-ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.0500 1.7750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.1875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3375 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.7042 0.0000 I 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 4 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 7 1 0 0 0 0 9 8 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (S0239) S0239 > (S0239) 1-Fluoro-3-iodo-5-nitrobenzene > (S0239) 3819-88-3 > (S0239) FL; HA; NT > (S0239) Benzene, 1-fluoro-3-iodo-5-nitro- > (S0239) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3875 0.0333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4792 0.0458 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3292 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.4583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2042 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.5208 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 12 2 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 1 2 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 7 4 1 0 0 0 0 M CHG 4 1 1 2 1 8 -1 9 -1 M END > (S0240) S0240 > (S0240) 1-Iodo-3,5-dinitrobenzene > (S0240) 6276-04-6 > (S0240) HA; NT > (S0240) Benzene, 1-iodo-3,5-dinitro- > (S0240) true $$$$ -ISIS- 11270914432D 7 7 0 0 0 0 0 0 0 0999 V2000 0.5167 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.9875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 2 4 1 0 0 0 0 M END > (S0269) S0269 > (S0269) 4-Bromo-3-methyl-1H-pyrazole > (S0269) 13808-64-5 > (S0269) HA; HC > (S0269) 4-Bromo-3-methylpyrazole > (S0269) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1000 1.2833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -3.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 14 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 5 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 11 13 2 0 0 0 0 18 16 1 0 0 0 0 M END > (S0280) S0280 > (S0280) 4-(2-Chlorophenoxy)benzenesulfonyl chloride > (S0280) none > (S0280) HA; SC; BP > (S0280) Benzenesulfonyl chloride, 4-(2-chlorophenoxy)- > (S0280) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 4.6292 -1.9875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.9042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3500 -2.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 10 12 1 0 0 0 0 M END > (S0283) S0283 > (S0283) 2,6-Dichlorobenzenesulfonyl chloride > (S0283) 6579-54-0 > (S0283) HA; SC > (S0283) Benzenesulfonyl chloride, 2,6-dichloro- > (S0283) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 2.2250 1.7583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5167 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.1000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8042 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -0.7292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9542 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 1 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 12 1 0 0 0 0 5 12 1 0 0 0 0 M CHG 2 4 1 9 -1 M END > (S0289) S0289 > (S0289) 4-Chloro-2-nitrobenzenesulfonyl chloride > (S0289) 4533-96-4 > (S0289) HA; SC; NT > (S0289) Benzenesulfonyl chloride, 4-chloro-2-nitro- > (S0289) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 4.1167 1.0833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 10 6 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0291) S0291 > (S0291) 4'-Chloro[1,1'-biphenyl]-4-sulfonyl chloride > (S0291) 20443-74-7 > (S0291) HA; SC > (S0291) [1,1'-Biphenyl]-4-sulfonyl chloride, 4'-chloro- > (S0291) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.2917 1.8958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5875 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 11 6 2 0 0 0 0 17 13 2 0 0 0 0 M END > (S0295) S0295 > (S0295) 3'-Chloro[1,1'-biphenyl]-4-sulfonyl chloride > (S0295) 478647-00-6 > (S0295) HA; SC; BP > (S0295) [1,1'-Biphenyl]-4-sulfonyl chloride, 3'-chloro- > (S0295) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.3042 2.3708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.4500 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 1.6708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 16 1 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 3 2 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 15 6 2 0 0 0 0 12 11 2 0 0 0 0 M END > (S0296) S0296 > (S0296) 3',5'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride > (S0296) none > (S0296) HA > (S0296) [1,1'-Biphenyl]-4-sulfonyl chloride, 3',5'-dichloro- > (S0296) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.1875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -3.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 20 14 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 5 4 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0308) S0308 > (S0308) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)-3-thiophenecarboxylate > (S0308) 138098-81-4 > (S0308) AC; AM; HA; HC > (S0308) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-methylphenyl)-, ethyl ester > (S0308) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.1042 -0.5875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -3.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8292 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.4292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -3.9042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 1.9208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 6 1 0 0 0 0 18 19 1 0 0 0 0 19 9 1 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 5 2 1 0 0 0 0 8 20 2 0 0 0 0 M END > (S0309) S0309 > (S0309) 2-Chloro-1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone > (S0309) 314245-30-2 > (S0309) AK; FL; HA; HC; PY > (S0309) 1-Ethanone, 2-chloro-1-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]- > (S0309) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 3.2542 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -1.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 16 14 2 0 0 0 0 M END > (S0312) S0312 > (S0312) 4-Chloro-5-(4-methylphenyl)thieno[2,3-d]pyrimidine > (S0312) 374104-63-9 > (S0312) HA; HC; PM > (S0312) Thieno[2,3-d]pyrimidine, 4-chloro-5-(4-methylphenyl)- > (S0312) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.5375 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.7042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 5 4 1 0 0 0 0 13 15 2 0 0 0 0 M END > (S0315) S0315 > (S0315) Ethyl 2-amino-4-(4-chlorophenyl)-3-thiophenecarboxylate > (S0315) 65234-09-5 > (S0315) AC; AM; HA; HC > (S0315) 3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-, ethyl ester > (S0315) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 3.4375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -4.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 10 1 0 0 0 0 14 9 2 0 0 0 0 15 12 2 0 0 0 0 16 9 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 11 1 0 0 0 0 20 16 1 0 0 0 0 21 20 1 0 0 0 0 5 6 1 0 0 0 0 11 13 2 0 0 0 0 M END > (S0316) S0316 > (S0316) Ethyl 2-[(2-chloroacetyl)amino]-4-(5-methyl-2-furyl)-3-thiophenecarboxylate > (S0316) none > (S0316) AC; AM; HA; HC; FU > (S0316) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(5-methyl-2-furanyl)-, ethyl ester > (S0316) true $$$$ -ISIS- 11270914432D 9 9 0 0 0 0 0 0 0 0999 V2000 1.8000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.7167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 3 2 1 0 0 0 0 M END > (S0317) S0317 > (S0317) 4-(Chloromethyl)-3,5-dimethylisoxazole > (S0317) 19788-37-5 > (S0317) HA; HC > (S0317) Isoxazole, 4-(chloromethyl)-3,5-dimethyl- > (S0317) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.9167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 8 1 0 0 0 0 9 6 2 0 0 0 0 12 15 1 0 0 0 0 M END > (S0323) S0323 > (S0323) 4-Chloro-2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine > (S0323) 81765-97-1 > (S0323) HA; HC; PM > (S0323) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2-methyl- > (S0323) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8042 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 5 4 2 0 0 0 0 16 12 1 0 0 0 0 M END > (S0326) S0326 > (S0326) Ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0326) 203385-15-3 > (S0326) AC; AM; HA; HC > (S0326) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester > (S0326) true $$$$ -ISIS- 11270914432D 13 15 0 0 0 0 0 0 0 0999 V2000 2.5292 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.9375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 13 11 1 0 0 0 0 M END > (S0327) S0327 > (S0327) 4-Chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine > (S0327) 300816-22-2 > (S0327) HA; HC; PM > (S0327) 5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-chloro-6,7-dihydro- > (S0327) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 1.6500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.0375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 17 15 2 0 0 0 0 M END > (S0332) S0332 > (S0332) 4-Chloro-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidine > (S0332) none > (S0332) HA; HC; PM > (S0332) Thieno[2,3-d]pyrimidine, 4-chloro-6-methyl-5-(4-methylphenyl)- > (S0332) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 3.2167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -2.