL-00860) 10g > (COL-00860) POA > (COL-00860) POA > (COL-00860) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 12 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 15 1 0 0 0 0 14 4 1 0 0 0 0 15 7 2 0 0 0 0 3 2 1 0 0 0 0 14 13 2 0 0 0 0 M END > (COL-00861) COL-00861 > (COL-00861) x > (COL-00861) 2-(benzo[b]thiophen-4-ylmethoxy)acetic acid > (COL-00861) 1g > (COL-00861) 5g > (COL-00861) 10g > (COL-00861) POA > (COL-00861) POA > (COL-00861) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 21.2250 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2542 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.6167 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.7125 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6792 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1667 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1667 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1167 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1417 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 8 2 0 0 0 0 16 12 2 0 0 0 0 17 11 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 5 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00862) COL-00862 > (COL-00862) x > (COL-00862) x > (COL-00862) tert-butyl (4-(hydroxymethyl)benzo[d]thiazol-2-yl)carbamate > (COL-00862) 1g > (COL-00862) 5g > (COL-00862) 10g > (COL-00862) POA > (COL-00862) POA > (COL-00862) POA $$$$ -ISIS- 02091117132D 36 39 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -16.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -16.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -16.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -17.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -17.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -18.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 6 2 0 0 0 0 14 7 2 0 0 0 0 15 21 1 0 0 0 0 16 20 1 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 25 1 0 0 0 0 22 18 1 0 0 0 0 23 9 1 0 0 0 0 24 10 1 0 0 0 0 25 28 1 0 0 0 0 26 10 2 0 0 0 0 27 23 2 0 0 0 0 28 19 1 0 0 0 0 29 17 1 0 0 0 0 30 17 1 0 0 0 0 31 17 1 0 0 0 0 32 22 1 0 0 0 0 33 22 2 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 35 2 0 0 0 0 5 9 2 0 0 0 0 27 26 1 0 0 0 0 8 16 1 0 0 0 0 34 36 1 0 0 0 0 M END > (COL-00863) COL-00863 > (COL-00863) x > (COL-00863) benzyl 4-(((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00863) 1g > (COL-00863) 5g > (COL-00863) 10g > (COL-00863) POA > (COL-00863) POA > (COL-00863) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 21.3750 -11.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4042 -11.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7667 -11.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8625 -10.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8375 -10.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -9.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3250 -11.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -9.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -8.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2667 -9.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3000 -10.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 18 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 14 17 1 0 0 0 0 15 10 1 0 0 0 0 16 7 1 0 0 0 0 17 8 1 0 0 0 0 18 14 1 0 0 0 0 19 8 2 0 0 0 0 20 16 2 0 0 0 0 21 13 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 5 7 2 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-00864) COL-00864 > (COL-00864) x > (COL-00864) x > (COL-00864) 2-((2-((tert-butoxycarbonyl)amino)benzo[d]thiazol-4-yl)methoxy)acetic acid > (COL-00864) 1g > (COL-00864) 5g > (COL-00864) 10g > (COL-00864) POA > (COL-00864) POA > (COL-00864) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.8250 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8250 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3917 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1250 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3667 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00865) COL-00865 > (COL-00865) x > (COL-00865) (2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methanol > (COL-00865) MFCD14553045 > (COL-00865) 1g > (COL-00865) 5g > (COL-00865) 10g > (COL-00865) POA > (COL-00865) POA > (COL-00865) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 14 1 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 13 6 2 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 16 10 1 0 0 0 0 17 22 1 0 0 0 0 18 4 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 5 1 0 0 0 0 22 12 1 0 0 0 0 23 24 1 0 0 0 0 24 17 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 27 16 1 0 0 0 0 5 4 2 0 0 0 0 7 11 2 0 0 0 0 8 15 1 0 0 0 0 M END > (COL-00866) COL-00866 > (COL-00866) tert-butyl 4-(((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00866) 1g > (COL-00866) 5g > (COL-00866) 10g > (COL-00866) POA > (COL-00866) POA > (COL-00866) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.9750 -12.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9750 -13.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2750 -14.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5167 -13.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 17 1 0 0 0 0 11 10 2 0 0 0 0 12 16 1 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (COL-00867) COL-00867 > (COL-00867) x > (COL-00867) 2-((2,3-dimethylimidazo[1,2-a]pyridin-7-yl)methoxy)acetic acid > (COL-00867) 1g > (COL-00867) 5g > (COL-00867) 10g > (COL-00867) POA > (COL-00867) POA > (COL-00867) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 12 9 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00868) COL-00868 > (COL-00868) x > (COL-00868) quinolin-8-ylmethanol > (COL-00868) 16032-35-2 > (COL-00868) MFCD00769488 > (COL-00868) 1g > (COL-00868) 5g > (COL-00868) 10g > (COL-00868) POA > (COL-00868) POA > (COL-00868) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 15 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 20 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 5 1 0 0 0 0 18 17 2 0 0 0 0 19 6 2 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 11 1 0 0 0 0 26 25 2 0 0 0 0 16 14 1 0 0 0 0 21 11 2 0 0 0 0 26 19 1 0 0 0 0 M END > (COL-00869) COL-00869 > (COL-00869) tert-butyl 4-((quinolin-8-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00869) 1g > (COL-00869) 5g > (COL-00869) 10g > (COL-00869) POA > (COL-00869) POA > (COL-00869) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 14 1 0 0 0 0 13 3 2 0 0 0 0 14 6 2 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 16 13 1 0 0 0 0 12 11 2 0 0 0 0 M END > (COL-00870) COL-00870 > (COL-00870) x > (COL-00870) 2-(quinolin-8-ylmethoxy)acetic acid > (COL-00870) 1g > (COL-00870) 5g > (COL-00870) 10g > (COL-00870) POA > (COL-00870) POA > (COL-00870) POA $$$$ -ISIS- 02091117132D 13 14 0 0 0 0 0 0 0 0999 V2000 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 4 2 0 0 0 0 8 10 2 0 0 0 0 12 5 1 0 0 0 0 M END > (COL-00871) COL-00871 > (COL-00871) x > (COL-00871) x > (COL-00871) (8-bromoquinolin-4-yl)methanol > (COL-00871) 1190315-99-1 > (COL-00871) MFCD12828255 > (COL-00871) 1g > (COL-00871) 5g > (COL-00871) 10g > (COL-00871) POA > (COL-00871) POA > (COL-00871) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 11 2 0 0 0 0 5 1 1 0 0 0 0 6 15 1 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 20 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 24 1 0 0 0 0 15 22 2 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 16 1 0 0 0 0 19 4 1 0 0 0 0 20 14 1 0 0 0 0 21 19 2 0 0 0 0 22 11 1 0 0 0 0 23 21 1 0 0 0 0 24 18 1 0 0 0 0 25 12 1 0 0 0 0 26 12 1 0 0 0 0 27 12 1 0 0 0 0 18 17 1 0 0 0 0 6 3 2 0 0 0 0 23 8 2 0 0 0 0 M END > (COL-00872) COL-00872 > (COL-00872) x > (COL-00872) tert-butyl 4-(((8-bromoquinolin-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00872) 1g > (COL-00872) 5g > (COL-00872) 10g > (COL-00872) POA > (COL-00872) POA > (COL-00872) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7292 -12.5542 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -10.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -11.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 12 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 2 0 0 0 0 8 5 1 0 0 0 0 9 14 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 14 6 1 0 0 0 0 15 17 1 0 0 0 0 16 11 2 0 0 0 0 17 5 2 0 0 0 0 13 15 2 0 0 0 0 16 6 1 0 0 0 0 M END > (COL-00873) COL-00873 > (COL-00873) x > (COL-00873) x > (COL-00873) 2-((8-bromoquinolin-4-yl)methoxy)acetic acid > (COL-00873) 1g > (COL-00873) 5g > (COL-00873) 10g > (COL-00873) POA > (COL-00873) POA > (COL-00873) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 10 1 0 0 0 0 9 3 2 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 6 4 2 0 0 0 0 12 9 1 0 0 0 0 M END > (COL-00874) COL-00874 > (COL-00874) x > (COL-00874) (1,8-naphthyridin-2-yl)methanol > (COL-00874) 1g > (COL-00874) 5g > (COL-00874) 10g > (COL-00874) POA > (COL-00874) POA > (COL-00874) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 12 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 13 2 0 0 0 0 11 5 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 14 21 1 0 0 0 0 15 12 2 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 16 1 0 0 0 0 19 6 2 0 0 0 0 20 14 1 0 0 0 0 21 18 1 0 0 0 0 22 11 1 0 0 0 0 23 11 1 0 0 0 0 24 11 1 0 0 0 0 25 10 1 0 0 0 0 26 25 2 0 0 0 0 18 17 1 0 0 0 0 10 4 1 0 0 0 0 26 19 1 0 0 0 0 M END > (COL-00875) COL-00875 > (COL-00875) tert-butyl 4-(((1,8-naphthyridin-2-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00875) 1g > (COL-00875) 5g > (COL-00875) 10g > (COL-00875) POA > (COL-00875) POA > (COL-00875) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 12 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 3 2 0 0 0 0 15 5 1 0 0 0 0 16 15 2 0 0 0 0 8 5 2 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00876) COL-00876 > (COL-00876) x > (COL-00876) 2-((1,8-naphthyridin-2-yl)methoxy)acetic acid > (COL-00876) 1g > (COL-00876) 5g > (COL-00876) 10g > (COL-00876) POA > (COL-00876) POA > (COL-00876) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 20.0542 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8542 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8792 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 13 1 0 0 0 0 16 10 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 6 15 1 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00877) COL-00877 > (COL-00877) x > (COL-00877) tert-butyl 7-(hydroxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00877) 1g > (COL-00877) 5g > (COL-00877) 10g > (COL-00877) POA > (COL-00877) POA > (COL-00877) POA $$$$ -ISIS- 02091117132D 36 39 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 13 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 4 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 7 1 0 0 0 0 15 1 1 0 0 0 0 16 6 1 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 27 1 0 0 0 0 20 17 1 0 0 0 0 21 24 1 0 0 0 0 22 24 1 0 0 0 0 23 18 1 0 0 0 0 24 28 1 0 0 0 0 25 15 1 0 0 0 0 26 25 1 0 0 0 0 27 16 1 0 0 0 0 28 19 1 0 0 0 0 29 14 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 23 2 0 0 0 0 33 23 1 0 0 0 0 34 32 1 0 0 0 0 35 33 2 0 0 0 0 36 35 1 0 0 0 0 8 26 1 0 0 0 0 16 20 2 0 0 0 0 5 12 1 0 0 0 0 36 34 2 0 0 0 0 M END > (COL-00878) COL-00878 > (COL-00878) tert-butyl 7-(((1-((benzyloxy)carbonyl)piperidin-4-yl)methoxy)methyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxylate > (COL-00878) 1g > (COL-00878) 5g > (COL-00878) 10g > (COL-00878) POA > (COL-00878) POA > (COL-00878) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 20.2042 -14.9917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -15.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -16.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -16.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6917 -16.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -17.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -17.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 17 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 1 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 20 1 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 11 1 0 0 0 0 19 18 1 0 0 0 0 20 12 1 0 0 0 0 21 9 1 0 0 0 0 22 9 1 0 0 0 0 23 9 1 0 0 0 0 6 19 1 0 0 0 0 12 16 2 0 0 0 0 M END > (COL-00879) COL-00879 > (COL-00879) x > (COL-00879) 2-((8-(tert-butoxycarbonyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)methoxy)acetic acid > (COL-00879) 1g > (COL-00879) 5g > (COL-00879) 10g > (COL-00879) POA > (COL-00879) POA > (COL-00879) POA $$$$ -ISIS- 02091117132D 12 13 0 0 0 0 0 0 0 0999 V2000 19.2042 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 2 5 2 0 0 0 0 10 12 2 0 0 0 0 M END > (COL-00880) COL-00880 > (COL-00880) x > (COL-00880) quinoxalin-2-ylmethanol > (COL-00880) MFCD00781872 > (COL-00880) 1g > (COL-00880) 5g > (COL-00880) 10g > (COL-00880) POA > (COL-00880) POA > (COL-00880) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 18 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 20 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 6 1 0 0 0 0 20 17 1 0 0 0 0 21 12 1 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 9 1 0 0 0 0 25 19 2 0 0 0 0 26 24 2 0 0 0 0 17 16 1 0 0 0 0 9 6 1 0 0 0 0 26 25 1 0 0 0 0 M END > (COL-00881) COL-00881 > (COL-00881) tert-butyl 4-((quinoxalin-2-ylmethoxy)methyl)piperidine-1-carboxylate > (COL-00881) 1g > (COL-00881) 5g > (COL-00881) 10g > (COL-00881) POA > (COL-00881) POA > (COL-00881) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 19.3625 -13.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 3 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 12 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 2 6 2 0 0 0 0 14 16 2 0 0 0 0 M END > (COL-00882) COL-00882 > (COL-00882) x > (COL-00882) 2-(quinoxalin-2-ylmethoxy)acetic acid > (COL-00882) 1g > (COL-00882) 5g > (COL-00882) 10g > (COL-00882) POA > (COL-00882) POA > (COL-00882) POA $$$$ -ISIS- 02091117132D 15 16 0 0 0 0 0 0 0 0999 V2000 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2667 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 1 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 13 2 0 0 0 0 15 6 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-00883) COL-00883 > (COL-00883) x > (COL-00883) x > (COL-00883) (3'-bromo-[1,1'-biphenyl]-4-yl)methanol > (COL-00883) MFCD05980013 > (COL-00883) 1g > (COL-00883) 5g > (COL-00883) 10g > (COL-00883) POA > (COL-00883) POA > (COL-00883) POA $$$$ -ISIS- 02091117132D 29 31 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 12 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 9 2 0 0 0 0 14 25 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 17 24 1 0 0 0 0 18 8 1 0 0 0 0 19 7 1 0 0 0 0 20 13 1 0 0 0 0 21 18 1 0 0 0 0 22 4 2 0 0 0 0 23 22 1 0 0 0 0 24 14 1 0 0 0 0 25 21 1 0 0 0 0 26 10 1 0 0 0 0 27 10 1 0 0 0 0 28 10 1 0 0 0 0 29 23 2 0 0 0 0 21 19 1 0 0 0 0 6 11 2 0 0 0 0 29 13 1 0 0 0 0 M END > (COL-00884) COL-00884 > (COL-00884) x > (COL-00884) tert-butyl 4-(((3'-bromo-[1,1'-biphenyl]-4-yl)methoxy)methyl)piperidine-1-carboxylate > (COL-00884) 1g > (COL-00884) 5g > (COL-00884) 10g > (COL-00884) POA > (COL-00884) POA > (COL-00884) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4167 -13.5292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 15 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 18 1 0 0 0 0 10 2 1 0 0 0 0 11 7 1 0 0 0 0 12 6 2 0 0 0 0 13 11 2 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 1 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 17 2 0 0 0 0 19 8 1 0 0 0 0 12 13 1 0 0 0 0 M END > (COL-00885) COL-00885 > (COL-00885) x > (COL-00885) x > (COL-00885) 2-((3'-bromo-[1,1'-biphenyl]-4-yl)methoxy)acetic acid > (COL-00885) 1g > (COL-00885) 5g > (COL-00885) 10g > (COL-00885) POA > (COL-00885) POA > (COL-00885) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.7417 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 12 14 2 0 0 0 0 6 8 1 0 0 0 0 M END > (COL-00886) COL-00886 > (COL-00886) x > (COL-00886) (4-(pyridin-2-yl)phenyl)methanol > (COL-00886) 98061-39-3 > (COL-00886) MFCD04116292 > (COL-00886) 1g > (COL-00886) 5g > (COL-00886) 10g > (COL-00886) POA > (COL-00886) POA > (COL-00886) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 2 0 0 0 0 6 11 2 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 15 16 2 0 0 0 0 16 21 1 0 0 0 0 17 8 1 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 5 1 0 0 0 0 21 13 1 0 0 0 0 22 19 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 10 1 0 0 0 0 26 9 1 0 0 0 0 27 28 1 0 0 0 0 28 26 2 0 0 0 0 19 18 1 0 0 0 0 6 12 1 0 0 0 0 27 20 2 0 0 0 0 M END > (COL-00887) COL-00887 > (COL-00887) tert-butyl 4-(((4-(pyridin-2-yl)benzyl)oxy)methyl)piperidine-1-carboxylate > (COL-00887) 1g > (COL-00887) 5g > (COL-00887) 10g > (COL-00887) POA > (COL-00887) POA > (COL-00887) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 7 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 1 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 12 15 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 3 6 1 0 0 0 0 17 14 2 0 0 0 0 M END > (COL-00888) COL-00888 > (COL-00888) x > (COL-00888) 2-((4-(pyridin-2-yl)benzyl)oxy)acetic acid > (COL-00888) 1g > (COL-00888) 5g > (COL-00888) 10g > (COL-00888) POA > (COL-00888) POA > (COL-00888) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 21.7417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4292 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0542 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7417 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5792 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5250 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3667 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 11 1 0 0 0 0 4 12 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 1 2 0 0 0 0 12 1 1 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 5 3 2 0 0 0 0 8 10 1 0 0 0 0 M END > (COL-00889) COL-00889 > (COL-00889) x > (COL-00889) (4-(pyrimidin-5-yl)phenyl)methanol > (COL-00889) 198084-13-8 > (COL-00889) MFCD06802874 > (COL-00889) 1g > (COL-00889) 5g > (COL-00889) 10g > (COL-00889) POA > (COL-00889) POA > (COL-00889) POA $$$$ -ISIS- 02091117132D 28 30 0 0 0 0 0 0 0 0999 V2000 13.4625 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -13.5292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.4625 -14.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3042 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6167 -15.4750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1042 -16.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 -15.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -14.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 13 2 0 0 0 0 7 21 1 0 0 0 0 8 22 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 8 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 18 24 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 5 2 0 0 0 0 22 5 1 0 0 0 0 23 19 1 0 0 0 0 24 15 1 0 0 0 0 25 23 1 0 0 0 0 26 11 1 0 0 0 0 27 11 1 0 0 0 0 28 11 1 0 0 0 0 23 20 1 0 0 0 0 6 14 1 0 0 0 0 12 7 2 0 0 0 0 M END > (COL-00890) COL-00890 > (COL-00890) tert-butyl 4-(((4-(pyrimidin-5-yl)benzyl)oxy)methyl)piperidine-1-carboxylate > (COL-00890) 1g > (COL-00890) 5g > (COL-00890) 10g > (COL-00890) POA > (COL-00890) POA > (COL-00890) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 21.8917 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -15.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.9917 -13.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5792 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -14.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0500 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6750 -12.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1417 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2042 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3625 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8917 -14.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 -13.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5167 -12.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 5 15 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 18 1 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 13 2 0 0 0 0 15 1 2 0 0 0 0 16 1 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 7 5 2 0 0 0 0 12 14 1 0 0 0 0 M END > (COL-00891) COL-00891 > (COL-00891) x > (COL-00891) 2-((4-(pyrimidin-5-yl)benzyl)oxy)acetic acid > (COL-00891) 1g > (COL-00891) 5g > (COL-00891) 10g > (COL-00891) POA > (COL-00891) POA > (COL-00891) POA $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00892) COL-00892 > (COL-00892) x > (COL-00892) x > (COL-00892) 3-(3-ethylureido)propanoic acid > (COL-00892) MFCD09738440 > (COL-00892) 1g > (COL-00892) 5g > (COL-00892) 10g > (COL-00892) POA > (COL-00892) POA > (COL-00892) POA $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00893) COL-00893 > (COL-00893) x > (COL-00893) x > (COL-00893) 1-((3-ethylureido)methyl)cyclopropanecarboxylic acid > (COL-00893) 1g > (COL-00893) 5g > (COL-00893) 10g > (COL-00893) POA > (COL-00893) POA > (COL-00893) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00894) COL-00894 > (COL-00894) x > (COL-00894) x > (COL-00894) 1-((3-ethylureido)methyl)cyclohexanecarboxylic acid > (COL-00894) 1g > (COL-00894) 5g > (COL-00894) 10g > (COL-00894) POA > (COL-00894) POA > (COL-00894) POA $$$$ -ISIS- 02091117132D 11 10 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-00895) COL-00895 > (COL-00895) x > (COL-00895) x > (COL-00895) 2-((3-ethylureido)oxy)acetic acid > (COL-00895) 1g > (COL-00895) 5g > (COL-00895) 10g > (COL-00895) POA > (COL-00895) POA > (COL-00895) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00896) COL-00896 > (COL-00896) x > (COL-00896) x > (COL-00896) x > (COL-00896) 2-(2-(ethylcarbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00896) 1g > (COL-00896) 5g > (COL-00896) 10g > (COL-00896) POA > (COL-00896) POA > (COL-00896) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00897) COL-00897 > (COL-00897) x > (COL-00897) x > (COL-00897) 3-(3-ethylureido)thiophene-2-carboxylic acid > (COL-00897) MFCD11213467 > (COL-00897) 1g > (COL-00897) 5g > (COL-00897) 10g > (COL-00897) POA > (COL-00897) POA > (COL-00897) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00898) COL-00898 > (COL-00898) x > (COL-00898) x > (COL-00898) 2-(3-ethylureido)thiophene-3-carboxylic acid > (COL-00898) MFCD11106247 > (COL-00898) 1g > (COL-00898) 5g > (COL-00898) 10g > (COL-00898) POA > (COL-00898) POA > (COL-00898) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00899) COL-00899 > (COL-00899) x > (COL-00899) x > (COL-00899) 3-(3-propylureido)propanoic acid > (COL-00899) MFCD09732700 > (COL-00899) 1g > (COL-00899) 5g > (COL-00899) 10g > (COL-00899) POA > (COL-00899) POA > (COL-00899) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00900) COL-00900 > (COL-00900) x > (COL-00900) x > (COL-00900) 1-((3-propylureido)methyl)cyclopropanecarboxylic acid > (COL-00900) 1g > (COL-00900) 5g > (COL-00900) 10g > (COL-00900) POA > (COL-00900) POA > (COL-00900) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 17 15 1 0 0 0 0 M END > (COL-00901) COL-00901 > (COL-00901) x > (COL-00901) x > (COL-00901) 1-((3-propylureido)methyl)cyclohexanecarboxylic acid > (COL-00901) 1g > (COL-00901) 5g > (COL-00901) 10g > (COL-00901) POA > (COL-00901) POA > (COL-00901) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 M END > (COL-00902) COL-00902 > (COL-00902) x > (COL-00902) x > (COL-00902) 2-((3-propylureido)oxy)acetic acid > (COL-00902) 1g > (COL-00902) 5g > (COL-00902) 10g > (COL-00902) POA > (COL-00902) POA > (COL-00902) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 M END > (COL-00903) COL-00903 > (COL-00903) x > (COL-00903) x > (COL-00903) x > (COL-00903) 2-(1-methyl-2-(propylcarbamoyl)hydrazinyl)acetic acid > (COL-00903) 1g > (COL-00903) 5g > (COL-00903) 10g > (COL-00903) POA > (COL-00903) POA > (COL-00903) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00904) COL-00904 > (COL-00904) x > (COL-00904) x > (COL-00904) 3-(3-propylureido)thiophene-2-carboxylic acid > (COL-00904) MFCD11171979 > (COL-00904) 1g > (COL-00904) 5g > (COL-00904) 10g > (COL-00904) POA > (COL-00904) POA > (COL-00904) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00905) COL-00905 > (COL-00905) x > (COL-00905) x > (COL-00905) 2-(3-propylureido)thiophene-3-carboxylic acid > (COL-00905) MFCD11171971 > (COL-00905) 1g > (COL-00905) 5g > (COL-00905) 10g > (COL-00905) POA > (COL-00905) POA > (COL-00905) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00906) COL-00906 > (COL-00906) x > (COL-00906) x > (COL-00906) 3-(3-isopropylureido)propanoic acid > (COL-00906) MFCD09739647 > (COL-00906) 1g > (COL-00906) 5g > (COL-00906) 10g > (COL-00906) POA > (COL-00906) POA > (COL-00906) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00907) COL-00907 > (COL-00907) x > (COL-00907) x > (COL-00907) 1-((3-isopropylureido)methyl)cyclopropanecarboxylic acid > (COL-00907) 1g > (COL-00907) 5g > (COL-00907) 10g > (COL-00907) POA > (COL-00907) POA > (COL-00907) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-00908) COL-00908 > (COL-00908) x > (COL-00908) x > (COL-00908) 1-((3-isopropylureido)methyl)cyclohexanecarboxylic acid > (COL-00908) 1g > (COL-00908) 5g > (COL-00908) 10g > (COL-00908) POA > (COL-00908) POA > (COL-00908) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-00909) COL-00909 > (COL-00909) x > (COL-00909) x > (COL-00909) 2-((3-isopropylureido)oxy)acetic acid > (COL-00909) 1g > (COL-00909) 5g > (COL-00909) 10g > (COL-00909) POA > (COL-00909) POA > (COL-00909) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-00910) COL-00910 > (COL-00910) x > (COL-00910) x > (COL-00910) x > (COL-00910) 2-(2-(isopropylcarbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00910) 1g > (COL-00910) 5g > (COL-00910) 10g > (COL-00910) POA > (COL-00910) POA > (COL-00910) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00911) COL-00911 > (COL-00911) x > (COL-00911) x > (COL-00911) 3-(3-isopropylureido)thiophene-2-carboxylic acid > (COL-00911) MFCD11167461 > (COL-00911) 1g > (COL-00911) 5g > (COL-00911) 10g > (COL-00911) POA > (COL-00911) POA > (COL-00911) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00912) COL-00912 > (COL-00912) x > (COL-00912) x > (COL-00912) 2-(3-isopropylureido)thiophene-3-carboxylic acid > (COL-00912) MFCD11167457 > (COL-00912) 1g > (COL-00912) 5g > (COL-00912) 10g > (COL-00912) POA > (COL-00912) POA > (COL-00912) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00913) COL-00913 > (COL-00913) x > (COL-00913) x > (COL-00913) 3-(3-isobutylureido)propanoic acid > (COL-00913) MFCD09730258 > (COL-00913) 1g > (COL-00913) 5g > (COL-00913) 10g > (COL-00913) POA > (COL-00913) POA > (COL-00913) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00914) COL-00914 > (COL-00914) x > (COL-00914) x > (COL-00914) 1-((3-isobutylureido)methyl)cyclopropanecarboxylic acid > (COL-00914) 1g > (COL-00914) 5g > (COL-00914) 10g > (COL-00914) POA > (COL-00914) POA > (COL-00914) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 18 15 1 0 0 0 0 M END > (COL-00915) COL-00915 > (COL-00915) x > (COL-00915) x > (COL-00915) 1-((3-isobutylureido)methyl)cyclohexanecarboxylic acid > (COL-00915) 1g > (COL-00915) 5g > (COL-00915) 10g > (COL-00915) POA > (COL-00915) POA > (COL-00915) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-00916) COL-00916 > (COL-00916) x > (COL-00916) x > (COL-00916) 2-((3-isobutylureido)oxy)acetic acid > (COL-00916) 1g > (COL-00916) 5g > (COL-00916) 10g > (COL-00916) POA > (COL-00916) POA > (COL-00916) POA $$$$ -ISIS- 02091117132D 14 13 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 M END > (COL-00917) COL-00917 > (COL-00917) x > (COL-00917) x > (COL-00917) x > (COL-00917) 2-(2-(isobutylcarbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00917) 1g > (COL-00917) 5g > (COL-00917) 10g > (COL-00917) POA > (COL-00917) POA > (COL-00917) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00918) COL-00918 > (COL-00918) x > (COL-00918) x > (COL-00918) 3-(3-isobutylureido)thiophene-2-carboxylic acid > (COL-00918) 1g > (COL-00918) 5g > (COL-00918) 10g > (COL-00918) POA > (COL-00918) POA > (COL-00918) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00919) COL-00919 > (COL-00919) x > (COL-00919) x > (COL-00919) 2-(3-isobutylureido)thiophene-3-carboxylic acid > (COL-00919) 1g > (COL-00919) 5g > (COL-00919) 10g > (COL-00919) POA > (COL-00919) POA > (COL-00919) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00920) COL-00920 > (COL-00920) x > (COL-00920) x > (COL-00920) 3-(3-(cyclohexylmethyl)ureido)propanoic acid > (COL-00920) MFCD14596585 > (COL-00920) 1g > (COL-00920) 5g > (COL-00920) 10g > (COL-00920) POA > (COL-00920) POA > (COL-00920) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 4 3 1 0 0 0 0 18 17 1 0 0 0 0 M END > (COL-00921) COL-00921 > (COL-00921) x > (COL-00921) x > (COL-00921) 1-((3-(cyclohexylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00921) 1g > (COL-00921) 5g > (COL-00921) 10g > (COL-00921) POA > (COL-00921) POA > (COL-00921) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 21 17 1 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-00922) COL-00922 > (COL-00922) x > (COL-00922) x > (COL-00922) 1-((3-(cyclohexylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00922) 1g > (COL-00922) 5g > (COL-00922) 10g > (COL-00922) POA > (COL-00922) POA > (COL-00922) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-00923) COL-00923 > (COL-00923) x > (COL-00923) x > (COL-00923) 2-((3-(cyclohexylmethyl)ureido)oxy)acetic acid > (COL-00923) 1g > (COL-00923) 5g > (COL-00923) 10g > (COL-00923) POA > (COL-00923) POA > (COL-00923) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-00924) COL-00924 > (COL-00924) x > (COL-00924) x > (COL-00924) x > (COL-00924) 2-(2-((cyclohexylmethyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00924) 1g > (COL-00924) 5g > (COL-00924) 10g > (COL-00924) POA > (COL-00924) POA > (COL-00924) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 8 7 2 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-00925) COL-00925 > (COL-00925) x > (COL-00925) x > (COL-00925) 3-(3-(cyclohexylmethyl)ureido)thiophene-2-carboxylic acid > (COL-00925) 1g > (COL-00925) 5g > (COL-00925) 10g > (COL-00925) POA > (COL-00925) POA > (COL-00925) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 7 8 2 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-00926) COL-00926 > (COL-00926) x > (COL-00926) x > (COL-00926) 2-(3-(cyclohexylmethyl)ureido)thiophene-3-carboxylic acid > (COL-00926) 1g > (COL-00926) 5g > (COL-00926) 10g > (COL-00926) POA > (COL-00926) POA > (COL-00926) POA $$$$ -ISIS- 02091117132D 17 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 12 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 13 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 11 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 M END > (COL-00927) COL-00927 > (COL-00927) x > (COL-00927) x > (COL-00927) 3-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)propanoic acid > (COL-00927) 1g > (COL-00927) 5g > (COL-00927) 10g > (COL-00927) POA > (COL-00927) POA > (COL-00927) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 2 2 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 16 2 1 0 0 0 0 17 14 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00928) COL-00928 > (COL-00928) x > (COL-00928) x > (COL-00928) 1-((3-(2-(tert-butoxy)-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00928) 1g > (COL-00928) 5g > (COL-00928) 10g > (COL-00928) POA > (COL-00928) POA > (COL-00928) POA $$$$ -ISIS- 02091117132D 22 22 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 1 1 0 0 0 0 16 1 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 19 12 1 0 0 0 0 20 16 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 M END > (COL-00929) COL-00929 > (COL-00929) x > (COL-00929) x > (COL-00929) 1-((3-(2-(tert-butoxy)-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00929) 1g > (COL-00929) 5g > (COL-00929) 10g > (COL-00929) POA > (COL-00929) POA > (COL-00929) POA $$$$ -ISIS- 02091117132D 17 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 13 1 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 2 1 0 0 0 0 15 12 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 M END > (COL-00930) COL-00930 > (COL-00930) x > (COL-00930) x > (COL-00930) 10,10-dimethyl-5,8-dioxo-3,9-dioxa-4,6-diazaundecan-1-oic acid > (COL-00930) 1g > (COL-00930) 5g > (COL-00930) 10g > (COL-00930) POA > (COL-00930) POA > (COL-00930) POA $$$$ -ISIS- 02091117132D 18 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 13 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 4 2 0 0 0 0 11 6 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 M END > (COL-00931) COL-00931 > (COL-00931) x > (COL-00931) x > (COL-00931) x > (COL-00931) 2-(2-((2-(tert-butoxy)-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00931) 1g > (COL-00931) 5g > (COL-00931) 10g > (COL-00931) POA > (COL-00931) POA > (COL-00931) POA $$$$ -ISIS- 02091117132D 20 20 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 16 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 3 2 0 0 0 0 14 9 2 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 3 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00932) COL-00932 > (COL-00932) x > (COL-00932) x > (COL-00932) 3-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)thiophene-2-carboxylic acid > (COL-00932) 1g > (COL-00932) 5g > (COL-00932) 10g > (COL-00932) POA > (COL-00932) POA > (COL-00932) POA $$$$ -ISIS- 02091117132D 20 20 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 16 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 9 1 0 0 0 0 13 5 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00933) COL-00933 > (COL-00933) x > (COL-00933) x > (COL-00933) 2-(3-(2-(tert-butoxy)-2-oxoethyl)ureido)thiophene-3-carboxylic acid > (COL-00933) 1g > (COL-00933) 5g > (COL-00933) 10g > (COL-00933) POA > (COL-00933) POA > (COL-00933) POA $$$$ -ISIS- 02091117132D 14 13 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00934) COL-00934 > (COL-00934) x > (COL-00934) x > (COL-00934) 3-(3-(2-methoxy-2-oxoethyl)ureido)propanoic acid > (COL-00934) MFCD14595761 > (COL-00934) 1g > (COL-00934) 5g > (COL-00934) 10g > (COL-00934) POA > (COL-00934) POA > (COL-00934) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 15 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00935) COL-00935 > (COL-00935) x > (COL-00935) x > (COL-00935) 1-((3-(2-methoxy-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00935) 1g > (COL-00935) 5g > (COL-00935) 10g > (COL-00935) POA > (COL-00935) POA > (COL-00935) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 6 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 17 1 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-00936) COL-00936 > (COL-00936) x > (COL-00936) x > (COL-00936) 1-((3-(2-methoxy-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00936) 1g > (COL-00936) 5g > (COL-00936) 10g > (COL-00936) POA > (COL-00936) POA > (COL-00936) POA $$$$ -ISIS- 02091117132D 14 13 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 11 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-00937) COL-00937 > (COL-00937) x > (COL-00937) x > (COL-00937) 3,6-dioxo-2,8-dioxa-5,7-diazadecan-10-oic acid > (COL-00937) 1g > (COL-00937) 5g > (COL-00937) 10g > (COL-00937) POA > (COL-00937) POA > (COL-00937) POA $$$$ -ISIS- 02091117132D 15 14 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 M END > (COL-00938) COL-00938 > (COL-00938) x > (COL-00938) x > (COL-00938) x > (COL-00938) 2-(2-((2-methoxy-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00938) 1g > (COL-00938) 5g > (COL-00938) 10g > (COL-00938) POA > (COL-00938) POA > (COL-00938) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 14 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 3 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00939) COL-00939 > (COL-00939) x > (COL-00939) x > (COL-00939) 3-(3-(2-methoxy-2-oxoethyl)ureido)thiophene-2-carboxylic acid > (COL-00939) 1g > (COL-00939) 5g > (COL-00939) 10g > (COL-00939) POA > (COL-00939) POA > (COL-00939) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 14 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 16 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00940) COL-00940 > (COL-00940) x > (COL-00940) x > (COL-00940) 2-(3-(2-methoxy-2-oxoethyl)ureido)thiophene-3-carboxylic acid > (COL-00940) 1g > (COL-00940) 5g > (COL-00940) 10g > (COL-00940) POA > (COL-00940) POA > (COL-00940) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 M END > (COL-00941) COL-00941 > (COL-00941) x > (COL-00941) x > (COL-00941) 3-(3-(2-amino-2-oxoethyl)ureido)propanoic acid > (COL-00941) MFCD14595625 > (COL-00941) 1g > (COL-00941) 5g > (COL-00941) 10g > (COL-00941) POA > (COL-00941) POA > (COL-00941) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 2 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00942) COL-00942 > (COL-00942) x > (COL-00942) x > (COL-00942) 1-((3-(2-amino-2-oxoethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00942) 1g > (COL-00942) 5g > (COL-00942) 10g > (COL-00942) POA > (COL-00942) POA > (COL-00942) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 18 17 1 0 0 0 0 M END > (COL-00943) COL-00943 > (COL-00943) x > (COL-00943) x > (COL-00943) 1-((3-(2-amino-2-oxoethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00943) 1g > (COL-00943) 5g > (COL-00943) 10g > (COL-00943) POA > (COL-00943) POA > (COL-00943) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 11 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 3 1 0 0 0 0 13 2 1 0 0 0 0 M END > (COL-00944) COL-00944 > (COL-00944) x > (COL-00944) x > (COL-00944) 2-((3-(2-amino-2-oxoethyl)ureido)oxy)acetic acid > (COL-00944) 1g > (COL-00944) 5g > (COL-00944) 10g > (COL-00944) POA > (COL-00944) POA > (COL-00944) POA $$$$ -ISIS- 02091117132D 14 13 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 M END > (COL-00945) COL-00945 > (COL-00945) x > (COL-00945) x > (COL-00945) x > (COL-00945) 2-(2-((2-amino-2-oxoethyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00945) 1g > (COL-00945) 5g > (COL-00945) 10g > (COL-00945) POA > (COL-00945) POA > (COL-00945) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 16 3 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00946) COL-00946 > (COL-00946) x > (COL-00946) x > (COL-00946) 3-(3-(2-amino-2-oxoethyl)ureido)thiophene-2-carboxylic acid > (COL-00946) 1g > (COL-00946) 5g > (COL-00946) 10g > (COL-00946) POA > (COL-00946) POA > (COL-00946) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00947) COL-00947 > (COL-00947) x > (COL-00947) x > (COL-00947) 2-(3-(2-amino-2-oxoethyl)ureido)thiophene-3-carboxylic acid > (COL-00947) 1g > (COL-00947) 5g > (COL-00947) 10g > (COL-00947) POA > (COL-00947) POA > (COL-00947) POA $$$$ -ISIS- 02091117132D 18 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 12 1 0 0 0 0 M END > (COL-00948) COL-00948 > (COL-00948) x > (COL-00948) x > (COL-00948) 3-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)propanoic acid > (COL-00948) 1g > (COL-00948) 5g > (COL-00948) 10g > (COL-00948) POA > (COL-00948) POA > (COL-00948) POA $$$$ -ISIS- 02091117132D 20 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 17 1 0 0 0 0 11 5 2 0 0 0 0 12 2 2 0 0 0 0 13 7 2 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 2 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 15 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00949) COL-00949 > (COL-00949) x > (COL-00949) x > (COL-00949) 1-((3-(3-(tert-butoxy)-3-oxopropyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00949) 1g > (COL-00949) 5g > (COL-00949) 10g > (COL-00949) POA > (COL-00949) POA > (COL-00949) POA $$$$ -ISIS- 02091117132D 23 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 15 1 0 0 0 0 9 3 2 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 2 1 0 0 0 0 15 12 1 0 0 0 0 16 1 1 0 0 0 0 17 1 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 21 1 0 0 0 0 23 22 1 0 0 0 0 M END > (COL-00950) COL-00950 > (COL-00950) x > (COL-00950) x > (COL-00950) 1-((3-(3-(tert-butoxy)-3-oxopropyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00950) 1g > (COL-00950) 5g > (COL-00950) 10g > (COL-00950) POA > (COL-00950) POA > (COL-00950) POA $$$$ -ISIS- 02091117132D 18 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 12 1 0 0 0 0 5 2 1 0 0 0 0 6 14 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 3 2 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 13 1 0 0 0 0 M END > (COL-00951) COL-00951 > (COL-00951) x > (COL-00951) x > (COL-00951) 11,11-dimethyl-5,9-dioxo-3,10-dioxa-4,6-diazadodecan-1-oic acid > (COL-00951) 1g > (COL-00951) 5g > (COL-00951) 10g > (COL-00951) POA > (COL-00951) POA > (COL-00951) POA $$$$ -ISIS- 02091117132D 19 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 14 1 0 0 0 0 9 1 2 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 1 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 13 1 0 0 0 0 18 13 1 0 0 0 0 19 13 1 0 0 0 0 M END > (COL-00952) COL-00952 > (COL-00952) x > (COL-00952) x > (COL-00952) x > (COL-00952) 2-(2-((3-(tert-butoxy)-3-oxopropyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00952) 1g > (COL-00952) 5g > (COL-00952) 10g > (COL-00952) POA > (COL-00952) POA > (COL-00952) POA $$$$ -ISIS- 02091117132D 21 21 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 9 1 0 0 0 0 11 18 1 0 0 0 0 12 5 2 0 0 0 0 13 3 2 0 0 0 0 14 5 1 0 0 0 0 15 9 2 0 0 0 0 16 10 1 0 0 0 0 17 3 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00953) COL-00953 > (COL-00953) x > (COL-00953) x > (COL-00953) 3-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)thiophene-2-carboxylic acid > (COL-00953) 1g > (COL-00953) 5g > (COL-00953) 10g > (COL-00953) POA > (COL-00953) POA > (COL-00953) POA $$$$ -ISIS- 02091117132D 21 21 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 18 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 4 1 0 0 0 0 15 8 2 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 7 9 2 0 0 0 0 M END > (COL-00954) COL-00954 > (COL-00954) x > (COL-00954) x > (COL-00954) 2-(3-(3-(tert-butoxy)-3-oxopropyl)ureido)thiophene-3-carboxylic acid > (COL-00954) 1g > (COL-00954) 5g > (COL-00954) 10g > (COL-00954) POA > (COL-00954) POA > (COL-00954) POA $$$$ -ISIS- 02091117132D 15 14 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 14 1 0 0 0 0 M END > (COL-00955) COL-00955 > (COL-00955) x > (COL-00955) x > (COL-00955) 3-(3-(3-methoxy-3-oxopropyl)ureido)propanoic acid > (COL-00955) MFCD14618782 > (COL-00955) 1g > (COL-00955) 5g > (COL-00955) 10g > (COL-00955) POA > (COL-00955) POA > (COL-00955) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 15 1 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 2 1 0 0 0 0 15 12 1 0 0 0 0 16 7 1 0 0 0 0 17 16 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00956) COL-00956 > (COL-00956) x > (COL-00956) x > (COL-00956) 1-((3-(3-methoxy-3-oxopropyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00956) 1g > (COL-00956) 5g > (COL-00956) 10g > (COL-00956) POA > (COL-00956) POA > (COL-00956) POA $$$$ -ISIS- 02091117132D 20 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 1 1 0 0 0 0 16 1 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-00957) COL-00957 > (COL-00957) x > (COL-00957) x > (COL-00957) 1-((3-(3-methoxy-3-oxopropyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00957) 1g > (COL-00957) 5g > (COL-00957) 10g > (COL-00957) POA > (COL-00957) POA > (COL-00957) POA $$$$ -ISIS- 02091117132D 15 14 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 14 1 0 0 0 0 M END > (COL-00958) COL-00958 > (COL-00958) x > (COL-00958) x > (COL-00958) 3,7-dioxo-2,9-dioxa-6,8-diazaundecan-11-oic acid > (COL-00958) 1g > (COL-00958) 5g > (COL-00958) 10g > (COL-00958) POA > (COL-00958) POA > (COL-00958) POA $$$$ -ISIS- 02091117132D 16 15 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 1 1 0 0 0 0 11 6 2 0 0 0 0 12 10 1 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-00959) COL-00959 > (COL-00959) x > (COL-00959) x > (COL-00959) x > (COL-00959) 2-(2-((3-methoxy-3-oxopropyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00959) 1g > (COL-00959) 5g > (COL-00959) 10g > (COL-00959) POA > (COL-00959) POA > (COL-00959) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 5 2 0 0 0 0 12 3 2 0 0 0 0 13 5 1 0 0 0 0 14 9 2 0 0 0 0 15 3 1 0 0 0 0 16 13 1 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-00960) COL-00960 > (COL-00960) x > (COL-00960) x > (COL-00960) 3-(3-(3-methoxy-3-oxopropyl)ureido)thiophene-2-carboxylic acid > (COL-00960) 1g > (COL-00960) 5g > (COL-00960) 10g > (COL-00960) POA > (COL-00960) POA > (COL-00960) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 4 2 0 0 0 0 11 16 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 9 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-00961) COL-00961 > (COL-00961) x > (COL-00961) x > (COL-00961) 2-(3-(3-methoxy-3-oxopropyl)ureido)thiophene-3-carboxylic acid > (COL-00961) 1g > (COL-00961) 5g > (COL-00961) 10g > (COL-00961) POA > (COL-00961) POA > (COL-00961) POA $$$$ -ISIS- 02091117132D 19 18 0 0 0 0 0 0 0 0999 V2000 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 13 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 15 1 0 0 0 0 13 9 1 0 0 0 0 14 3 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 M END > (COL-00962) COL-00962 > (COL-00962) x > (COL-00962) x > (COL-00962) 2,2-dimethyl-4,9-dioxo-3-oxa-5,8,10-triazatridecan-13-oic acid > (COL-00962) 1g > (COL-00962) 5g > (COL-00962) 10g > (COL-00962) POA > (COL-00962) POA > (COL-00962) POA $$$$ -ISIS- 02091117132D 21 21 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 5 2 0 0 0 0 11 6 2 0 0 0 0 12 2 2 0 0 0 0 13 9 1 0 0 0 0 14 5 1 0 0 0 0 15 18 1 0 0 0 0 16 2 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 19 13 1 0 0 0 0 20 13 1 0 0 0 0 21 13 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-00963) COL-00963 > (COL-00963) x > (COL-00963) x > (COL-00963) 1-(10,10-dimethyl-3,8-dioxo-9-oxa-2,4,7-triazaundecyl)cyclopropanecarboxylic acid > (COL-00963) 1g > (COL-00963) 5g > (COL-00963) 10g > (COL-00963) POA > (COL-00963) POA > (COL-00963) POA $$$$ -ISIS- 02091117132D 24 24 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 2 2 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 18 1 0 0 0 0 14 2 1 0 0 0 0 15 1 1 0 0 0 0 16 1 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 16 1 0 0 0 0 23 15 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 M END > (COL-00964) COL-00964 > (COL-00964) x > (COL-00964) x > (COL-00964) 1-(10,10-dimethyl-3,8-dioxo-9-oxa-2,4,7-triazaundecyl)cyclohexanecarboxylic acid > (COL-00964) 1g > (COL-00964) 5g > (COL-00964) 10g > (COL-00964) POA > (COL-00964) POA > (COL-00964) POA $$$$ -ISIS- 02091117132D 19 18 0 0 0 0 0 0 0 0999 V2000 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 8 1 0 0 0 0 12 1 1 0 0 0 0 13 15 1 0 0 0 0 14 3 1 0 0 0 0 15 16 1 0 0 0 0 16 12 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 M END > (COL-00965) COL-00965 > (COL-00965) x > (COL-00965) x > (COL-00965) 12,12-dimethyl-5,10-dioxo-3,11-dioxa-4,6,9-triazatridecan-1-oic acid > (COL-00965) 1g > (COL-00965) 5g > (COL-00965) 10g > (COL-00965) POA > (COL-00965) POA > (COL-00965) POA $$$$ -ISIS- 02091117132D 20 19 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6292 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9875 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 16 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 20 11 1 0 0 0 0 M END > (COL-00966) COL-00966 > (COL-00966) x > (COL-00966) x > (COL-00966) x > (COL-00966) 3,12,12-trimethyl-5,10-dioxo-11-oxa-3,4,6,9-tetraazatridecan-1-oic acid > (COL-00966) 1g > (COL-00966) 5g > (COL-00966) 10g > (COL-00966) POA > (COL-00966) POA > (COL-00966) POA $$$$ -ISIS- 02091117132D 22 22 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 16 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 7 2 0 0 0 0 13 3 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 18 1 0 0 0 0 17 3 1 0 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 9 8 2 0 0 0 0 M END > (COL-00967) COL-00967 > (COL-00967) x > (COL-00967) x > (COL-00967) 3-(3-(2-((tert-butoxycarbonyl)amino)ethyl)ureido)thiophene-2-carboxylic acid > (COL-00967) 1g > (COL-00967) 5g > (COL-00967) 10g > (COL-00967) POA > (COL-00967) POA > (COL-00967) POA $$$$ -ISIS- 02091117132D 22 22 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6375 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -12.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9917 -14.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 16 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 4 1 0 0 0 0 16 18 1 0 0 0 0 17 5 1 0 0 0 0 18 19 1 0 0 0 0 19 15 1 0 0 0 0 20 14 1 0 0 0 0 21 14 1 0 0 0 0 22 14 1 0 0 0 0 8 9 2 0 0 0 0 M END > (COL-00968) COL-00968 > (COL-00968) x > (COL-00968) x > (COL-00968) 2-(3-(2-((tert-butoxycarbonyl)amino)ethyl)ureido)thiophene-3-carboxylic acid > (COL-00968) 1g > (COL-00968) 5g > (COL-00968) 10g > (COL-00968) POA > (COL-00968) POA > (COL-00968) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 10 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 12 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 16 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 18 1 0 0 0 0 18 15 1 0 0 0 0 17 13 1 0 0 0 0 M END > (COL-00969) COL-00969 > (COL-00969) x > (COL-00969) x > (COL-00969) 3-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)propanoic acid > (COL-00969) 1g > (COL-00969) 5g > (COL-00969) 10g > (COL-00969) POA > (COL-00969) POA > (COL-00969) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 11 1 0 0 0 0 11 14 1 0 0 0 0 12 5 1 0 0 0 0 13 2 1 0 0 0 0 14 18 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 20 1 0 0 0 0 20 17 1 0 0 0 0 4 3 1 0 0 0 0 19 15 1 0 0 0 0 M END > (COL-00970) COL-00970 > (COL-00970) x > (COL-00970) x > (COL-00970) 1-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00970) 1g > (COL-00970) 5g > (COL-00970) 10g > (COL-00970) POA > (COL-00970) POA > (COL-00970) POA $$$$ -ISIS- 02091117132D 23 24 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 18 1 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 9 1 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 23 20 1 0 0 0 0 21 15 1 0 0 0 0 M END > (COL-00971) COL-00971 > (COL-00971) x > (COL-00971) x > (COL-00971) 1-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00971) 1g > (COL-00971) 5g > (COL-00971) 10g > (COL-00971) POA > (COL-00971) POA > (COL-00971) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 16 1 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 14 1 0 0 0 0 17 18 1 0 0 0 0 18 15 1 0 0 0 0 17 13 1 0 0 0 0 M END > (COL-00972) COL-00972 > (COL-00972) x > (COL-00972) x > (COL-00972) 2-((3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)oxy)acetic acid > (COL-00972) 1g > (COL-00972) 5g > (COL-00972) 10g > (COL-00972) POA > (COL-00972) POA > (COL-00972) POA $$$$ -ISIS- 02091117132D 19 19 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 4 2 0 0 0 0 9 12 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 17 1 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00973) COL-00973 > (COL-00973) x > (COL-00973) x > (COL-00973) x > (COL-00973) 2-(1-methyl-2-((2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)carbamoyl)hydrazinyl)acetic acid > (COL-00973) 1g > (COL-00973) 5g > (COL-00973) 10g > (COL-00973) POA > (COL-00973) POA > (COL-00973) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 8 7 2 0 0 0 0 20 16 1 0 0 0 0 M END > (COL-00974) COL-00974 > (COL-00974) x > (COL-00974) x > (COL-00974) 3-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)thiophene-2-carboxylic acid > (COL-00974) 1g > (COL-00974) 5g > (COL-00974) 10g > (COL-00974) POA > (COL-00974) POA > (COL-00974) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 19 1 0 0 0 0 16 11 1 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 7 8 2 0 0 0 0 20 16 1 0 0 0 0 M END > (COL-00975) COL-00975 > (COL-00975) x > (COL-00975) x > (COL-00975) 2-(3-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)ureido)thiophene-3-carboxylic acid > (COL-00975) 1g > (COL-00975) 5g > (COL-00975) 10g > (COL-00975) POA > (COL-00975) POA > (COL-00975) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (COL-00976) COL-00976 > (COL-00976) x > (COL-00976) x > (COL-00976) 3-(3-benzylureido)propanoic acid > (COL-00976) MFCD08444452 > (COL-00976) 1g > (COL-00976) 5g > (COL-00976) 10g > (COL-00976) POA > (COL-00976) POA > (COL-00976) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 4 3 1 0 0 0 0 16 18 1 0 0 0 0 M END > (COL-00977) COL-00977 > (COL-00977) x > (COL-00977) x > (COL-00977) 1-((3-benzylureido)methyl)cyclopropanecarboxylic acid > (COL-00977) 1g > (COL-00977) 5g > (COL-00977) 10g > (COL-00977) POA > (COL-00977) POA > (COL-00977) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 19 2 0 0 0 0 21 16 1 0 0 0 0 21 17 1 0 0 0 0 18 20 1 0 0 0 0 M END > (COL-00978) COL-00978 > (COL-00978) x > (COL-00978) x > (COL-00978) 1-((3-benzylureido)methyl)cyclohexanecarboxylic acid > (COL-00978) 1g > (COL-00978) 5g > (COL-00978) 10g > (COL-00978) POA > (COL-00978) POA > (COL-00978) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 14 16 1 0 0 0 0 M END > (COL-00979) COL-00979 > (COL-00979) x > (COL-00979) x > (COL-00979) 2-((3-benzylureido)oxy)acetic acid > (COL-00979) 1g > (COL-00979) 5g > (COL-00979) 10g > (COL-00979) POA > (COL-00979) POA > (COL-00979) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 17 15 2 0 0 0 0 M END > (COL-00980) COL-00980 > (COL-00980) x > (COL-00980) x > (COL-00980) x > (COL-00980) 2-(2-(benzylcarbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00980) 1g > (COL-00980) 5g > (COL-00980) 10g > (COL-00980) POA > (COL-00980) POA > (COL-00980) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 8 7 2 0 0 0 0 19 17 2 0 0 0 0 M END > (COL-00981) COL-00981 > (COL-00981) x > (COL-00981) x > (COL-00981) 3-(3-benzylureido)thiophene-2-carboxylic acid > (COL-00981) MFCD11520127 > (COL-00981) 1g > (COL-00981) 5g > (COL-00981) 10g > (COL-00981) POA > (COL-00981) POA > (COL-00981) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 7 8 2 0 0 0 0 19 17 2 0 0 0 0 M END > (COL-00982) COL-00982 > (COL-00982) x > (COL-00982) x > (COL-00982) 2-(3-benzylureido)thiophene-3-carboxylic acid > (COL-00982) 1g > (COL-00982) 5g > (COL-00982) 10g > (COL-00982) POA > (COL-00982) POA > (COL-00982) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00983) COL-00983 > (COL-00983) x > (COL-00983) x > (COL-00983) x > (COL-00983) 3-(3-(4-fluorobenzyl)ureido)propanoic acid > (COL-00983) MFCD10011916 > (COL-00983) 1g > (COL-00983) 5g > (COL-00983) 10g > (COL-00983) POA > (COL-00983) POA > (COL-00983) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 4 3 1 0 0 0 0 13 17 2 0 0 0 0 M END > (COL-00984) COL-00984 > (COL-00984) x > (COL-00984) x > (COL-00984) x > (COL-00984) 1-((3-(4-fluorobenzyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00984) 1g > (COL-00984) 5g > (COL-00984) 10g > (COL-00984) POA > (COL-00984) POA > (COL-00984) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 16 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 11 17 2 0 0 0 0 M END > (COL-00985) COL-00985 > (COL-00985) x > (COL-00985) x > (COL-00985) x > (COL-00985) 1-((3-(4-fluorobenzyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00985) 1g > (COL-00985) 5g > (COL-00985) 10g > (COL-00985) POA > (COL-00985) POA > (COL-00985) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00986) COL-00986 > (COL-00986) x > (COL-00986) x > (COL-00986) x > (COL-00986) 2-((3-(4-fluorobenzyl)ureido)oxy)acetic acid > (COL-00986) 1g > (COL-00986) 5g > (COL-00986) 10g > (COL-00986) POA > (COL-00986) POA > (COL-00986) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 5 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00987) COL-00987 > (COL-00987) x > (COL-00987) x > (COL-00987) x > (COL-00987) x > (COL-00987) 2-(2-((4-fluorobenzyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00987) 1g > (COL-00987) 5g > (COL-00987) 10g > (COL-00987) POA > (COL-00987) POA > (COL-00987) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 17 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 8 7 2 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00988) COL-00988 > (COL-00988) x > (COL-00988) x > (COL-00988) x > (COL-00988) 3-(3-(4-fluorobenzyl)ureido)thiophene-2-carboxylic acid > (COL-00988) 1g > (COL-00988) 5g > (COL-00988) 10g > (COL-00988) POA > (COL-00988) POA > (COL-00988) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 17 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 7 8 2 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00989) COL-00989 > (COL-00989) x > (COL-00989) x > (COL-00989) x > (COL-00989) 2-(3-(4-fluorobenzyl)ureido)thiophene-3-carboxylic acid > (COL-00989) 1g > (COL-00989) 5g > (COL-00989) 10g > (COL-00989) POA > (COL-00989) POA > (COL-00989) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00990) COL-00990 > (COL-00990) x > (COL-00990) x > (COL-00990) x > (COL-00990) 3-(3-(4-chlorobenzyl)ureido)propanoic acid > (COL-00990) MFCD10011918 > (COL-00990) 1g > (COL-00990) 5g > (COL-00990) 10g > (COL-00990) POA > (COL-00990) POA > (COL-00990) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 4 3 1 0 0 0 0 13 17 2 0 0 0 0 M END > (COL-00991) COL-00991 > (COL-00991) x > (COL-00991) x > (COL-00991) x > (COL-00991) 1-((3-(4-chlorobenzyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00991) 1g > (COL-00991) 5g > (COL-00991) 10g > (COL-00991) POA > (COL-00991) POA > (COL-00991) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 16 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 11 17 2 0 0 0 0 M END > (COL-00992) COL-00992 > (COL-00992) x > (COL-00992) x > (COL-00992) x > (COL-00992) 1-((3-(4-chlorobenzyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00992) 1g > (COL-00992) 5g > (COL-00992) 10g > (COL-00992) POA > (COL-00992) POA > (COL-00992) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00993) COL-00993 > (COL-00993) x > (COL-00993) x > (COL-00993) x > (COL-00993) 2-((3-(4-chlorobenzyl)ureido)oxy)acetic acid > (COL-00993) 1g > (COL-00993) 5g > (COL-00993) 10g > (COL-00993) POA > (COL-00993) POA > (COL-00993) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 14 1 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 5 1 0 0 0 0 10 15 2 0 0 0 0 M END > (COL-00994) COL-00994 > (COL-00994) x > (COL-00994) x > (COL-00994) x > (COL-00994) x > (COL-00994) 2-(2-((4-chlorobenzyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-00994) 1g > (COL-00994) 5g > (COL-00994) 10g > (COL-00994) POA > (COL-00994) POA > (COL-00994) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 17 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 8 7 2 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00995) COL-00995 > (COL-00995) x > (COL-00995) x > (COL-00995) x > (COL-00995) 3-(3-(4-chlorobenzyl)ureido)thiophene-2-carboxylic acid > (COL-00995) 1g > (COL-00995) 5g > (COL-00995) 10g > (COL-00995) POA > (COL-00995) POA > (COL-00995) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 17 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 7 8 2 0 0 0 0 18 14 1 0 0 0 0 M END > (COL-00996) COL-00996 > (COL-00996) x > (COL-00996) x > (COL-00996) x > (COL-00996) 2-(3-(4-chlorobenzyl)ureido)thiophene-3-carboxylic acid > (COL-00996) 1g > (COL-00996) 5g > (COL-00996) 10g > (COL-00996) POA > (COL-00996) POA > (COL-00996) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 16 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 12 15 2 0 0 0 0 M END > (COL-00997) COL-00997 > (COL-00997) x > (COL-00997) x > (COL-00997) 3-(3-(4-methylbenzyl)ureido)propanoic acid > (COL-00997) MFCD10011913 > (COL-00997) 1g > (COL-00997) 5g > (COL-00997) 10g > (COL-00997) POA > (COL-00997) POA > (COL-00997) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 18 1 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 14 1 0 0 0 0 4 3 1 0 0 0 0 14 17 2 0 0 0 0 M END > (COL-00998) COL-00998 > (COL-00998) x > (COL-00998) x > (COL-00998) 1-((3-(4-methylbenzyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-00998) 1g > (COL-00998) 5g > (COL-00998) 10g > (COL-00998) POA > (COL-00998) POA > (COL-00998) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 18 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 12 1 0 0 0 0 20 14 1 0 0 0 0 21 13 1 0 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 12 17 2 0 0 0 0 M END > (COL-00999) COL-00999 > (COL-00999) x > (COL-00999) x > (COL-00999) 1-((3-(4-methylbenzyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-00999) 1g > (COL-00999) 5g > (COL-00999) 10g > (COL-00999) POA > (COL-00999) POA > (COL-00999) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 16 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 12 15 2 0 0 0 0 M END > (COL-01000) COL-01000 > (COL-01000) x > (COL-01000) x > (COL-01000) 2-((3-(4-methylbenzyl)ureido)oxy)acetic acid > (COL-01000) 1g > (COL-01000) 5g > (COL-01000) 10g > (COL-01000) POA > (COL-01000) POA > (COL-01000) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 16 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 5 1 0 0 0 0 18 12 1 0 0 0 0 12 15 2 0 0 0 0 M END > (COL-01001) COL-01001 > (COL-01001) x > (COL-01001) x > (COL-01001) x > (COL-01001) 2-(1-methyl-2-((4-methylbenzyl)carbamoyl)hydrazinyl)acetic acid > (COL-01001) 1g > (COL-01001) 5g > (COL-01001) 10g > (COL-01001) POA > (COL-01001) POA > (COL-01001) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 19 2 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 8 7 2 0 0 0 0 18 15 1 0 0 0 0 M END > (COL-01002) COL-01002 > (COL-01002) x > (COL-01002) x > (COL-01002) 3-(3-(4-methylbenzyl)ureido)thiophene-2-carboxylic acid > (COL-01002) 1g > (COL-01002) 5g > (COL-01002) 10g > (COL-01002) POA > (COL-01002) POA > (COL-01002) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 19 2 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 7 8 2 0 0 0 0 18 15 1 0 0 0 0 M END > (COL-01003) COL-01003 > (COL-01003) x > (COL-01003) x > (COL-01003) 2-(3-(4-methylbenzyl)ureido)thiophene-3-carboxylic acid > (COL-01003) 1g > (COL-01003) 5g > (COL-01003) 10g > (COL-01003) POA > (COL-01003) POA > (COL-01003) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 4 14 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 16 1 0 0 0 0 10 1 2 0 0 0 0 11 15 1 0 0 0 0 12 1 1 0 0 0 0 13 3 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 12 1 0 0 0 0 17 7 1 0 0 0 0 18 3 1 0 0 0 0 19 15 2 0 0 0 0 2 4 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-01004) COL-01004 > (COL-01004) x > (COL-01004) x > (COL-01004) 3-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)propanoic acid > (COL-01004) MFCD10011921 > (COL-01004) 1g > (COL-01004) 5g > (COL-01004) 10g > (COL-01004) POA > (COL-01004) POA > (COL-01004) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 15 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 17 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 5 2 0 0 0 0 15 18 1 0 0 0 0 16 2 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 2 1 0 0 0 0 20 11 1 0 0 0 0 21 18 2 0 0 0 0 4 3 1 0 0 0 0 6 9 1 0 0 0 0 13 12 1 0 0 0 0 M END > (COL-01005) COL-01005 > (COL-01005) x > (COL-01005) x > (COL-01005) 1-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01005) 1g > (COL-01005) 5g > (COL-01005) 10g > (COL-01005) POA > (COL-01005) POA > (COL-01005) POA $$$$ -ISIS- 02091117132D 24 26 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 6 15 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 3 2 0 0 0 0 13 16 1 0 0 0 0 14 2 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 2 1 0 0 0 0 18 9 1 0 0 0 0 19 16 2 0 0 0 0 20 1 1 0 0 0 0 21 1 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 24 23 1 0 0 0 0 4 6 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-01006) COL-01006 > (COL-01006) x > (COL-01006) x > (COL-01006) 1-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01006) 1g > (COL-01006) 5g > (COL-01006) 10g > (COL-01006) POA > (COL-01006) POA > (COL-01006) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 4 15 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 14 1 0 0 0 0 10 1 2 0 0 0 0 11 16 1 0 0 0 0 12 1 1 0 0 0 0 13 3 2 0 0 0 0 14 12 1 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 18 3 1 0 0 0 0 19 16 2 0 0 0 0 2 4 1 0 0 0 0 8 6 1 0 0 0 0 M END > (COL-01007) COL-01007 > (COL-01007) x > (COL-01007) x > (COL-01007) 2-((3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)oxy)acetic acid > (COL-01007) 1g > (COL-01007) 5g > (COL-01007) 10g > (COL-01007) POA > (COL-01007) POA > (COL-01007) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 13 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 15 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 1 2 0 0 0 0 13 16 1 0 0 0 0 14 5 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 6 1 0 0 0 0 3 7 1 0 0 0 0 11 10 1 0 0 0 0 M END > (COL-01008) COL-01008 > (COL-01008) x > (COL-01008) x > (COL-01008) x > (COL-01008) 2-(2-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-01008) 1g > (COL-01008) 5g > (COL-01008) 10g > (COL-01008) POA > (COL-01008) POA > (COL-01008) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 16 2 0 0 0 0 9 6 1 0 0 0 0 10 18 2 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 4 2 0 0 0 0 16 19 1 0 0 0 0 17 3 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 3 1 0 0 0 0 21 12 1 0 0 0 0 22 19 2 0 0 0 0 9 7 2 0 0 0 0 8 10 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-01009) COL-01009 > (COL-01009) x > (COL-01009) x > (COL-01009) 3-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)thiophene-2-carboxylic acid > (COL-01009) 1g > (COL-01009) 5g > (COL-01009) 10g > (COL-01009) POA > (COL-01009) POA > (COL-01009) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2375 -12.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 16 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 18 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 4 2 0 0 0 0 16 19 1 0 0 0 0 17 5 2 0 0 0 0 18 22 1 0 0 0 0 19 21 1 0 0 0 0 20 5 1 0 0 0 0 21 12 1 0 0 0 0 22 19 2 0 0 0 0 8 9 2 0 0 0 0 7 10 1 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-01010) COL-01010 > (COL-01010) x > (COL-01010) x > (COL-01010) 2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)ureido)thiophene-3-carboxylic acid > (COL-01010) 1g > (COL-01010) 5g > (COL-01010) 10g > (COL-01010) POA > (COL-01010) POA > (COL-01010) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 13 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 14 6 1 0 0 0 0 M END > (COL-01011) COL-01011 > (COL-01011) x > (COL-01011) x > (COL-01011) 3-(3-(pyridin-4-ylmethyl)ureido)propanoic acid > (COL-01011) MFCD14596090 > (COL-01011) 1g > (COL-01011) 5g > (COL-01011) 10g > (COL-01011) POA > (COL-01011) POA > (COL-01011) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 15 2 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 14 2 0 0 0 0 4 3 1 0 0 0 0 16 11 1 0 0 0 0 M END > (COL-01012) COL-01012 > (COL-01012) x > (COL-01012) x > (COL-01012) 1-((3-(pyridin-4-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01012) 1g > (COL-01012) 5g > (COL-01012) 10g > (COL-01012) POA > (COL-01012) POA > (COL-01012) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 15 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 19 1 0 0 0 0 21 20 1 0 0 0 0 16 9 1 0 0 0 0 M END > (COL-01013) COL-01013 > (COL-01013) x > (COL-01013) x > (COL-01013) 1-((3-(pyridin-4-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01013) 1g > (COL-01013) 5g > (COL-01013) 10g > (COL-01013) POA > (COL-01013) POA > (COL-01013) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 14 7 1 0 0 0 0 M END > (COL-01014) COL-01014 > (COL-01014) x > (COL-01014) x > (COL-01014) 2-((3-(pyridin-4-ylmethyl)ureido)oxy)acetic acid > (COL-01014) 1g > (COL-01014) 5g > (COL-01014) 10g > (COL-01014) POA > (COL-01014) POA > (COL-01014) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 14 1 0 0 0 0 9 4 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 15 5 1 0 0 0 0 16 12 2 0 0 0 0 17 12 1 0 0 0 0 8 13 2 0 0 0 0 M END > (COL-01015) COL-01015 > (COL-01015) x > (COL-01015) x > (COL-01015) x > (COL-01015) 2-(1-methyl-2-((pyridin-4-ylmethyl)carbamoyl)hydrazinyl)acetic acid > (COL-01015) 1g > (COL-01015) 5g > (COL-01015) 10g > (COL-01015) POA > (COL-01015) POA > (COL-01015) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 3 2 0 0 0 0 12 16 1 0 0 0 0 13 3 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 8 7 2 0 0 0 0 12 17 2 0 0 0 0 M END > (COL-01016) COL-01016 > (COL-01016) x > (COL-01016) x > (COL-01016) 3-(3-(pyridin-4-ylmethyl)ureido)thiophene-2-carboxylic acid > (COL-01016) 1g > (COL-01016) 5g > (COL-01016) 10g > (COL-01016) POA > (COL-01016) POA > (COL-01016) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 16 1 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 14 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 7 8 2 0 0 0 0 12 17 2 0 0 0 0 M END > (COL-01017) COL-01017 > (COL-01017) x > (COL-01017) x > (COL-01017) 2-(3-(pyridin-4-ylmethyl)ureido)thiophene-3-carboxylic acid > (COL-01017) 1g > (COL-01017) 5g > (COL-01017) 10g > (COL-01017) POA > (COL-01017) POA > (COL-01017) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 14 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 9 1 0 0 0 0 11 1 1 0 0 0 0 12 4 2 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 7 10 2 0 0 0 0 M END > (COL-01018) COL-01018 > (COL-01018) x > (COL-01018) x > (COL-01018) 3-(3-(thiophen-2-ylmethyl)ureido)propanoic acid > (COL-01018) MFCD09741771 > (COL-01018) 1g > (COL-01018) 5g > (COL-01018) 10g > (COL-01018) POA > (COL-01018) POA > (COL-01018) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 16 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 13 2 2 0 0 0 0 14 8 2 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 2 1 0 0 0 0 4 3 1 0 0 0 0 11 15 2 0 0 0 0 M END > (COL-01019) COL-01019 > (COL-01019) x > (COL-01019) x > (COL-01019) 1-((3-(thiophen-2-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01019) 1g > (COL-01019) 5g > (COL-01019) 10g > (COL-01019) POA > (COL-01019) POA > (COL-01019) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 3 2 0 0 0 0 11 2 2 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 2 1 0 0 0 0 16 1 1 0 0 0 0 17 1 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 20 19 1 0 0 0 0 9 13 2 0 0 0 0 M END > (COL-01020) COL-01020 > (COL-01020) x > (COL-01020) x > (COL-01020) 1-((3-(thiophen-2-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01020) 1g > (COL-01020) 5g > (COL-01020) 10g > (COL-01020) POA > (COL-01020) POA > (COL-01020) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 14 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 13 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 1 1 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 4 1 0 0 0 0 7 11 2 0 0 0 0 M END > (COL-01021) COL-01021 > (COL-01021) x > (COL-01021) x > (COL-01021) 2-((3-(thiophen-2-ylmethyl)ureido)oxy)acetic acid > (COL-01021) 1g > (COL-01021) 5g > (COL-01021) 10g > (COL-01021) POA > (COL-01021) POA > (COL-01021) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 14 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 1 2 0 0 0 0 11 6 2 0 0 0 0 12 11 1 0 0 0 0 13 4 2 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 9 12 2 0 0 0 0 M END > (COL-01022) COL-01022 > (COL-01022) x > (COL-01022) x > (COL-01022) x > (COL-01022) 2-(1-methyl-2-((thiophen-2-ylmethyl)carbamoyl)hydrazinyl)acetic acid > (COL-01022) 1g > (COL-01022) 5g > (COL-01022) 10g > (COL-01022) POA > (COL-01022) POA > (COL-01022) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 9 1 0 0 0 0 14 3 2 0 0 0 0 15 10 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 3 1 0 0 0 0 8 7 2 0 0 0 0 13 16 2 0 0 0 0 M END > (COL-01023) COL-01023 > (COL-01023) x > (COL-01023) x > (COL-01023) 3-(3-(thiophen-2-ylmethyl)ureido)thiophene-2-carboxylic acid > (COL-01023) 1g > (COL-01023) 5g > (COL-01023) 10g > (COL-01023) POA > (COL-01023) POA > (COL-01023) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -13.9667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9167 -12.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 17 1 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 5 2 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 5 1 0 0 0 0 7 10 2 0 0 0 0 13 16 2 0 0 0 0 M END > (COL-01024) COL-01024 > (COL-01024) x > (COL-01024) x > (COL-01024) 2-(3-(thiophen-2-ylmethyl)ureido)thiophene-3-carboxylic acid > (COL-01024) 1g > (COL-01024) 5g > (COL-01024) 10g > (COL-01024) POA > (COL-01024) POA > (COL-01024) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 17 16 2 0 0 0 0 M END > (COL-01025) COL-01025 > (COL-01025) x > (COL-01025) x > (COL-01025) 3-(3-phenethylureido)propanoic acid > (COL-01025) MFCD10011923 > (COL-01025) 1g > (COL-01025) 5g > (COL-01025) 10g > (COL-01025) POA > (COL-01025) POA > (COL-01025) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 4 3 1 0 0 0 0 19 18 2 0 0 0 0 M END > (COL-01026) COL-01026 > (COL-01026) x > (COL-01026) x > (COL-01026) 1-((3-phenethylureido)methyl)cyclopropanecarboxylic acid > (COL-01026) 1g > (COL-01026) 5g > (COL-01026) 10g > (COL-01026) POA > (COL-01026) POA > (COL-01026) POA $$$$ -ISIS- 02091117132D 22 23 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 14 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 17 1 0 0 0 0 22 18 1 0 0 0 0 21 20 2 0 0 0 0 M END > (COL-01027) COL-01027 > (COL-01027) x > (COL-01027) x > (COL-01027) 1-((3-phenethylureido)methyl)cyclohexanecarboxylic acid > (COL-01027) 1g > (COL-01027) 5g > (COL-01027) 10g > (COL-01027) POA > (COL-01027) POA > (COL-01027) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 17 16 2 0 0 0 0 M END > (COL-01028) COL-01028 > (COL-01028) x > (COL-01028) x > (COL-01028) 2-((3-phenethylureido)oxy)acetic acid > (COL-01028) 1g > (COL-01028) 5g > (COL-01028) 10g > (COL-01028) POA > (COL-01028) POA > (COL-01028) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 13 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 11 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 18 17 1 0 0 0 0 M END > (COL-01029) COL-01029 > (COL-01029) x > (COL-01029) x > (COL-01029) x > (COL-01029) 2-(1-methyl-2-(phenethylcarbamoyl)hydrazinyl)acetic acid > (COL-01029) 1g > (COL-01029) 5g > (COL-01029) 10g > (COL-01029) POA > (COL-01029) POA > (COL-01029) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 20 18 2 0 0 0 0 8 7 2 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-01030) COL-01030 > (COL-01030) x > (COL-01030) x > (COL-01030) 3-(3-phenethylureido)thiophene-2-carboxylic acid > (COL-01030) 1g > (COL-01030) 5g > (COL-01030) 10g > (COL-01030) POA > (COL-01030) POA > (COL-01030) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 19 16 2 0 0 0 0 20 18 2 0 0 0 0 7 8 2 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-01031) COL-01031 > (COL-01031) x > (COL-01031) x > (COL-01031) 2-(3-phenethylureido)thiophene-3-carboxylic acid > (COL-01031) 1g > (COL-01031) 5g > (COL-01031) 10g > (COL-01031) POA > (COL-01031) POA > (COL-01031) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 12 1 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 9 1 0 0 0 0 13 2 1 0 0 0 0 14 15 1 0 0 0 0 15 7 2 0 0 0 0 16 4 1 0 0 0 0 17 14 2 0 0 0 0 18 11 1 0 0 0 0 19 16 2 0 0 0 0 20 19 1 0 0 0 0 11 17 1 0 0 0 0 20 18 2 0 0 0 0 M END > (COL-01032) COL-01032 > (COL-01032) x > (COL-01032) x > (COL-01032) 3-(3-(naphthalen-1-ylmethyl)ureido)propanoic acid > (COL-01032) 1g > (COL-01032) 5g > (COL-01032) 10g > (COL-01032) POA > (COL-01032) POA > (COL-01032) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 13 1 0 0 0 0 13 8 1 0 0 0 0 14 9 2 0 0 0 0 15 2 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 18 9 1 0 0 0 0 19 16 2 0 0 0 0 20 14 1 0 0 0 0 21 18 2 0 0 0 0 22 21 1 0 0 0 0 4 3 1 0 0 0 0 14 19 1 0 0 0 0 22 20 2 0 0 0 0 M END > (COL-01033) COL-01033 > (COL-01033) x > (COL-01033) x > (COL-01033) 1-((3-(naphthalen-1-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01033) 1g > (COL-01033) 5g > (COL-01033) 10g > (COL-01033) POA > (COL-01033) POA > (COL-01033) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 3 2 0 0 0 0 9 11 1 0 0 0 0 10 2 2 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 17 1 0 0 0 0 17 9 2 0 0 0 0 18 7 1 0 0 0 0 19 16 2 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 14 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 21 1 0 0 0 0 25 22 1 0 0 0 0 12 19 1 0 0 0 0 24 20 2 0 0 0 0 M END > (COL-01034) COL-01034 > (COL-01034) x > (COL-01034) x > (COL-01034) 1-((3-(naphthalen-1-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01034) 1g > (COL-01034) 5g > (COL-01034) 10g > (COL-01034) POA > (COL-01034) POA > (COL-01034) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 