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 1.9208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 9 2 0 0 0 0 13 6 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 14 1 0 0 0 0 5 3 1 0 0 0 0 10 7 2 0 0 0 0 14 16 1 0 0 0 0 M END > (S0334) S0334 > (S0334) 4-Chloro-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine > (S0334) 331761-46-7 > (S0334) HA; HC; PM > (S0334) Thieno[2,3-d]pyrimidine, 4-chloro-5-(4-chlorophenyl)- > (S0334) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.0292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 16 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 11 2 0 0 0 0 17 13 1 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0335) S0335 > (S0335) Ethyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate > (S0335) 350989-77-4 > (S0335) AC; AM; HA; HC > (S0335) 3-Thiophenecarboxylic acid, 2-amino-4-(4-chlorophenyl)-5-methyl-, ethyl ester > (S0335) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 1.8667 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.7208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 3 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0337) S0337 > (S0337) 4-Chloro-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0337) 137438-23-4 > (S0337) HA; HC; PM > (S0337) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl- > (S0337) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9042 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -3.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -3.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 4 5 1 0 0 0 0 17 15 2 0 0 0 0 M END > (S0339) S0339 > (S0339) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0339) 356568-71-3 > (S0339) AM; HA; HC > (S0339) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)-, ethyl ester > (S0339) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.1750 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 2.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 18 1 0 0 0 0 16 5 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 15 1 0 0 0 0 20 21 1 0 0 0 0 21 8 1 0 0 0 0 22 14 1 0 0 0 0 23 22 1 0 0 0 0 5 3 2 0 0 0 0 17 15 2 0 0 0 0 M END > (S0340) S0340 > (S0340) Ethyl 2-[(2-chloroacetyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate > (S0340) none > (S0340) AC; AM; HA; HC > (S0340) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(4-chlorophenyl)-5-methyl-, ethyl ester > (S0340) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 2.1417 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 3.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 21 1 0 0 0 0 20 16 1 0 0 0 0 21 11 1 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 4 5 1 0 0 0 0 16 18 1 0 0 0 0 M END > (S0343) S0343 > (S0343) Ethyl 2-[(3-chloropropanoyl)amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate > (S0343) 356568-71-3 > (S0343) AC; AM; HA; HC > (S0343) 3-Thiophenecarboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-4-(4-methoxyphenyl)-, ethyl ester > (S0343) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 2.2417 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 4 3 2 0 0 0 0 M END > (S0344) S0344 > (S0344) Diethyl 5-[(2-chloroacetyl)amino]-3-methyl-2,4-thiophenedicarboxylate > (S0344) 146381-87-5 > (S0344) AC; AM; HA; HC > (S0344) 2,4-Thiophenedicarboxylic acid, 5-[(2-chloroacetyl)amino]-3-methyl-, diethyl ester > (S0344) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 1.5500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -2.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -3.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -4.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -4.6875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 5 4 2 0 0 0 0 M END > (S0346) S0346 > (S0346) Ethyl 2-[(2-chloroacetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate > (S0346) 60442-34-4 > (S0346) AC; AM; HA; HC > (S0346) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester > (S0346) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 1.7542 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.1667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.1458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 5 3 1 0 0 0 0 9 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0348) S0348 > (S0348) 4-Chloro-5-phenylthieno[2,3-d]pyrimidine > (S0348) 182198-35-2 > (S0348) HA; HC; PM > (S0348) Thieno[2,3-d]pyrimidine, 4-chloro-5-phenyl- > (S0348) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 1.7042 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.0083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 2.1958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 6 3 1 0 0 0 0 9 7 2 0 0 0 0 11 14 1 0 0 0 0 M END > (S0349) S0349 > (S0349) 4-Chloro-2,7-dimethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0349) none > (S0349) HA; HC; PM > (S0349) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-2,7-dimethyl- > (S0349) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.3167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5542 -4.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 3 4 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0354) S0354 > (S0354) Ethyl 2-[(2-chloroacetyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0354) 76981-87-8 > (S0354) AC; AM; HA; HC > (S0354) 1-Benzothiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester > (S0354) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 0.6542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 8 1 0 0 0 0 17 18 1 0 0 0 0 18 10 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 4 5 1 0 0 0 0 12 14 2 0 0 0 0 M END > (S0355) S0355 > (S0355) Ethyl 2-[(2-chloroacetyl)amino]-4-(2-thienyl)-3-thiophenecarboxylate > (S0355) 315676-33-6 > (S0355) AC; AM; HA; HC > (S0355) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-(2-thienyl)-, ethyl ester > (S0355) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 0.6542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.6917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 17 18 1 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 4 5 1 0 0 0 0 13 14 2 0 0 0 0 M END > (S0356) S0356 > (S0356) Ethyl 2-[(2-chloroacetyl)amino]-4-(2-furyl)-3-thiophenecarboxylate > (S0356) 356568-72-4 > (S0356) AC; AM; HA; HC; FU > (S0356) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(2-furanyl)-, ethyl ester > (S0356) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.5667 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -2.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -3.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 4 5 2 0 0 0 0 20 17 1 0 0 0 0 M END > (S0358) S0358 > (S0358) Ethyl 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0358) 76981-88-9 > (S0358) AC; AM; HA; HC > (S0358) 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester > (S0358) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.2375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -4.4167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 4 5 2 0 0 0 0 21 18 1 0 0 0 0 M END > (S0360) S0360 > (S0360) Ethyl 2-[(3-chloropropanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate > (S0360) 314244-45-6 > (S0360) AC; AM; HA; HC > (S0360) 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-5,6,7,8-tetrahydro-, ethyl ester > (S0360) true $$$$ -ISIS- 11270914432D 15 17 0 0 0 0 0 0 0 0999 V2000 2.2375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 13 15 1 0 0 0 0 M END > (S0361) S0361 > (S0361) 4-Chloro-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine > (S0361) 40106-58-9 > (S0361) HA; HC; PM > (S0361) 5H-Cyclohepta[4,5]thieno[2,3-d]pyrimidine, 4-chloro-6,7,8,9-tetrahydro- > (S0361) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 1.1542 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.3542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 4 5 1 0 0 0 0 20 19 1 0 0 0 0 M END > (S0364) S0364 > (S0364) Methyl 2-[(2-chloroacetyl)amino]-4-phenyl-3-thiophenecarboxylate > (S0364) none > (S0364) AC; AM; HA; HC > (S0364) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-phenyl-, methyl ester > (S0364) true $$$$ -ISIS- 11270914432D 14 16 0 0 0 0 0 0 0 0999 V2000 3.4000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -1.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 14 13 1 0 0 0 0 M END > (S0366) S0366 > (S0366) 4-Chloro-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0366) 40493-18-3 > (S0366) HA; HC; PM > (S0366) [1]Benzothieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro- > (S0366) true $$$$ -ISIS- 11270914432D 12 13 0 0 0 0 0 0 0 0999 V2000 4.1875 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 M END > (S0367) S0367 > (S0367) 4-Chloro-5,6-dimethylthieno[2,3-d]pyrimidine > (S0367) 108831-68-1 > (S0367) HA; HC; PM > (S0367) Thieno[2,3-d]pyrimidine, 4-chloro-5,6-dimethyl- > (S0367) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -3.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 4 5 2 0 0 0 0 19 18 1 0 0 0 0 M END > (S0371) S0371 > (S0371) Ethyl 2-[(3-chloropropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0371) 60442-45-7 > (S0371) AC; AM; HA; HC > (S0371) 1-Benzothiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-4,5,6,7-tetrahydro-, ethyl ester > (S0371) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.1292 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 -0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 16 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 10 2 0 0 0 0 16 13 2 0 0 0 0 17 7 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 21 1 0 0 0 0 21 10 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 22 1 0 0 0 0 4 5 1 0 0 0 0 11 12 2 0 0 0 0 M END > (S0372) S0372 > (S0372) Ethyl 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylate > (S0372) 304863-82-9 > (S0372) AC; AM; HA; HC > (S0372) 3-Thiophenecarboxylic acid, 2-[(2-chloroacetyl)amino]-4-(3,4-dimethoxyphenyl)-, ethyl ester > (S0372) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2750 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.5250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.1583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 2.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 1.