2 2 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 2 1 0 0 0 0 14 15 1 0 0 0 0 15 7 2 0 0 0 0 16 4 1 0 0 0 0 17 14 2 0 0 0 0 18 12 1 0 0 0 0 19 16 2 0 0 0 0 20 19 1 0 0 0 0 12 17 1 0 0 0 0 20 18 2 0 0 0 0 M END > (COL-01035) COL-01035 > (COL-01035) x > (COL-01035) x > (COL-01035) 2-((3-(naphthalen-1-ylmethyl)ureido)oxy)acetic acid > (COL-01035) 1g > (COL-01035) 5g > (COL-01035) 10g > (COL-01035) POA > (COL-01035) POA > (COL-01035) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 1 2 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 14 15 1 0 0 0 0 15 9 2 0 0 0 0 16 5 1 0 0 0 0 17 7 1 0 0 0 0 18 14 2 0 0 0 0 19 12 1 0 0 0 0 20 17 2 0 0 0 0 21 20 1 0 0 0 0 12 18 1 0 0 0 0 21 19 2 0 0 0 0 M END > (COL-01036) COL-01036 > (COL-01036) x > (COL-01036) x > (COL-01036) x > (COL-01036) 2-(1-methyl-2-((naphthalen-1-ylmethyl)carbamoyl)hydrazinyl)acetic acid > (COL-01036) 1g > (COL-01036) 5g > (COL-01036) 10g > (COL-01036) POA > (COL-01036) POA > (COL-01036) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 3 1 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 17 2 0 0 0 0 21 15 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 8 7 2 0 0 0 0 15 20 1 0 0 0 0 23 21 2 0 0 0 0 M END > (COL-01037) COL-01037 > (COL-01037) x > (COL-01037) x > (COL-01037) 3-(3-(naphthalen-1-ylmethyl)ureido)thiophene-2-carboxylic acid > (COL-01037) 1g > (COL-01037) 5g > (COL-01037) 10g > (COL-01037) POA > (COL-01037) POA > (COL-01037) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 18 1 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 17 2 0 0 0 0 21 15 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 7 8 2 0 0 0 0 15 20 1 0 0 0 0 23 21 2 0 0 0 0 M END > (COL-01038) COL-01038 > (COL-01038) x > (COL-01038) x > (COL-01038) 2-(3-(naphthalen-1-ylmethyl)ureido)thiophene-3-carboxylic acid > (COL-01038) 1g > (COL-01038) 5g > (COL-01038) 10g > (COL-01038) POA > (COL-01038) POA > (COL-01038) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 7 2 0 0 0 0 5 13 1 0 0 0 0 6 1 2 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 11 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 8 1 0 0 0 0 14 3 1 0 0 0 0 15 2 1 0 0 0 0 16 12 2 0 0 0 0 17 4 1 0 0 0 0 18 10 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 4 10 1 0 0 0 0 19 20 1 0 0 0 0 M END > (COL-01039) COL-01039 > (COL-01039) x > (COL-01039) x > (COL-01039) 3-(3-(naphthalen-2-ylmethyl)ureido)propanoic acid > (COL-01039) 1g > (COL-01039) 5g > (COL-01039) 10g > (COL-01039) POA > (COL-01039) POA > (COL-01039) POA $$$$ -ISIS- 02091117132D 22 24 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 12 2 0 0 0 0 10 5 2 0 0 0 0 11 2 2 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 16 2 1 0 0 0 0 17 8 1 0 0 0 0 18 15 2 0 0 0 0 19 9 1 0 0 0 0 20 13 1 0 0 0 0 21 19 2 0 0 0 0 22 20 2 0 0 0 0 4 3 1 0 0 0 0 9 13 1 0 0 0 0 21 22 1 0 0 0 0 M END > (COL-01040) COL-01040 > (COL-01040) x > (COL-01040) x > (COL-01040) 1-((3-(naphthalen-2-ylmethyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01040) 1g > (COL-01040) 5g > (COL-01040) 10g > (COL-01040) POA > (COL-01040) POA > (COL-01040) POA $$$$ -ISIS- 02091117132D 25 27 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 13 2 0 0 0 0 17 1 1 0 0 0 0 18 1 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 17 1 0 0 0 0 23 19 2 0 0 0 0 24 20 2 0 0 0 0 25 21 1 0 0 0 0 25 22 1 0 0 0 0 7 11 1 0 0 0 0 23 24 1 0 0 0 0 M END > (COL-01041) COL-01041 > (COL-01041) x > (COL-01041) x > (COL-01041) 1-((3-(naphthalen-2-ylmethyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01041) 1g > (COL-01041) 5g > (COL-01041) 10g > (COL-01041) POA > (COL-01041) POA > (COL-01041) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 13 1 0 0 0 0 9 2 2 0 0 0 0 10 7 1 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 3 1 0 0 0 0 15 2 1 0 0 0 0 16 13 2 0 0 0 0 17 5 1 0 0 0 0 18 11 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 5 11 1 0 0 0 0 19 20 1 0 0 0 0 M END > (COL-01042) COL-01042 > (COL-01042) x > (COL-01042) x > (COL-01042) 2-((3-(naphthalen-2-ylmethyl)ureido)oxy)acetic acid > (COL-01042) 1g > (COL-01042) 5g > (COL-01042) 10g > (COL-01042) POA > (COL-01042) POA > (COL-01042) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 9 2 0 0 0 0 8 1 2 0 0 0 0 9 13 1 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 6 1 0 0 0 0 15 4 1 0 0 0 0 16 13 2 0 0 0 0 17 5 1 0 0 0 0 18 7 1 0 0 0 0 19 11 1 0 0 0 0 20 18 2 0 0 0 0 21 19 2 0 0 0 0 7 11 1 0 0 0 0 20 21 1 0 0 0 0 M END > (COL-01043) COL-01043 > (COL-01043) x > (COL-01043) x > (COL-01043) x > (COL-01043) 2-(1-methyl-2-((naphthalen-2-ylmethyl)carbamoyl)hydrazinyl)acetic acid > (COL-01043) 1g > (COL-01043) 5g > (COL-01043) 10g > (COL-01043) POA > (COL-01043) POA > (COL-01043) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 13 2 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 3 1 0 0 0 0 18 9 1 0 0 0 0 19 16 2 0 0 0 0 20 10 1 0 0 0 0 21 14 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 8 7 2 0 0 0 0 10 14 1 0 0 0 0 22 23 1 0 0 0 0 M END > (COL-01044) COL-01044 > (COL-01044) x > (COL-01044) x > (COL-01044) 3-(3-(naphthalen-2-ylmethyl)ureido)thiophene-2-carboxylic acid > (COL-01044) 1g > (COL-01044) 5g > (COL-01044) 10g > (COL-01044) POA > (COL-01044) POA > (COL-01044) POA $$$$ -ISIS- 02091117132D 23 25 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 13 2 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 5 1 0 0 0 0 18 9 1 0 0 0 0 19 16 2 0 0 0 0 20 10 1 0 0 0 0 21 14 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 7 8 2 0 0 0 0 10 14 1 0 0 0 0 22 23 1 0 0 0 0 M END > (COL-01045) COL-01045 > (COL-01045) x > (COL-01045) x > (COL-01045) 2-(3-(naphthalen-2-ylmethyl)ureido)thiophene-3-carboxylic acid > (COL-01045) 1g > (COL-01045) 5g > (COL-01045) 10g > (COL-01045) POA > (COL-01045) POA > (COL-01045) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 14 1 0 0 0 0 4 11 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 24 22 2 0 0 0 0 23 20 2 0 0 0 0 M END > (COL-01046) COL-01046 > (COL-01046) x > (COL-01046) x > (COL-01046) 3-(3-(3,3-diphenylpropyl)ureido)propanoic acid > (COL-01046) 1g > (COL-01046) 5g > (COL-01046) 10g > (COL-01046) POA > (COL-01046) POA > (COL-01046) POA $$$$ -ISIS- 02091117132D 26 28 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 16 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 13 2 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 12 1 0 0 0 0 21 18 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 23 1 0 0 0 0 4 3 1 0 0 0 0 25 24 2 0 0 0 0 26 22 2 0 0 0 0 M END > (COL-01047) COL-01047 > (COL-01047) x > (COL-01047) x > (COL-01047) 1-((3-(3,3-diphenylpropyl)ureido)methyl)cyclopropanecarboxylic acid > (COL-01047) 1g > (COL-01047) 5g > (COL-01047) 10g > (COL-01047) POA > (COL-01047) POA > (COL-01047) POA $$$$ -ISIS- 02091117132D 29 31 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 16 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 2 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 9 1 0 0 0 0 16 15 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 10 2 0 0 0 0 20 10 1 0 0 0 0 21 14 1 0 0 0 0 22 13 1 0 0 0 0 23 20 2 0 0 0 0 24 17 1 0 0 0 0 25 18 2 0 0 0 0 26 19 1 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 23 1 0 0 0 0 27 22 1 0 0 0 0 28 24 2 0 0 0 0 29 26 2 0 0 0 0 M END > (COL-01048) COL-01048 > (COL-01048) x > (COL-01048) x > (COL-01048) 1-((3-(3,3-diphenylpropyl)ureido)methyl)cyclohexanecarboxylic acid > (COL-01048) 1g > (COL-01048) 5g > (COL-01048) 10g > (COL-01048) POA > (COL-01048) POA > (COL-01048) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 9 1 0 0 0 0 4 14 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 23 20 2 0 0 0 0 24 22 2 0 0 0 0 M END > (COL-01049) COL-01049 > (COL-01049) x > (COL-01049) x > (COL-01049) 2-((3-(3,3-diphenylpropyl)ureido)oxy)acetic acid > (COL-01049) 1g > (COL-01049) 5g > (COL-01049) 10g > (COL-01049) POA > (COL-01049) POA > (COL-01049) POA $$$$ -ISIS- 02091117132D 25 26 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 14 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 6 1 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 11 2 0 0 0 0 18 11 1 0 0 0 0 19 10 2 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 19 1 0 0 0 0 23 16 2 0 0 0 0 24 22 2 0 0 0 0 25 21 1 0 0 0 0 25 20 2 0 0 0 0 24 23 1 0 0 0 0 M END > (COL-01050) COL-01050 > (COL-01050) x > (COL-01050) x > (COL-01050) x > (COL-01050) 2-(2-((3,3-diphenylpropyl)carbamoyl)-1-methylhydrazinyl)acetic acid > (COL-01050) 1g > (COL-01050) 5g > (COL-01050) 10g > (COL-01050) POA > (COL-01050) POA > (COL-01050) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 3 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 13 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 18 2 0 0 0 0 26 23 1 0 0 0 0 27 24 2 0 0 0 0 8 7 2 0 0 0 0 26 22 2 0 0 0 0 27 25 1 0 0 0 0 M END > (COL-01051) COL-01051 > (COL-01051) x > (COL-01051) x > (COL-01051) 3-(3-(3,3-diphenylpropyl)ureido)thiophene-2-carboxylic acid > (COL-01051) 1g > (COL-01051) 5g > (COL-01051) 10g > (COL-01051) POA > (COL-01051) POA > (COL-01051) POA $$$$ -ISIS- 02091117132D 27 29 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -17.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 17 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 5 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 14 2 0 0 0 0 20 14 1 0 0 0 0 21 13 2 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 21 1 0 0 0 0 25 18 2 0 0 0 0 26 23 1 0 0 0 0 27 24 2 0 0 0 0 7 8 2 0 0 0 0 26 22 2 0 0 0 0 27 25 1 0 0 0 0 M END > (COL-01052) COL-01052 > (COL-01052) x > (COL-01052) x > (COL-01052) 2-(3-(3,3-diphenylpropyl)ureido)thiophene-3-carboxylic acid > (COL-01052) 1g > (COL-01052) 5g > (COL-01052) 10g > (COL-01052) POA > (COL-01052) POA > (COL-01052) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-01053) COL-01053 > (COL-01053) x > (COL-01053) x > (COL-01053) 3-((isopropoxycarbonyl)amino)propanoic acid > (COL-01053) MFCD16102893 > (COL-01053) 1g > (COL-01053) 5g > (COL-01053) 10g > (COL-01053) POA > (COL-01053) POA > (COL-01053) POA $$$$ -ISIS- 02091117132D 14 14 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-01054) COL-01054 > (COL-01054) x > (COL-01054) x > (COL-01054) 1-(((isopropoxycarbonyl)amino)methyl)cyclopropanecarboxylic acid > (COL-01054) 1g > (COL-01054) 5g > (COL-01054) 10g > (COL-01054) POA > (COL-01054) POA > (COL-01054) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 10 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-01055) COL-01055 > (COL-01055) x > (COL-01055) x > (COL-01055) 1-(((isopropoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid > (COL-01055) 1g > (COL-01055) 5g > (COL-01055) 10g > (COL-01055) POA > (COL-01055) POA > (COL-01055) POA $$$$ -ISIS- 02091117132D 12 11 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 M END > (COL-01056) COL-01056 > (COL-01056) x > (COL-01056) x > (COL-01056) 2-(((isopropoxycarbonyl)amino)oxy)acetic acid > (COL-01056) 1g > (COL-01056) 5g > (COL-01056) 10g > (COL-01056) POA > (COL-01056) POA > (COL-01056) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 10 1 0 0 0 0 M END > (COL-01057) COL-01057 > (COL-01057) x > (COL-01057) x > (COL-01057) x > (COL-01057) 2-(2-(isopropoxycarbonyl)-1-methylhydrazinyl)acetic acid > (COL-01057) 1g > (COL-01057) 5g > (COL-01057) 10g > (COL-01057) POA > (COL-01057) POA > (COL-01057) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-01058) COL-01058 > (COL-01058) x > (COL-01058) x > (COL-01058) 3-((isopropoxycarbonyl)amino)thiophene-2-carboxylic acid > (COL-01058) MFCD16102914 > (COL-01058) 1g > (COL-01058) 5g > (COL-01058) 10g > (COL-01058) POA > (COL-01058) POA > (COL-01058) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-01059) COL-01059 > (COL-01059) x > (COL-01059) x > (COL-01059) 2-((isopropoxycarbonyl)amino)thiophene-3-carboxylic acid > (COL-01059) MFCD16102910 > (COL-01059) 1g > (COL-01059) 5g > (COL-01059) 10g > (COL-01059) POA > (COL-01059) POA > (COL-01059) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-01060) COL-01060 > (COL-01060) x > (COL-01060) x > (COL-01060) 3-((isobutoxycarbonyl)amino)propanoic acid > (COL-01060) MFCD01014086 > (COL-01060) 1g > (COL-01060) 5g > (COL-01060) 10g > (COL-01060) POA > (COL-01060) POA > (COL-01060) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 1 0 0 0 0 4 3 1 0 0 0 0 M END > (COL-01061) COL-01061 > (COL-01061) x > (COL-01061) x > (COL-01061) 1-(((isobutoxycarbonyl)amino)methyl)cyclopropanecarboxylic acid > (COL-01061) 1g > (COL-01061) 5g > (COL-01061) 10g > (COL-01061) POA > (COL-01061) POA > (COL-01061) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 18 15 1 0 0 0 0 M END > (COL-01062) COL-01062 > (COL-01062) x > (COL-01062) x > (COL-01062) 1-(((isobutoxycarbonyl)amino)methyl)cyclohexanecarboxylic acid > (COL-01062) 1g > (COL-01062) 5g > (COL-01062) 10g > (COL-01062) POA > (COL-01062) POA > (COL-01062) POA $$$$ -ISIS- 02091117132D 13 12 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 M END > (COL-01063) COL-01063 > (COL-01063) x > (COL-01063) x > (COL-01063) 2-(((isobutoxycarbonyl)amino)oxy)acetic acid > (COL-01063) 1g > (COL-01063) 5g > (COL-01063) 10g > (COL-01063) POA > (COL-01063) POA > (COL-01063) POA $$$$ -ISIS- 02091117132D 14 13 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 M END > (COL-01064) COL-01064 > (COL-01064) x > (COL-01064) x > (COL-01064) x > (COL-01064) 2-(2-(isobutoxycarbonyl)-1-methylhydrazinyl)acetic acid > (COL-01064) 1g > (COL-01064) 5g > (COL-01064) 10g > (COL-01064) POA > (COL-01064) POA > (COL-01064) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 8 7 2 0 0 0 0 M END > (COL-01065) COL-01065 > (COL-01065) x > (COL-01065) x > (COL-01065) 3-((isobutoxycarbonyl)amino)thiophene-2-carboxylic acid > (COL-01065) MFCD11129011 > (COL-01065) 1g > (COL-01065) 5g > (COL-01065) 10g > (COL-01065) POA > (COL-01065) POA > (COL-01065) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 7 8 2 0 0 0 0 M END > (COL-01066) COL-01066 > (COL-01066) x > (COL-01066) x > (COL-01066) 2-((isobutoxycarbonyl)amino)thiophene-3-carboxylic acid > (COL-01066) MFCD11129005 > (COL-01066) 1g > (COL-01066) 5g > (COL-01066) 10g > (COL-01066) POA > (COL-01066) POA > (COL-01066) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-01067) COL-01067 > (COL-01067) x > (COL-01067) x > (COL-01067) 3-(((benzyloxy)carbonyl)amino)propanoic acid > (COL-01067) 2304-94-1 > (COL-01067) MFCD00037292 > (COL-01067) 1g > (COL-01067) 5g > (COL-01067) 10g > (COL-01067) POA > (COL-01067) POA > (COL-01067) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 4 3 1 0 0 0 0 18 16 1 0 0 0 0 M END > (COL-01068) COL-01068 > (COL-01068) x > (COL-01068) x > (COL-01068) 1-((((benzyloxy)carbonyl)amino)methyl)cyclopropanecarboxylic acid > (COL-01068) 1g > (COL-01068) 5g > (COL-01068) 10g > (COL-01068) POA > (COL-01068) POA > (COL-01068) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 19 2 0 0 0 0 21 16 1 0 0 0 0 21 17 1 0 0 0 0 20 18 1 0 0 0 0 M END > (COL-01069) COL-01069 > (COL-01069) x > (COL-01069) x > (COL-01069) 1-((((benzyloxy)carbonyl)amino)methyl)cyclohexanecarboxylic acid > (COL-01069) 1g > (COL-01069) 5g > (COL-01069) 10g > (COL-01069) POA > (COL-01069) POA > (COL-01069) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 8 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-01070) COL-01070 > (COL-01070) x > (COL-01070) x > (COL-01070) 2-((((benzyloxy)carbonyl)amino)oxy)acetic acid > (COL-01070) 1g > (COL-01070) 5g > (COL-01070) 10g > (COL-01070) POA > (COL-01070) POA > (COL-01070) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 17 15 2 0 0 0 0 M END > (COL-01071) COL-01071 > (COL-01071) x > (COL-01071) x > (COL-01071) x > (COL-01071) 2-(2-((benzyloxy)carbonyl)-1-methylhydrazinyl)acetic acid > (COL-01071) 1g > (COL-01071) 5g > (COL-01071) 10g > (COL-01071) POA > (COL-01071) POA > (COL-01071) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 8 7 2 0 0 0 0 19 17 2 0 0 0 0 M END > (COL-01072) COL-01072 > (COL-01072) x > (COL-01072) x > (COL-01072) 3-(((benzyloxy)carbonyl)amino)thiophene-2-carboxylic acid > (COL-01072) 1g > (COL-01072) 5g > (COL-01072) 10g > (COL-01072) POA > (COL-01072) POA > (COL-01072) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1625 -12.