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 4 5 2 0 0 0 0 17 15 1 0 0 0 0 M END > (S0373) S0373 > (S0373) 2-Chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide > (S0373) 315684-12-9 > (S0373) AC; AM; HA; HC > (S0373) Acetamide, 2-chloro-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)- > (S0373) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.9250 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 4 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 4 3 2 0 0 0 0 8 6 2 0 0 0 0 14 17 2 0 0 0 0 M END > (S0377) S0377 > (S0377) 5-(4-Chlorophenyl)-6-methylthieno[2,3-d]pyrimidine-4(3H)-thione > (S0377) 500198-74-3 > (S0377) HA; HC; SH; PM > (S0377) Thieno[2,3-d]pyrimidine-4(3H)-thione, 5-(4-chlorophenyl)-6-methyl- > (S0377) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 16 1 0 0 0 0 5 4 2 0 0 0 0 17 18 1 0 0 0 0 M END > (S0382) S0382 > (S0382) Ethyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0382) 60442-41-3 > (S0382) AC; AM; HA; HC > (S0382) 1-Benzothiophene-3-carboxylic acid, 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-, ethyl ester > (S0382) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 0.6042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 1.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 5 4 2 0 0 0 0 13 17 1 0 0 0 0 M END > (S0383) S0383 > (S0383) Methyl 2-[(3-chloropropanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0383) 551910-46-4 > (S0383) AC; AM; HA; HC > (S0383) 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-5,6-dihydro-, methyl ester > (S0383) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 2.8042 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -2.6542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 5 4 2 0 0 0 0 11 15 1 0 0 0 0 M END > (S0384) S0384 > (S0384) 2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide > (S0384) 304685-87-8 > (S0384) AC; AM; HA; HC > (S0384) 2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide > (S0384) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 1.1125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.9458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 5 4 2 0 0 0 0 16 17 1 0 0 0 0 M END > (S0386) S0386 > (S0386) 3-Chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide > (S0386) 58125-41-0 > (S0386) AC; AM; HA; HC > (S0386) Propanamide, 3-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)- > (S0386) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.4542 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 12 9 2 0 0 0 0 14 10 2 0 0 0 0 M END > (S0389) S0389 > (S0389) 4'-Chloro[1,1'-biphenyl]-4-carbaldehyde > (S0389) 80565-30-6 > (S0389) AK; HA; BP > (S0389) [1,1'-Biphenyl]-4-carboxaldehyde, 4'-chloro- > (S0389) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.4500 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.0833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 12 2 0 0 0 0 11 2 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 14 5 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 2 5 2 0 0 0 0 16 13 2 0 0 0 0 M END > (S0392) S0392 > (S0392) 3',4'-Dichloro[1,1'-biphenyl]-4-carbaldehyde > (S0392) 50670-78-5 > (S0392) AK; HA; BP > (S0392) [1,1'-Biphenyl]-4-carboxaldehyde, 3',4'-dichloro- > (S0392) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.4417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.0208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 8 15 2 0 0 0 0 11 9 2 0 0 0 0 M END > (S0393) S0393 > (S0393) 3'-Chloro[1,1'-biphenyl]-4-carbaldehyde > (S0393) 400744-49-2 > (S0393) AK; HA; BP > (S0393) [1,1'-Diphenyl]-4-carboxaldehyde, 3'-chloro- > (S0393) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.4500 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 5 7 2 0 0 0 0 16 12 2 0 0 0 0 M END > (S0394) S0394 > (S0394) 3',5'-Dichloro[1,1'-biphenyl]-4-carbaldehyde > (S0394) 221018-04-8 > (S0394) AK; HA; BP > (S0394) [1,1'-Biphenyl]-4-carboxaldehyde, 3',5'-dichloro- > (S0394) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.3000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 13 15 2 0 0 0 0 11 5 2 0 0 0 0 M END > (S0402) S0402 > (S0402) 4-(2-Chlorophenoxy)aniline > (S0402) 56705-85-2 > (S0402) AM; HA; BP > (S0402) Benzenamine, 4-(2-chlorophenoxy)- > (S0402) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 2.0292 2.0333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4542 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 2.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 2.0583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 9 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 11 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 10 2 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 14 13 1 0 0 0 0 8 5 2 0 0 0 0 18 19 2 0 0 0 0 M END > (S0407) S0407 > (S0407) 2-[1,1'-Biphenyl]-4-yl-2-(bromomethyl)-1,3-dioxolane > (S0407) - > (S0407) HA; HC > (S0407) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3042 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 10 13 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0412) S0412 > (S0412) 2-Amino-5-(2-chlorophenoxy)benzoic acid > (S0412) 117297-54-8 > (S0412) AC; AM; HA; BP > (S0412) Benzoic acid, 2-amino-5-(2-chlorophenoxy)- > (S0412) true $$$$ -ISIS- 07201111452D 15 15 0 0 0 0 0 0 0 0999 V2000 0.4292 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 3.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 12 2 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 14 2 0 0 0 0 15 12 1 0 0 0 0 M END > (S0430) S0430 > (S0430) Methyl 2-[(2-chloroacetyl)amino]benzoate > (S0430) 58915-18-7 > (S0430) AC; HA > (S0430) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.3792 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.8958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7125 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.8917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 18 15 1 0 0 0 0 3 4 1 0 0 0 0 14 15 2 0 0 0 0 M END > (S0436) S0436 > (S0436) 2-Chloro-1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-1-ethanone > (S0436) 300557-74-8 > (S0436) AK; HA; HC; PY > (S0436) 1-Ethanone, 2-chloro-1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]- > (S0436) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.0042 -1.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.2542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 1.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 15 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 18 16 2 0 0 0 0 M END > (S0439) S0439 > (S0439) 2-Chloro-1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0439) 565170-64-1 > (S0439) AK; FL; HA; HC; PY > (S0439) 1-Ethanone, 2-chloro-1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0439) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.2792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3167 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -1.8625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 3.4458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 4 3 1 0 0 0 0 15 12 1 0 0 0 0 M END > (S0440) S0440 > (S0440) 2-Chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0440) 571159-05-2 > (S0440) AK; HA; HC; PY > (S0440) 1-Ethanone, 2-chloro-1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0440) true $$$$ -ISIS- 07201111452D 14 14 0 0 0 0 0 0 0 0999 V2000 -0.4333 0.6000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.4333 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4292 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 11 1 0 0 0 0 11 5 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 8 14 1 0 0 0 0 M CHG 2 1 1 4 -1 M END > (S0441) S0441 > (S0441) 2-Chloro-N-(3-nitrophenyl)acetamide > (S0441) 10147-71-4 > (S0441) HA; NT > (S0441) true $$$$ -ISIS- 07201111452D 16 16 0 0 0 0 0 0 0 0999 V2000 2.6000 -0.6375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8875 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.0542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.3542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 0.0833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.6000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 2 2 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 14 1 0 0 0 0 13 2 1 0 0 0 0 14 7 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 6 16 2 0 0 0 0 M END > (S0442) S0442 > (S0442) 3-Chloro-N-[3-(trifluoromethyl)phenyl]propanamide > (S0442) - > (S0442) FL; HA > (S0442) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4792 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 2.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 4 3 1 0 0 0 0 16 17 1 0 0 0 0 M END > (S0443) S0443 > (S0443) 2-Chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-1-ethanone > (S0443) 304685-85-6 > (S0443) AK; HA; HC; PY > (S0443) 1-Ethanone, 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)- > (S0443) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 0.9167 1.1875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 3.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 3.4458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 13 1 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 3 1 0 0 0 0 15 4 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 2 5 1 0 0 0 0 11 9 2 0 0 0 0 M END > (S0444) S0444 > (S0444) 2-Chloro-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0444) 568559-39-7 > (S0444) AK; HA; HC; PY > (S0444) 1-Ethanone, 2-chloro-1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0444) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 1.2667 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 3.4583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 4 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0447) S0447 > (S0447) 2-Chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0447) 315710-86-2 > (S0447) AK; HA; HC; PY > (S0447) 1-Ethanone, 2-chloro-1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0447) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4667 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -3.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 1.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 4 3 1 0 0 0 0 12 15 1 0 0 0 0 M END > (S0448) S0448 > (S0448) 2-Chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0448) 304685-89-0 > (S0448) AK; FL; HA; HC; PY > (S0448) 1-Ethanone, 2-chloro-1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0448) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.4792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.6000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6667 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.5208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 5 3 1 0 0 0 0 M END > (S0449) S0449 > (S0449) 2-Chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0449) 379241-47-1 > (S0449) AK; HA; HC; PY > (S0449) 1-Ethanone, 2-chloro-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0449) true $$$$ -ISIS- 11270914432D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4792 1.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 2.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 3.2708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 6 4 1 0 0 0 0 14 13 2 0 0 0 0 17 16 1 0 0 0 0 M END > (S0455) S0455 > (S0455) 1-Chloro-4-phenylphthalazine > (S0455) 10132-01-1 > (S0455) HA; HC; PT > (S0455) Phthalazine, 1-chloro-4-phenyl- > (S0455) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.2917 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 3.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 12 1 0 0 0 0 14 4 2 0 0 0 0 15 6 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 4 6 1 0 0 0 0 17 18 2 0 0 0 0 11 13 2 0 0 0 0 M END > (S0456) S0456 > (S0456) 1-Chloro-4-(4-methylphenyl)phthalazine > (S0456) 76972-35-5 > (S0456) HA; HC; PT > (S0456) Phthalazine, 1-chloro-4-(4-methylphenyl)- > (S0456) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.3167 1.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 3.5833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.8500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 11 1 0 0 0 0 15 4 2 0 0 0 0 16 6 2 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 4 6 1 0 0 0 0 12 11 2 0 0 0 0 17 18 2 0 0 0 0 M END > (S0457) S0457 > (S0457) 1-Chloro-4-(4-fluorophenyl)phthalazine > (S0457) 155937-28-3 > (S0457) FL; HA; HC; PT > (S0457) Phthalazine, 1-chloro-4-(4-fluorophenyl)- > (S0457) true $$$$ -ISIS- 11270914432D 19 21 0 0 0 0 0 0 0 0999 V2000 1.7542 1.6958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 3.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 8 2 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 11 1 0 0 0 0 13 6 1 0 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 7 4 1 0 0 0 0 19 18 2 0 0 0 0 9 10 1 0 0 0 0 M END > (S0458) S0458 > (S0458) 1-Chloro-4-(3,4-dimethylphenyl)phthalazine > (S0458) 129842-38-2 > (S0458) HA; HC; PT > (S0458) Phthalazine, 1-chloro-4-(3,4-dimethylphenyl)- > (S0458) true $$$$ -ISIS- 11270914432D 20 22 0 0 0 0 0 0 0 0999 V2000 -0.4583 2.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 1.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0417 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 0.1333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 10 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 13 1 0 0 0 0 12 6 2 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 8 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 19 1 0 0 0 0 7 3 2 0 0 0 0 17 16 1 0 0 0 0 11 5 1 0 0 0 0 M END > (S0493) S0493 > (S0493) 2-Chloro-1-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-1-ethanone > (S0493) 885268-10-0 > (S0493) AM; FL; HA; HC; PD > (S0493) 1,2-Benzisoxazole, 3-[1-(2-chloroacetyl)-4-piperidinyl]-5-fluoro- > (S0493) true $$$$ -ISIS- 11270914432D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.5875 2.5583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 1.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4083 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9250 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 6 1 0 0 0 0 13 6 2 0 0 0 0 14 9 1 0 0 0 0 15 9 1 0 0 0 0 16 7 1 0 0 0 0 17 8 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 21 1 0 0 0 0 21 12 1 0 0 0 0 7 3 2 0 0 0 0 18 17 1 0 0 0 0 10 4 1 0 0 0 0 M END > (S0494) S0494 > (S0494) 3-Chloro-1-[4-(5-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-1-propanone > (S0494) 885268-12-2 > (S0494) AM; FL; HA; HC; PD > (S0494) 1,2-Benzisoxazole, 3-[1-(3-chloro-1-oxopropyl)-4-piperidinyl]-5-fluoro- > (S0494) true $$$$ -ISIS- 11270914432D 23 25 0 0 0 0 0 0 0 0999 V2000 -1.1083 2.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9375 2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 1.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 -0.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 20 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 10 2 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 7 1 0 0 0 0 19 8 2 0 0 0 0 20 14 1 0 0 0 0 21 10 1 0 0 0 0 22 18 2 0 0 0 0 23 19 1 0 0 0 0 7 3 2 0 0 0 0 22 19 1 0 0 0 0 4 12 1 0 0 0 0 M END > (S0495) S0495 > (S0495) 4-[4-(5-Fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]-4-oxobutanoic acid > (S0495) 885268-14-4 > (S0495) AC; AM; FL; HA; HC; PD > (S0495) 1-Piperidinebutanoic acid, 4-(5-fluoro-1,2-benzisoxazol-3-yl)-gamma-oxo- > (S0495) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 2.6000 1.9000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.5667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 2.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 2.3333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.1167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.1167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 14 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 6 2 1 0 0 0 0 M END > (S0501) S0501 > (S0501) 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride > (S0501) 32333-53-2 > (S0501) FL; HA; SC > (S0501) Benzenesulfonyl chloride, 4-chloro-3-(trifluoromethyl)- > (S0501) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5750 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0508) S0508 > (S0508) 4-Amino-4'-chloro-1,1'-biphenyl-3-carboxylic acid > (S0508) 885268-18-8 > (S0508) AC; AM; HA; BP > (S0508) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-chloro- > (S0508) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.2875 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 9 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 1 1 0 0 0 0 17 7 1 0 0 0 0 13 6 1 0 0 0 0 3 7 2 0 0 0 0 M END > (S0517) S0517 > (S0517) 3',4'-Dichloro-1,1'-biphenyl-4-carboxylic acid > (S0517) 7111-64-0 > (S0517) AC; HA; BP > (S0517) [1,1'-Biphenyl]-4-carboxylic acid, 3',4'-dichloro- > (S0517) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.2667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.5750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 1 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 9 4 1 0 0 0 0 11 16 2 0 0 0 0 M END > (S0522) S0522 > (S0522) 3'-Chloro-1,1'-biphenyl-4-carboxylic acid > (S0522) 5728-43-8 > (S0522) AC; HA; BP > (S0522) [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro- > (S0522) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5750 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 9 4 1 0 0 0 0 13 17 2 0 0 0 0 M END > (S0525) S0525 > (S0525) 4-Amino-3'-chloro-1,1'-biphenyl-3-carboxylic acid > (S0525) 885268-24-6 > (S0525) HA; BP > (S0525) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-chloro- > (S0525) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 0.4375 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 3.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 14 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 2 1 0 0 0 0 16 8 1 0 0 0 0 17 7 1 0 0 0 0 7 9 2 0 0 0 0 13 4 1 0 0 0 0 M END > (S0526) S0526 > (S0526) 3',5'-Dichloro-1,1'-biphenyl-4-carboxylic acid > (S0526) 190911-79-6 > (S0526) AC; HA; BP > (S0526) [1,1'-Biphenyl]-4-carboxylic acid, 3',5'-dichloro- > (S0526) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.5792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 3 2 0 0 0 0 13 14 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 13 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (S0529) S0529 > (S0529) 4-Amino-3',5'-dichloro-1,1'-biphenyl-3-carboxylic acid > (S0529) 885268-26-8 > (S0529) AC; AM; HA; BP > (S0529) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3',5'-dichloro- > (S0529) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.2667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 1 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 8 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0552) S0552 > (S0552) 4'-Chloro-1,1'-biphenyl-4-carboxylic acid > (S0552) 5748-41-4 > (S0552) AC; HA; BP > (S0552) [1,1'-Biphenyl]-4-carboxylic acid, 4'-chloro- > (S0552) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.6792 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -3.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 16 2 0 0 0 0 4 5 1 0 0 0 0 14 18 1 0 0 0 0 M END > (S0557) S0557 > (S0557) Ethyl 2-amino-4-(2-chlorophenyl)thiophene-3-carboxylate > (S0557) 325724-66-1 > (S0557) AC; AM; HA; HC > (S0557) 3-Thiophenecarboxylic acid, 2-amino-4-(2-chlorophenyl)-, ethyl ester > (S0557) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 2.8500 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 0.