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 7 8 2 0 0 0 0 19 17 2 0 0 0 0 M END > (COL-01073) COL-01073 > (COL-01073) x > (COL-01073) x > (COL-01073) 2-(((benzyloxy)carbonyl)amino)thiophene-3-carboxylic acid > (COL-01073) 1g > (COL-01073) 5g > (COL-01073) 10g > (COL-01073) POA > (COL-01073) POA > (COL-01073) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 2 2 0 0 0 0 9 5 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 M END > (COL-01074) COL-01074 > (COL-01074) x > (COL-01074) x > (COL-01074) 3-(phenylmethylsulfonamido)propanoic acid > (COL-01074) MFCD09045492 > (COL-01074) 1g > (COL-01074) 5g > (COL-01074) 10g > (COL-01074) POA > (COL-01074) POA > (COL-01074) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3917 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4167 -12.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 5 4 1 0 0 0 0 18 17 2 0 0 0 0 M END > (COL-01075) COL-01075 > (COL-01075) x > (COL-01075) x > (COL-01075) 1-((phenylmethylsulfonamido)methyl)cyclopropanecarboxylic acid > (COL-01075) 1g > (COL-01075) 5g > (COL-01075) 10g > (COL-01075) POA > (COL-01075) POA > (COL-01075) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -12.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 11 1 0 0 0 0 18 15 2 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 16 1 0 0 0 0 20 19 2 0 0 0 0 21 17 1 0 0 0 0 M END > (COL-01076) COL-01076 > (COL-01076) x > (COL-01076) x > (COL-01076) 1-((phenylmethylsulfonamido)methyl)cyclohexanecarboxylic acid > (COL-01076) 1g > (COL-01076) 5g > (COL-01076) 10g > (COL-01076) POA > (COL-01076) POA > (COL-01076) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 M END > (COL-01077) COL-01077 > (COL-01077) x > (COL-01077) x > (COL-01077) 2-((phenylmethylsulfonamido)oxy)acetic acid > (COL-01077) 1g > (COL-01077) 5g > (COL-01077) 10g > (COL-01077) POA > (COL-01077) POA > (COL-01077) POA $$$$ -ISIS- 02091117132D 17 17 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 20.7500 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7500 -15.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5917 -13.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 17 16 1 0 0 0 0 M END > (COL-01078) COL-01078 > (COL-01078) x > (COL-01078) x > (COL-01078) x > (COL-01078) 2-(2-(benzylsulfonyl)-1-methylhydrazinyl)acetic acid > (COL-01078) 1g > (COL-01078) 5g > (COL-01078) 10g > (COL-01078) POA > (COL-01078) POA > (COL-01078) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 1 1 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 6 8 1 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-01079) COL-01079 > (COL-01079) x > (COL-01079) x > (COL-01079) 3-(phenylmethylsulfonamido)thiophene-2-carboxylic acid > (COL-01079) MFCD09050385 > (COL-01079) 1g > (COL-01079) 5g > (COL-01079) 10g > (COL-01079) POA > (COL-01079) POA > (COL-01079) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 17.3750 -14.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 19.0625 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -13.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2167 -13.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2875 -12.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0625 -15.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 20.5542 -14.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0042 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7500 -14.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9875 -15.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5292 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6375 -12.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2417 -12.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -13.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -14.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 -15.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -15.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 5 2 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 7 10 2 0 0 0 0 19 18 1 0 0 0 0 M END > (COL-01080) COL-01080 > (COL-01080) x > (COL-01080) x > (COL-01080) 2-(phenylmethylsulfonamido)thiophene-3-carboxylic acid > (COL-01080) MFCD09048038 > (COL-01080) 1g > (COL-01080) 5g > (COL-01080) 10g > (COL-01080) POA > (COL-01080) POA > (COL-01080) POA $$$$ -ISIS- 02091117132D 8 8 0 0 0 0 0 0 0 0999 V2000 0.2800 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -1.1700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.1700 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.7800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 1.1700 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 6 3 2 0 0 0 0 M END > (COL-01081) COL-01081 > (COL-01081) x > (COL-01081) 4-Bromo-2-fluoropyridine > (COL-01081) 128071-98-7 > (COL-01081) MFCD04112504 > (COL-01081) 1g > (COL-01081) 5g > (COL-01081) $27.00 > (COL-01081) $120.00 $$$$ -ISIS- 02091117132D 7 7 0 0 0 0 0 0 0 0999 V2000 0.7517 -0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0345 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0345 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1966 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3897 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 M END > (COL-01082) COL-01082 > (COL-01082) x > (COL-01082) Tetrahydro-2H-pyran-4-ol > (COL-01082) 2081-44-9 > (COL-01082) MFCD00006633 > (COL-01082) 1g > (COL-01082) 5g > (COL-01082) $39.00 > (COL-01082) $88.00 $$$$ -ISIS- 02091117132D 15 10 0 0 0 0 0 0 0 0999 V2000 2.9500 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.6167 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -2.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -2.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2083 -3.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 -2.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 10 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 9 4 2 0 0 0 0 M END > (COL-01083) COL-01083 > (COL-01083) x > (COL-01083) x > (COL-01083) 3-Chloro-4-pyridineboronic acid pentahydrate > (COL-01083) MFCD06798221 > (COL-01083) 1g > (COL-01083) 5g > (COL-01083) 10g > (COL-01083) POA > (COL-01083) POA > (COL-01083) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 6.0750 4.2167 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0750 5.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 5.6542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2125 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 13 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 14 1 0 0 0 0 13 15 2 0 0 0 0 14 6 2 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 7 11 1 0 0 0 0 12 5 2 0 0 0 0 M CHG 2 2 1 8 -1 M END > (COL-01084) COL-01084 > (COL-01084) x > (COL-01084) 4-Nitrophenylboronic acid neopentylglycolester > (COL-01084) MFCD03701688 > (COL-01084) 1g > (COL-01084) 5g > (COL-01084) 10g > (COL-01084) POA > (COL-01084) POA > (COL-01084) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 7.2667 2.8000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.0542 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5667 4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 1 2 0 0 0 0 9 14 1 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 16 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 7 1 0 0 0 0 14 17 1 0 0 0 0 M END > (COL-01085) COL-01085 > (COL-01085) x > (COL-01085) x > (COL-01085) 3-(4-Acetylaminobenzenesulfonyl)propionic acid > (COL-01085) 300670-60-4 > (COL-01085) MFCD00222694 > (COL-01085) 1g > (COL-01085) 5g > (COL-01085) 10g > (COL-01085) POA > (COL-01085) POA > (COL-01085) POA $$$$ -ISIS- 02091117132D 13 13 0 0 0 0 0 0 0 0999 V2000 1.2042 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 13 1 0 0 0 0 9 8 2 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-01086) COL-01086 > (COL-01086) x > (COL-01086) 4-(4-Thioxo-[1,3,5]triazinan-1-yl)butyric acid > (COL-01086) MFCD00522223 > (COL-01086) 1g > (COL-01086) 5g > (COL-01086) 10g > (COL-01086) POA > (COL-01086) POA > (COL-01086) POA $$$$ -ISIS- 02091117132D 16 15 0 0 0 0 0 0 0 0999 V2000 7.2333 -1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2333 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5208 -2.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -1.3333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5208 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9583 -2.5833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3708 -1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6583 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 -2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -2.8458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 13 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 3 6 1 0 0 0 0 M END > (COL-01087) COL-01087 > (COL-01087) x > (COL-01087) 4-(4-Ethylsulfanyl-3,6-dihydro-2H-[1,3,5]triazin-1-yl)butyric acid hydrobromide > (COL-01087) MFCD00790881 > (COL-01087) 1g > (COL-01087) 5g > (COL-01087) 10g > (COL-01087) POA > (COL-01087) POA > (COL-01087) POA $$$$ -ISIS- 02091117132D 12 12 0 0 0 0 0 0 0 0999 V2000 0.9917 1.3583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1250 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 1.3750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 2.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 2.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 4 5 1 0 0 0 0 M END > (COL-01088) COL-01088 > (COL-01088) x > (COL-01088) x > (COL-01088) x > (COL-01088) 4-(2-Aminoethylamino)-1,1-dioxotetrahydro-1lambda-6-thiophen-3-ol > (COL-01088) MFCD00456621 > (COL-01088) 1g > (COL-01088) 5g > (COL-01088) 10g > (COL-01088) POA > (COL-01088) POA > (COL-01088) POA $$$$ -ISIS- 02091117132D 17 18 0 0 0 0 0 0 0 0999 V2000 4.8417 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 4.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 17 1 0 0 0 0 17 14 2 0 0 0 0 5 4 1 0 0 0 0 13 16 2 0 0 0 0 M END > (COL-01089) COL-01089 > (COL-01089) x > (COL-01089) 1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylic acid > (COL-01089) MFCD00634781 > (COL-01089) 1g > (COL-01089) 5g > (COL-01089) 10g > (COL-01089) POA > (COL-01089) POA > (COL-01089) POA $$$$ -ISIS- 02091117132D 20 19 0 0 0 0 0 0 0 0999 V2000 7.4958 -2.8333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.1333 -2.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -4.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -3.5500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1708 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -4.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.8458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 14 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 1 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 16 2 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 9 1 0 0 0 0 13 2 1 0 0 0 0 9 17 2 0 0 0 0 M END > (COL-01090) COL-01090 > (COL-01090) x > (COL-01090) 1-Piperazin-1-yl-3-m-tolyloxypropan-2-ol dihydrochloride > (COL-01090) MFCD06801213 > (COL-01090) 1g > (COL-01090) 5g > (COL-01090) 10g > (COL-01090) POA > (COL-01090) POA > (COL-01090) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 4.9667 5.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 3.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 2.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 5.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 6.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 2 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 7 1 0 0 0 0 15 12 1 0 0 0 0 16 15 1 0 0 0 0 3 5 1 0 0 0 0 13 8 2 0 0 0 0 M END > (COL-01091) COL-01091 > (COL-01091) x > (COL-01091) (5-Methoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetic acid > (COL-01091) MFCD00512063 > (COL-01091) 1g > (COL-01091) 5g > (COL-01091) 10g > (COL-01091) POA > (COL-01091) POA > (COL-01091) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 1.3792 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 2.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 1.8583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5375 0.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6750 1.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 2.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7542 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 7.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1542 5.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 3.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 15 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 M END > (COL-01092) COL-01092 > (COL-01092) x > (COL-01092) 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid > (COL-01092) MFCD00128981 > (COL-01092) 1g > (COL-01092) 5g > (COL-01092) 10g > (COL-01092) POA > (COL-01092) POA > (COL-01092) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 1.3917 2.6458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7417 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 2.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0750 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 3.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 3.4583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3250 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 2.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6750 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 11 8 1 0 0 0 0 M END > (COL-01093) COL-01093 > (COL-01093) x > (COL-01093) x > (COL-01093) 2-(1,1-Dioxo-tetrahydro-1lambda-6-thiophen-3-yl-amino)-3-methylbutyric acid > (COL-01093) MFCD00649166 > (COL-01093) 1g > (COL-01093) 5g > (COL-01093) 10g > (COL-01093) POA > (COL-01093) POA > (COL-01093) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 1.3417 2.9333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6917 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 3.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 2.4375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 3.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3417 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1125 1.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 3 2 0 0 0 0 11 9 1 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 11 8 1 0 0 0 0 M END > (COL-01094) COL-01094 > (COL-01094) x > (COL-01094) x > (COL-01094) 2-(1,1-Dioxo-tetrahydro-1lambda-6-thiophen-3-yl-amino)-4-methylsulfanylbutyric acid > (COL-01094) MFCD00649172 > (COL-01094) 1g > (COL-01094) 5g > (COL-01094) 10g > (COL-01094) POA > (COL-01094) POA > (COL-01094) POA $$$$ -ISIS- 02091117132D 20 22 0 0 0 0 0 0 0 0999 V2000 4.1500 3.5583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7625 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 3.