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S0572) S0572 > (S0572) 2-Chloro-N-(4-methylphenyl)acetamide > (S0572) 16634-82-5 > (S0572) HA > (S0572) true $$$$ -ISIS- 12091012012D 19 19 0 0 0 0 0 0 0 0999 V2000 1.8292 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -2.3167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -2.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8875 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.8583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 6 2 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 8 1 0 0 0 0 19 8 1 0 0 0 0 2 10 1 0 0 0 0 M END > (S0573) S0573 > (S0573) 2-Chloro-N-(3,5-di-tert-butylphenyl)acetamide > (S0573) - > (S0573) HA > (S0573) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 2.5167 -0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -1.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.3167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 5 4 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0574) S0574 > (S0574) 2-Chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide > (S0574) - > (S0574) HA; HC > (S0574) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 2.6667 -0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.2333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -0.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -0.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 4 5 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0575) S0575 > (S0575) 2-Chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide > (S0575) - > (S0575) HA; HC > (S0575) true $$$$ -ISIS- 07201111452D 15 16 0 0 0 0 0 0 0 0999 V2000 3.5167 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 12 1 0 0 0 0 8 1 1 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 15 1 0 0 0 0 15 4 1 0 0 0 0 6 5 1 0 0 0 0 10 13 2 0 0 0 0 M END > (S0576) S0576 > (S0576) N-(1,3-benzodioxol-5-ylmethyl)-2-chloroacetamide > (S0576) 40023-03-8 > (S0576) HA; HC > (S0576) true $$$$ -ISIS- 12091012012D 11 11 0 0 0 0 0 0 0 0999 V2000 1.3917 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -1.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 2 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 6 7 2 0 0 0 0 M END > (S0577) S0577 > (S0577) 2-Chloro-N-(2-furylmethyl)acetamide > (S0577) 40914-13-4 > (S0577) HA; FU > (S0577) true $$$$ -ISIS- 12091012012D 11 11 0 0 0 0 0 0 0 0999 V2000 3.9167 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9625 -1.9375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 10 1 0 0 0 0 9 11 1 0 0 0 0 M END > (S0578) S0578 > (S0578) 2-Chloro-N-(tetrahydrofuran-2-ylmethyl)acetamide > (S0578) [39089-62-8] > (S0578) HA; HC > (S0578) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.3333 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.6583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 6 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 10 5 1 0 0 0 0 M END > (S0579) S0579 > (S0579) 2-Chloro-N-(3-chloro-4-fluorophenyl)acetamide > (S0579) 96980-64-2 > (S0579) HA > (S0579) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 4.0542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.0750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 5 10 1 0 0 0 0 M END > (S0580) S0580 > (S0580) 2-Chloro-N-(4-chlorophenyl)acetamide > (S0580) 3289-75-6 > (S0580) HA > (S0580) true $$$$ -ISIS- 12091012012D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0042 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -1.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 14 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 19 2 0 0 0 0 5 4 1 0 0 0 0 20 21 1 0 0 0 0 M END > (S0581) S0581 > (S0581) Ethyl 2-[(chloroacetyl)amino]-4-phenylthiophene-3-carboxylate > (S0581) - > (S0581) HA; HC > (S0581) true $$$$ -ISIS- 12091012012D 22 23 0 0 0 0 0 0 0 0999 V2000 1.9542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.9083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -0.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.1083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 8 1 0 0 0 0 21 14 1 0 0 0 0 22 21 1 0 0 0 0 5 4 1 0 0 0 0 17 15 2 0 0 0 0 M END > (S0582) S0582 > (S0582) Ethyl 2-[(chloroacetyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate > (S0582) - > (S0582) HA; HC > (S0582) true $$$$ -ISIS- 12091012012D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.0750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -1.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 13 16 2 0 0 0 0 14 7 2 0 0 0 0 15 10 2 0 0 0 0 16 12 1 0 0 0 0 17 7 1 0 0 0 0 18 19 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 13 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 5 4 1 0 0 0 0 11 13 1 0 0 0 0 M END > (S0583) S0583 > (S0583) Ethyl 2-[(chloroacetyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate > (S0583) - > (S0583) HA; HC > (S0583) true $$$$ -ISIS- 12091012012D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8292 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -2.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 -1.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -1.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 16 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 8 1 0 0 0 0 21 14 1 0 0 0 0 22 21 1 0 0 0 0 5 4 1 0 0 0 0 17 15 2 0 0 0 0 M END > (S0584) S0584 > (S0584) Ethyl 2-[(chloroacetyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate > (S0584) - > (S0584) FL; HA; HC > (S0584) true $$$$ -ISIS- 12091012012D 14 14 0 0 0 0 0 0 0 0999 V2000 3.5917 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.7792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0585) S0585 > (S0585) N-(3-acetylphenyl)-2-chloroacetamide > (S0585) - > (S0585) AK; HA > (S0585) true $$$$ -ISIS- 12091012012D 15 16 0 0 0 0 0 0 0 0999 V2000 1.2042 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 14 1 0 0 0 0 15 8 1 0 0 0 0 11 6 1 0 0 0 0 M END > (S0586) S0586 > (S0586) 2-Chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide > (S0586) - > (S0586) HA; HC > (S0586) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 3.5667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -1.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S0587) S0587 > (S0587) 2-Chloro-N-(3-methylphenyl)acetamide > (S0587) 32428-61-8 > (S0587) HA > (S0587) true $$$$ -ISIS- 12091012012D 15 15 0 0 0 0 0 0 0 0999 V2000 0.5792 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 10 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 9 6 1 0 0 0 0 M END > (S0588) S0588 > (S0588) 3-Chloro-N-(4-ethoxyphenyl)propanamide > (S0588) - > (S0588) HA > (S0588) true $$$$ -ISIS- 12091012012D 14 14 0 0 0 0 0 0 0 0999 V2000 1.7667 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.6958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 10 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 13 1 0 0 0 0 12 6 1 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 9 6 1 0 0 0 0 M END > (S0589) S0589 > (S0589) 3-Chloro-N-(4-methoxyphenyl)propanamide > (S0589) 22303-36-2 > (S0589) HA > (S0589) true $$$$ -ISIS- 12091012012D 14 14 0 0 0 0 0 0 0 0999 V2000 1.7542 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 10 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 3 2 0 0 0 0 13 11 2 0 0 0 0 14 9 1 0 0 0 0 13 7 1 0 0 0 0 M END > (S0590) S0590 > (S0590) 3-Chloro-N-(3-methoxyphenyl)propanamide > (S0590) 17641-08-6 > (S0590) HA > (S0590) true $$$$ -ISIS- 07201111452D 13 13 0 0 0 0 0 0 0 0999 V2000 1.7667 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.4875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 10 2 0 0 0 0 7 5 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 12 1 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 9 6 1 0 0 0 0 M END > (S0591) S0591 > (S0591) 3-Chloro-N-(4-methylphenyl)propanamide > (S0591) - > (S0591) HA > (S0591) true $$$$ -ISIS- 07201111452D 20 20 0 0 0 0 0 0 0 0999 V2000 2.8542 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -2.4167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2792 0.0583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 14 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 8 1 0 0 0 0 2 10 1 0 0 0 0 M END > (S0592) S0592 > (S0592) 3-Chloro-N-(3,5-di-tert-butylphenyl)propanamide > (S0592) - > (S0592) HA > (S0592) true $$$$ -ISIS- 12091012012D 16 16 0 0 0 0 0 0 0 0999 V2000 1.4292 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -2.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 8 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 9 2 0 0 0 0 12 13 1 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 7 4 1 0 0 0 0 M END > (S0593) S0593 > (S0593) N-(4-tert-butylphenyl)-3-chloropropanamide > (S0593) - > (S0593) HA > (S0593) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 1.7667 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.5250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 10 1 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 13 1 0 0 0 0 13 3 1 0 0 0 0 6 11 2 0 0 0 0 M END > (S0594) S0594 > (S0594) 3-Chloro-N-(4-fluorophenyl)propanamide > (S0594) 56767-37-4 > (S0594) FL; HA > (S0594) true $$$$ -ISIS- 12091012012D 14 14 0 0 0 0 0 0 0 0999 V2000 1.4167 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 12 14 2 0 0 0 0 M END > (S0595) S0595 > (S0595) 3-Chloro-N-(2-phenylethyl)propanamide > (S0595) - > (S0595) HA > (S0595) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 4.0042 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 13 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 3 1 0 0 0 0 12 8 2 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 16 1 0 0 0 0 16 9 1 0 0 0 0 6 5 1 0 0 0 0 11 14 2 0 0 0 0 M END > (S0596) S0596 > (S0596) N-(1,3-benzodioxol-5-ylmethyl)-3-chloropropanamide > (S0596) - > (S0596) HA; HC > (S0596) true $$$$ -ISIS- 12091012012D 22 23 0 0 0 0 0 0 0 0999 V2000 2.7250 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.2458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.5292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 11 1 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 20 16 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 5 4 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0597) S0597 > (S0597) Ethyl 2-[(3-chloropropanoyl)amino]-4-phenylthiophene-3-carboxylate > (S0597) - > (S0597) HA; HC > (S0597) true $$$$ -ISIS- 12091012012D 23 24 0 0 0 0 0 0 0 0999 V2000 2.8000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -0.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -1.2917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 16 1 0 0 0 0 20 21 1 0 0 0 0 21 11 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 5 4 1 0 0 0 0 18 16 1 0 0 0 0 M END > (S0598) S0598 > (S0598) Ethyl 4-(4-chlorophenyl)-2-[(3-chloropropanoyl)amino]thiophene-3-carboxylate > (S0598) - > (S0598) HA; HC > (S0598) true $$$$ -ISIS- 12091012012D 24 25 0 0 0 0 0 0 0 0999 V2000 2.6667 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -1.2917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 12 8 2 0 0 0 0 13 17 2 0 0 0 0 14 7 2 0 0 0 0 15 9 1 0 0 0 0 16 9 2 0 0 0 0 17 12 1 0 0 0 0 18 7 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 21 11 1 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 23 1 0 0 0 0 5 4 1 0 0 0 0 11 13 1 0 0 0 0 M END > (S0599) S0599 > (S0599) Ethyl 2-[(3-chloropropanoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate > (S0599) - > (S0599) HA; HC > (S0599) true $$$$ -ISIS- 12091012012D 23 24 0 0 0 0 0 0 0 0999 V2000 2.6167 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9292 -1.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 13 2 0 0 0 0 18 16 2 0 0 0 0 19 20 1 0 0 0 0 20 11 1 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 21 1 0 0 0 0 5 4 1 0 0 0 0 17 18 1 0 0 0 0 M END > (S0600) S0600 > (S0600) Ethyl 2-[(3-chloropropanoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate > (S0600) - > (S0600) HA; HC > (S0600) true $$$$ -ISIS- 07201111452D 23 24 0 0 0 0 0 0 0 0999 V2000 2.6042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -2.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -1.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.6292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -0.8417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 1 0 0 0 0 16 17 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 16 1 0 0 0 0 20 21 1 0 0 0 0 21 11 1 0 0 0 0 22 15 1 0 0 0 0 23 22 1 0 0 0 0 5 4 1 0 0 0 0 18 16 1 0 0 0 0 M END > (S0601) S0601 > (S0601) Ethyl 2-[(3-chloropropanoyl)amino]-4-(4-fluorophenyl)thiophene-3-carboxylate > (S0601) - > (S0601) FL; HA; HC > (S0601) true $$$$ -ISIS- 12091012012D 21 22 0 0 0 0 0 0 0 0999 V2000 2.7792 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.8792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -2.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -1.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3625 -2.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 7 1 0 0 0 0 15 9 1 0 0 0 0 16 10 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 14 1 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 4 3 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0602) S0602 > (S0602) Ethyl 2-[(3-chloropropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0602) - > (S0602) HA; HC > (S0602) true $$$$ -ISIS- 11270914432D 8 8 0 0 0 0 0 0 0 0999 V2000 2.5167 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.2417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S0603) S0603 > (S0603) 4-(Chloromethyl)-2-methyl-1,3-thiazole > (S0603) 39238-07-8 > (S0603) HA; HC > (S0603) Thiazole, 4-(chloromethyl)-2-methyl- > (S0603) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 2.4042 -0.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -3.8667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 14 1 0 0 0 0 14 12 2 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 7 8 1 0 0 0 0 6 5 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0622) S0622 > (S0622) 5-(4-Chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thiol > (S0622) 610276-80-7 > (S0622) HA; HC; SH > (S0622) Thiazolo[2,3-c][1,2,4]triazole-3-thiol, 5-(4-chlorophenyl)- > (S0622) true $$$$ -ISIS- 12091012012D 12 12 0 0 0 0 0 0 0 0999 V2000 0.6792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.3583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 3.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 3 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 8 9 2 0 0 0 0 M END > (S0626) S0626 > (S0626) 2-chloro-N-(3-cyano-2-thienyl)acetamide > (S0626) - > (S0626) HA; HC > (S0626) true $$$$ -ISIS- 07201111452D 18 19 0 0 0 0 0 0 0 0999 V2000 3.0250 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.3667 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5375 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 2.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 0.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 14 2 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 4 2 0 0 0 0 13 3 2 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 4 1 0 0 0 0 18 17 1 0 0 0 0 10 2 1 0 0 0 0 6 7 1 0 0 0 0 M END > (S0627) S0627 > (S0627) 2-chloro-1-[4-(3,4-dichlorophenyl)-1-piperazinyl]-1-ethanone > (S0627) - > (S0627) HA; HC > (S0627) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 2.8292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.1583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 8 3 2 0 0 0 0 15 16 1 0 0 0 0 M END > (S0628) S0628 > (S0628) 1-[1,1'-biphenyl]-4-yl-2-bromo-1-ethanone > (S0628) 135-73-9 > (S0628) AK; HA; BP > (S0628) 2-bromo-4'-phenylacetophenone > (S0628) true $$$$ -ISIS- 07201111452D 16 17 0 0 0 0 0 0 0 0999 V2000 0.8167 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.4042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 2.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 0.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 5 4 2 0 0 0 0 12 16 1 0 0 0 0 M END > (S0629) S0629 > (S0629) 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide > (S0629) - > (S0629) HA; HC > (S0629) true $$$$ -ISIS- 12091012012D 28 30 0 0 0 0 0 0 0 0999 V2000 1.5667 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.5125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.3750 0.0000 C 0 0 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 -1.4333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 0.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5083 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 -0.0500 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 3 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 9 3 1 0 0 0 0 10 16 1 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 10 1 0 0 0 0 19 7 1 0 0 0 0 20 21 1 0 0 0 0 21 12 1 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 5 4 1 0 0 0 0 17 10 2 0 0 0 0 27 28 2 0 0 0 0 M END > (S0630) S0630 > (S0630) ethyl 4-[1,1'-biphenyl]-4-yl-2-[(3-chloropropanoyl)amino]-3-thiophenecarboxylate > (S0630) - > (S0630) HA; HC > (S0630) true $$$$ -ISIS- 12091012012D 16 16 0 0 0 0 0 0 0 0999 V2000 -0.8000 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 2.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 1.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 12 2 0 0 0 0 10 1 1 0 0 0 0 11 7 2 0 0 0 0 12 8 1 0 0 0 0 13 14 1 0 0 0 0 14 2 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 11 9 1 0 0 0 0 M END > (S0631) S0631 > (S0631) ethyl 4-[(2-chloroacetyl)amino]benzoate > (S0631) 26226-72-2 > (S0631) AC; HA > (S0631) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.3958 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -4.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -2.9792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -4.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -4.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -2.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 14 1 0 0 0 0 16 15 2 0 0 0 0 17 13 1 0 0 0 0 18 10 2 0 0 0 0 19 13 2 0 0 0 0 20 18 1 0 0 0 0 21 20 2 0 0 0 0 8 9 1 0 0 0 0 6 3 2 0 0 0 0 21 19 1 0 0 0 0 M END > (S0635) S0635 > (S0635) 3-allyl-5-(2-chlorophenyl)-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one > (S0635) - > (S0635) HA; HC; SH > (S0635) true $$$$ -ISIS- 07201111452D 17 19 0 0 0 0 0 0 0 0999 V2000 5.1292 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.4542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 2.2458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 3.4208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 16 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 3 5 1 0 0 0 0 7 10 2 0 0 0 0 15 14 2 0 0 0 0 M END > (S0639) S0639 > (S0639) 4-chloro-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine > (S0639) - > (S0639) FL; HA; HC > (S0639) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 1.2292 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 2.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 13 10 1 0 0 0 0 14 13 2 0 0 0 0 5 3 1 0 0 0 0 12 14 1 0 0 0 0 M END > (S0640) S0640 > (S0640) 2-chloro-1-(2-methyl-1H-indol-3-yl)-1-ethanone > (S0640) 38693-08-2 > (S0640) AK; HA; HC; IN > (S0640) 1-ethanone, 2-chloro-1-(2-methyl-1H-indol-3-yl)- > (S0640) true $$$$ -ISIS- 12091012012D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.4583 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 1.8708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 8 16 1 0 0 0 0 12 6 1 0 0 0 0 M END > (S0641) S0641 > (S0641) 3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide > (S0641) 42477-08-7 > (S0641) HA; HC > (S0641) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 1.1000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 4 5 2 0 0 0 0 17 18 1 0 0 0 0 M END > (S0642) S0642 > (S0642) methyl 2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > (S0642) - > (S0642) HA; HC > (S0642) true $$$$ -ISIS- 12091012012D 22 23 0 0 0 0 0 0 0 0999 V2000 1.6042 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -0.6750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 1.