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0542 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 2.4083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.2583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 4.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 2 2 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 10 2 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 5 1 0 0 0 0 20 17 1 0 0 0 0 20 19 1 0 0 0 0 15 7 1 0 0 0 0 8 9 1 0 0 0 0 M END > (COL-01095) COL-01095 > (COL-01095) x > (COL-01095) 1-(Benzo[1,2,5]thiadiazole-4-sulfonyl)-pyrrolidine-2-carboxylic acid > (COL-01095) MFCD00658796 > (COL-01095) 1g > (COL-01095) 5g > (COL-01095) 10g > (COL-01095) POA > (COL-01095) POA > (COL-01095) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 2.7875 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 3.3333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0625 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 3.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 4.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8875 7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6125 5.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5667 8.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8000 5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 6 2 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 2 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 14 17 1 0 0 0 0 15 14 2 0 0 0 0 16 14 1 0 0 0 0 17 19 1 0 0 0 0 18 11 1 0 0 0 0 19 21 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 13 6 1 0 0 0 0 5 7 1 0 0 0 0 M END > (COL-01096) COL-01096 > (COL-01096) x > (COL-01096) x > (COL-01096) 6-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-hexanoic acid > (COL-01096) MFCD00552963 > (COL-01096) 1g > (COL-01096) 5g > (COL-01096) 10g > (COL-01096) POA > (COL-01096) POA > (COL-01096) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 6.0542 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 4.2000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 6.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4792 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 8.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 6.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8375 3.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 18 1 0 0 0 0 14 6 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 4 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 9 5 1 0 0 0 0 20 14 2 0 0 0 0 M END > (COL-01097) COL-01097 > (COL-01097) x > (COL-01097) x > (COL-01097) 2-(3,3-Dimethyl-3,4-dihydro-isoquinolin-1-ylamino)-4-methylsulfanylbutyric acid > (COL-01097) 187884-93-1 > (COL-01097) MFCD00608485 > (COL-01097) 1g > (COL-01097) 5g > (COL-01097) 10g > (COL-01097) POA > (COL-01097) POA > (COL-01097) POA $$$$ -ISIS- 02091117132D 20 21 0 0 0 0 0 0 0 0999 V2000 6.3042 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 2.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4417 2.4708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9167 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1417 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 16 1 0 0 0 0 16 7 2 0 0 0 0 17 15 2 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 20 14 1 0 0 0 0 17 11 1 0 0 0 0 M END > (COL-01098) COL-01098 > (COL-01098) x > (COL-01098) x > (COL-01098) 2-(3-Methoxyphenylcarbamoyl)-cyclohexanecarboxylic acid > (COL-01098) MFCD00683438 > (COL-01098) 1g > (COL-01098) 5g > (COL-01098) 10g > (COL-01098) POA > (COL-01098) POA > (COL-01098) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 3.6292 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 3.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 5.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8292 2.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 5.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 7.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 2 0 0 0 0 14 7 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 6 4 1 0 0 0 0 16 14 1 0 0 0 0 M END > (COL-01099) COL-01099 > (COL-01099) x > (COL-01099) 4-(1-Carboxyethyl)-1(2H)-phtalazinone > (COL-01099) MFCD00450373 > (COL-01099) 1g > (COL-01099) 5g > (COL-01099) 10g > (COL-01099) POA > (COL-01099) POA > (COL-01099) POA $$$$ -ISIS- 02091117132D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4167 2.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6292 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 11 12 1 0 0 0 0 M END > (COL-01100) COL-01100 > (COL-01100) x > (COL-01100) 4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid > (COL-01100) MFCD00592743 > (COL-01100) 1g > (COL-01100) 5g > (COL-01100) 10g > (COL-01100) POA > (COL-01100) POA > (COL-01100) POA $$$$ -ISIS- 02091117132D 18 19 0 0 0 0 0 0 0 0999 V2000 3.6292 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 7.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0625 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 5.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 6.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 2 2 0 0 0 0 15 3 1 0 0 0 0 16 4 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 11 12 2 0 0 0 0 14 17 1 0 0 0 0 M END > (COL-01101) COL-01101 > (COL-01101) x > (COL-01101) x > (COL-01101) 2-[(Furan-2-carbonyl)-methylamino]benzoic acid > (COL-01101) MFCD00584709 > (COL-01101) 1g > (COL-01101) 5g > (COL-01101) 10g > (COL-01101) POA > (COL-01101) POA > (COL-01101) POA $$$$ -ISIS- 02091117132D 18 18 0 0 0 0 0 0 0 0999 V2000 4.9292 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -3.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 -4.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4083 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -2.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3208 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -1.0583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.7833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -1.6875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 8 1 0 0 0 0 16 5 1 0 0 0 0 6 4 2 0 0 0 0 10 8 1 0 0 0 0 12 14 2 0 0 0 0 M END > (COL-01102) COL-01102 > (COL-01102) x > (COL-01102) 4-(2-Methylimidazo[1,2-a]pyridin-3-yl)-thiazol-2-ylamine dihydrobromide > (COL-01102) MFCD01466796 > (COL-01102) 1g > (COL-01102) 5g > (COL-01102) 10g > (COL-01102) POA > (COL-01102) POA > (COL-01102) POA $$$$ -ISIS- 02091117132D 21 22 0 0 0 0 0 0 0 0999 V2000 4.8875 4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 3.6083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0792 7.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 6.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 4.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4417 7.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 4.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 10 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 12 1 0 0 0 0 19 13 2 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 21 18 2 0 0 0 0 20 19 1 0 0 0 0 M END > (COL-01103) COL-01103 > (COL-01103) x > (COL-01103) x > (COL-01103) 3-Diphenylacetylaminopropionic acid > (COL-01103) MFCD00416945 > (COL-01103) 1g > (COL-01103) 5g > (COL-01103) 10g > (COL-01103) POA > (COL-01103) POA > (COL-01103) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 6.2875 2.4583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0042 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 2.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 4.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3667 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 9 1 0 0 0 0 6 3 2 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 5 8 1 0 0 0 0 16 14 2 0 0 0 0 M END > (COL-01104) COL-01104 > (COL-01104) 1-(2-Phenylethyl)piperazine-2,6-dione > (COL-01104) 247128-18-3 > (COL-01104) MFCD00194545 > (COL-01104) 1g > (COL-01104) 5g > (COL-01104) 10g > (COL-01104) POA > (COL-01104) POA > (COL-01104) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 5.8917 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -1.8208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -3.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4125 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6708 -2.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -3.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -4.3750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 2 2 0 0 0 0 11 12 2 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 6 3 1 0 0 0 0 10 11 1 0 0 0 0 M END > (COL-01105) COL-01105 > (COL-01105) x > (COL-01105) x > (COL-01105) 4-(2-Amino-2-carboxyethyl)benzo[c]-2,1,3-thiadiazole hydrochloride > (COL-01105) MFCD00785122 > (COL-01105) 1g > (COL-01105) 5g > (COL-01105) 10g > (COL-01105) POA > (COL-01105) POA > (COL-01105) POA $$$$ -ISIS- 02091117132D 16 16 0 0 0 0 0 0 0 0999 V2000 7.3333 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3333 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1875 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -3.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -4.1250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 5 3 1 0 0 0 0 8 10 2 0 0 0 0 M END > (COL-01106) COL-01106 > (COL-01106) x > (COL-01106) x > (COL-01106) 5-(2-Amino-2-carboxyethyl)benzo[c]furazane hydrochloride > (COL-01106) MFCD00785124 > (COL-01106) 1g > (COL-01106) 5g > (COL-01106) 10g > (COL-01106) POA > (COL-01106) POA > (COL-01106) POA $$$$ -ISIS- 02091117132D 16 17 0 0 0 0 0 0 0 0999 V2000 4.5500 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 3.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 6.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 4.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 8 1 0 0 0 0 15 12 2 0 0 0 0 16 13 2 0 0 0 0 5 4 2 0 0 0 0 16 15 1 0 0 0 0 M END > (COL-01107) COL-01107 > (COL-01107) x > (COL-01107) x > (COL-01107) 3-Acetylamino-1H-indole-2-carboxylic acid > (COL-01107) 56545-53-0 > (COL-01107) MFCD00997483 > (COL-01107) 1g > (COL-01107) 5g > (COL-01107) 10g > (COL-01107) POA > (COL-01107) POA > (COL-01107) POA $$$$ -ISIS- 02091117132D 24 25 0 0 0 0 0 0 0 0999 V2000 4.8167 5.5417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.8167 6.9417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 6.9375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 7.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 5.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 8.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 7.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7167 5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 5 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 18 3 1 0 0 0 0 19 17 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 17 16 1 0 0 0 0 24 22 2 0 0 0 0 M END > (COL-01108) COL-01108 > (COL-01108) x > (COL-01108) x > (COL-01108) 3-[Benzyl-(toluene-4-sulfonyl)-amino]-2-methyl-propionic acid > (COL-01108) 301320-51-4 > (COL-01108) MFCD00780985 > (COL-01108) 1g > (COL-01108) 5g > (COL-01108) 10g > (COL-01108) POA > (COL-01108) POA > (COL-01108) POA $$$$ -ISIS- 02091117132D 19 22 0 0 0 0 0 0 0 0999 V2000 4.1292 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 3.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 4.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 5.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 1.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0792 3.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 3.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3292 4.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 12 2 0 0 0 0 8 13 2 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 9 2 0 0 0 0 15 3 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 10 11 1 0 0 0 0 8 7 1 0 0 0 0 18 19 2 0 0 0 0 3 4 2 0 0 0 0 M END > (COL-01109) COL-01109 > (COL-01109) x > (COL-01109) 6-(1H-Benzoimidazol-2-yl)-benzothiazol-2-ylamine > (COL-01109) MFCD00781825 > (COL-01109) 1g > (COL-01109) 5g > (COL-01109) 10g > (COL-01109) POA > (COL-01109) POA > (COL-01109) POA $$$$ -ISIS- 02091117132D 21 23 0 0 0 0 0 0 0 0999 V2000 0.9292 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.8458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4542 2.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 1.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 13 2 0 0 0 0 18 14 2 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 4 5 2 0 0 0 0 18 17 1 0 0 0 0 20 21 2 0 0 0 0 M END > (COL-01110) COL-01110 > (COL-01110) x > (COL-01110) (1-Benzyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid > (COL-01110) 314036-23-2 > (COL-01110) MFCD00845351 > (COL-01110) 1g > (COL-01110) 5g > (COL-01110) 10g > (COL-01110) POA > (COL-01110) POA > (COL-01110) POA $$$$ -ISIS- 02091117132D 14 15 0 0 0 0 0 0 0 0999 V2000 4.5667 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 2.5583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4125 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 7.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 5 3 2 0 0 0 0 14 13 1 0 0 0 0 M END > (COL-01111) COL-01111 > (COL-01111) x > (COL-01111) 3-Indazol-1-yl-propionic acid > (COL-01111) MFCD00724727 > (COL-01111) 1g > (COL-01111) 5g > (COL-01111) 10g > (COL-01111) POA > (COL-01111) POA > (COL-01111) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2167 4.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 6.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7125 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 4.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 4.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9042 4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 15 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 10 1 0 0 0 0 16 6 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 3 4 1 0 0 0 0 17 7 2 0 0 0 0 M END > (COL-01112) COL-01112 > (COL-01112) x > (COL-01112) x > (COL-01112) 3-[2-(2H-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid > (COL-01112) MFCD00818933 > (COL-01112) 1g > (COL-01112) 5g > (COL-01112) 10g > (COL-01112) POA > (COL-01112) POA > (COL-01112) POA $$$$ -ISIS- 02091117132D 19 20 0 0 0 0 0 0 0 0999 V2000 1.2042 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 2.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8917 4.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 5.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 9 2 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 14 1 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 5 1 0 0 0 0 18 19 1 0 0 0 0 19 17 2 0 0 0 0 4 7 1 0 0 0 0 18 16 2 0 0 0 0 M END > (COL-01113) COL-01113 > (COL-01113) x > (COL-01113) x > (COL-01113) 2-[2-(2H-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid > (COL-01113) MFCD00818934 > (COL-01113) 1g > (COL-01113) 5g > (COL-01113) 10g > (COL-01113) POA > (COL-01113) POA > (COL-01113) POA $$$$ -ISIS- 02091117132D 19 21 0 0 0 0 0 0 0 0999 V2000 6.1875 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 1.3333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6167 4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 5.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 7.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0875 7.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 2.4583 0.0000 C 0