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 8 2 0 0 0 0 13 16 2 0 0 0 0 14 7 2 0 0 0 0 15 10 2 0 0 0 0 16 12 1 0 0 0 0 17 7 1 0 0 0 0 18 19 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 13 1 0 0 0 0 22 17 1 0 0 0 0 5 4 1 0 0 0 0 11 13 1 0 0 0 0 M END > (S0643) S0643 > (S0643) methyl 2-[(2-chloroacetyl)amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylate > (S0643) - > (S0643) HA; HC > (S0643) true $$$$ -ISIS- 12091012012D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2125 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 0.4958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 0.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 4 5 2 0 0 0 0 12 16 1 0 0 0 0 M END > (S0644) S0644 > (S0644) methyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate > (S0644) - > (S0644) HA; HC > (S0644) true $$$$ -ISIS- 11270914432D 18 20 0 0 0 0 0 0 0 0999 V2000 2.9792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -1.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.9583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 7 10 2 0 0 0 0 16 14 2 0 0 0 0 M END > (S0646) S0646 > (S0646) 4-chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine > (S0646) 312584-53-5 > (S0646) HA; HC; PM > (S0646) thieno[2,3-d]pyrimidine, 4-chloro-5-(4-methoxyphenyl)- > (S0646) true $$$$ -ISIS- 11270914432D 16 18 0 0 0 0 0 0 0 0999 V2000 0.6500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.2958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 8 4 1 0 0 0 0 6 9 2 0 0 0 0 16 12 1 0 0 0 0 M END > (S0648) S0648 > (S0648) 4-chloro-2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine > (S0648) 401511-17-9 > (S0648) HA; HC; PM > (S0648) [1]benzothieno[2,3-d]pyrimidine, 4-chloro-2-ethyl-5,6,7,8-tetrahydro- > (S0648) true $$$$ -ISIS- 11270914432D 10 10 0 0 0 0 0 0 0 0999 V2000 2.2417 1.0583 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.0458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 7 9 2 0 0 0 0 M END > (S0654) S0654 > (S0654) 4-chlorophenylboronic acid > (S0654) 1679-18-1 > (S0654) HA; BA > (S0654) boronic acid, (4-chlorophenyl)- > (S0654) true $$$$ -ISIS- 12091012012D 14 14 0 0 0 0 0 0 0 0999 V2000 3.9167 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 -2.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -3.7417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 8 5 2 0 0 0 0 M END > (S0664) S0664 > (S0664) 2-chloro-N-(4-ethoxyphenyl)acetamide > (S0664) 2153-08-4 > (S0664) HA > (S0664) true $$$$ -ISIS- 12091012012D 20 22 0 0 0 0 0 0 0 0999 V2000 0.4625 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.9542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 2.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 13 1 0 0 0 0 13 7 1 0 0 0 0 14 6 1 0 0 0 0 15 14 2 0 0 0 0 16 4 2 0 0 0 0 17 5 2 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 4 5 1 0 0 0 0 18 10 2 0 0 0 0 19 20 2 0 0 0 0 M END > (S0665) S0665 > (S0665) N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-chloroacetamide > (S0665) - > (S0665) HA; HC > (S0665) true $$$$ -ISIS- 07201111452D 20 22 0 0 0 0 0 0 0 0999 V2000 1.4167 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 7 2 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 4 2 0 0 0 0 18 5 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 5 4 1 0 0 0 0 14 12 2 0 0 0 0 20 19 2 0 0 0 0 M END > (S0666) S0666 > (S0666) N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloroacetamide > (S0666) - > (S0666) HA; HC > (S0666) true $$$$ -ISIS- 12091012012D 11 11 0 0 0 0 0 0 0 0999 V2000 -0.9333 1.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7500 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 2.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 11 10 1 0 0 0 0 M END > (S0667) S0667 > (S0667) 1-(1-azepanyl)-2-chloro-1-ethanone > (S0667) 52227-33-5 > (S0667) HA; HC > (S0667) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 3.3625 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -1.3250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 15 1 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 14 2 0 0 0 0 17 4 2 0 0 0 0 18 5 2 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 5 4 1 0 0 0 0 10 19 2 0 0 0 0 21 20 2 0 0 0 0 M END > (S0668) S0668 > (S0668) N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-chloropropanamide > (S0668) - > (S0668) HA; HC > (S0668) true $$$$ -ISIS- 12091012012D 21 23 0 0 0 0 0 0 0 0999 V2000 0.6417 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -0.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 2.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 3.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 4 2 0 0 0 0 19 5 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 4 5 1 0 0 0 0 13 15 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S0669) S0669 > (S0669) N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloropropanamide > (S0669) - > (S0669) HA; HC > (S0669) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4292 -0.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.0375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.4250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 5 4 1 0 0 0 0 15 17 2 0 0 0 0 M END > (S0670) S0670 > (S0670) 3-chloro-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide > (S0670) - > (S0670) HA; HC > (S0670) true $$$$ -ISIS- 07201111452D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4375 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 0.4208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 4 5 1 0 0 0 0 15 17 2 0 0 0 0 M END > (S0671) S0671 > (S0671) 3-chloro-N-(5-phenyl-1,2,4-thiadiazol-3-yl)propanamide > (S0671) - > (S0671) HA; HC > (S0671) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 0.6417 -1.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -1.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 15 1 0 0 0 0 15 5 1 0 0 0 0 11 12 2 0 0 0 0 M END > (S0672) S0672 > (S0672) N-[4-(aminosulfonyl)phenyl]-2-chloroacetamide > (S0672) 14949-01-0 > (S0672) AM; HA; SA > (S0672) acetamide, N-[4-(aminosulfonyl)phenyl]-2-chloro- > (S0672) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 0.3167 2.0833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3250 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 2.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 2.1083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 11 7 2 0 0 0 0 M END > (S0674) S0674 > (S0674) 3-chlorobenzenesulfonyl chloride > (S0674) 2888-06-4 > (S0674) HA; SC > (S0674) benzenesulfonyl chloride, 3-chloro- > (S0674) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 0.3167 2.4833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3250 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 3.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 2.4708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 4 7 2 0 0 0 0 M END > (S0676) S0676 > (S0676) 3-chloro-4-fluorobenzenesulfonyl chloride > (S0676) 91170-93-3 > (S0676) FL; HA; SC > (S0676) benzenesulfonyl chloride, 3-chloro-4-fluoro- > (S0676) true $$$$ -ISIS- 07201111452D 17 19 0 0 0 0 0 0 0 0999 V2000 -2.2500 -8.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -7.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -9.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 -8.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -8.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -9.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -7.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -7.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -8.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -8.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -9.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -8.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -9.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -8.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4375 -9.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -9.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 8 7 1 0 0 0 0 5 9 2 0 0 0 0 16 17 2 0 0 0 0 M END > (S0697) S0697 > (S0697) 4-chloro-2-methyl-5-phenylthieno[2,3-d]pyrimidine > (S0697) 83548-61-2 > (S0697) HA; HC > (S0697) true $$$$ -ISIS- 07201111452D 19 21 0 0 0 0 0 0 0 0999 V2000 1.6625 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 3.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 1.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 3.9958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 1.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 8 7 1 0 0 0 0 5 9 2 0 0 0 0 16 14 1 0 0 0 0 M END > (S0698) S0698 > (S0698) 4-chloro-5-(4-methoxyphenyl)-2-methylthieno[2,3-d]pyrimidine > (S0698) - > (S0698) HA; HC > (S0698) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.6333 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 3.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.7708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9458 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5708 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3875 1.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 9 1 0 0 0 0 8 7 1 0 0 0 0 5 9 2 0 0 0 0 16 14 1 0 0 0 0 M END > (S0699) S0699 > (S0699) 4-chloro-5-(4-chlorophenyl)-2-methylthieno[2,3-d]pyrimidine > (S0699) - > (S0699) HA; HC > (S0699) true $$$$ -ISIS- 12091012012D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.5625 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -5.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -6.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -7.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -6.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -8.1042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 8 4 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0700) S0700 > (S0700) 4-chloro-2,5,6-trimethylthieno[2,3-d]pyrimidine > (S0700) 83548-58-7 > (S0700) HA; HC > (S0700) true $$$$ -ISIS- 07201111452D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.4375 -6.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -5.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -4.9917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -6.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -7.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -6.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -7.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -6.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -7.6375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -5.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 -6.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 6 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 3 5 1 0 0 0 0 8 11 2 0 0 0 0 12 14 1 0 0 0 0 M END > (S0701) S0701 > (S0701) 4-chloro-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidine > (S0701) - > (S0701) HA; HC > (S0701) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 -4.8083 0.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -6.2292 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2292 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9417 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8083 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -0.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3792 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 1 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 2 5 1 0 0 0 0 7 8 2 0 0 0 0 M END > (S0714) S0714 > (S0714) 2-chloro-1-[6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl]-1-ethanone > (S0714) 111631-72-2 > (S0714) AM; HA; HC > (S0714) isoquinoline, 2-(2-chloroacetyl)-1,2,3,4-tetrahydro-6,7-dimethoxy- > (S0714) true $$$$ -ISIS- 12091012012D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.0375 -2.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -4.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 14 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 5 4 1 0 0 0 0 12 13 2 0 0 0 0 M END > (S0716) S0716 > (S0716) 2-chloro-N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]acetamide > (S0716) - > (S0716) HA; HC > (S0716) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -4.1583 -3.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5333 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8625 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6875 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -1.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8708 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -4.6917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 -3.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5958 -6.3625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 5 3 1 0 0 0 0 16 12 1 0 0 0 0 M END > (S0717) S0717 > (S0717) 2-chloro-1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0717) 885268-70-2 > (S0717) AK; FL; HA; HC; PY > (S0717) 1-ethanone, 2-chloro-1-[1-(2,5-difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0717) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -2.2458 -7.2750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6333 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -6.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5375 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -8.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -4.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -9.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -8.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -7.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 -9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -9.7667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -4.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 5 3 1 0 0 0 0 16 12 1 0 0 0 0 M END > (S0718) S0718 > (S0718) 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0718) 885268-72-4 > (S0718) AK; HA; HC; PY > (S0718) 1-ethanone, 2-chloro-1-[1-(2,5-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]- > (S0718) true $$$$ -ISIS- 07201111452D 21 22 0 0 0 0 0 0 0 0999 V2000 -2.4958 -5.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2083 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -6.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -6.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -5.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -8.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -6.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -2.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -8.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -6.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -8.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 2 1 0 0 0 0 14 4 1 0 0 0 0 15 11 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 12 1 0 0 0 0 19 8 1 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 5 3 1 0 0 0 0 15 12 1 0 0 0 0 M END > (S0719) S0719 > (S0719) 2-chloro-1-[1-(2,5-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-1-ethanone > (S0719) - > (S0719) HA; HC > (S0719) true $$$$ -ISIS- 12091012012D 15 17 0 0 0 0 0 0 0 0999 V2000 3.3125 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -3.1542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -0.3875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 8 4 1 0 0 0 0 12 14 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0724) S0724 > (S0724) 4-chloro-2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine > (S0724) - > (S0724) HA; HC > (S0724) true $$$$ -ISIS- 12091012012D 17 19 0 0 0 0 0 0 0 0999 V2000 1.4417 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.4292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 2.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0083 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 7 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 10 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 4 3 2 0 0 0 0 8 6 2 0 0 0 0 15 17 1 0 0 0 0 M END > (S0725) S0725 > (S0725) 4-chloro-6-methyl-5-phenylthieno[2,3-d]pyrimidine > (S0725) - > (S0725) HA; HC > (S0725) true $$$$ -ISIS- 11270914432D 14 15 0 0 0 0 0 0 0 0999 V2000 1.0042 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 0.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 5 1 0 0 0 0 14 12 1 0 0 0 0 8 11 1 0 0 0 0 4 7 1 0 0 0 0 M END > (S0734) S0734 > (S0734) 2-chloro-7-methoxy-4-methylquinoline > (S0734) 97892-67-6 > (S0734) HA; HC; Q > (S0734) quinoline, 2-chloro-7-methoxy-4-methyl- > (S0734) true $$$$ -ISIS- 12091012012D 13 13 0 0 0 0 0 0 0 0999 V2000 2.3625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 3.6083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 6 2 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 4 2 0 0 0 0 12 10 2 0 0 0 0 13 7 1 0 0 0 0 12 7 1 0 0 0 0 M END > (S0735) S0735 > (S0735) 3-chloro-N-(3-methylphenyl)propanamide > (S0735) - > (S0735) HA > (S0735) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 0.4917 0.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 1.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 2.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 2.5583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 4 5 1 0 0 0 0 12 10 1 0 0 0 0 M END > (S0736) S0736 > (S0736) 5-(4-chlorophenyl)-1,2,4-thiadiazol-3-ylamine > (S0736) 89894-30-4 > (S0736) AM; HA; HC > (S0736) 1,2,4-thiadiazol-3-amine, 5-(4-chlorophenyl)- > (S0736) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 1.3042 -0.7917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 2.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 9 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 3 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 8 4 1 0 0 0 0 M END > (S0738) S0738 > (S0738) 1-[4-(tert-butyl)phenyl]-2-chloro-1-ethanone > (S0738) 21886-62-4 > (S0738) AK; HA > (S0738) 1-ethanone, 2-chloro-1-[4-(1,1-dimethylethyl)phenyl]- > (S0738) true $$$$ -ISIS- 12091012012D 16 18 0 0 0 0 0 0 0 0999 V2000 2.2250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.7875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -0.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 5 4 1 0 0 0 0 7 9 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0746) S0746 > (S0746) 4-chloro-6-phenylthieno[2,3-d]pyrimidine > (S0746) 35970-79-7 > (S0746) HA; HC > (S0746) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.0375 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6750 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.4208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -3.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 13 1 0 0 0 0 12 7 1 0 0 0 0 13 9 2 0 0 0 0 14 8 1 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 18 16 1 0 0 0 0 14 11 2 0 0 0 0 M END > (S0747) S0747 > (S0747) 3-chloro-1-(4-fluorobenzoyl)-2-azepanone > (S0747) - > (S0747) FL; HA; HC > (S0747) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 0.4375 0.4208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0792 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 3.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -1.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 11 2 0 0 0 0 9 4 2 0 0 0 0 10 2 1 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 13 1 0 0 0 0 18 3 1 0 0 0 0 19 18 2 0 0 0 0 20 19 1 0 0 0 0 20 13 2 0 0 0 0 12 8 1 0 0 0 0 M END > (S0750) S0750 > (S0750) 4-{[(3-chlorophenyl)sulfonyl]amino}benzoic acid > (S0750) none > (S0750) AC; HA; SA > (S0750) benzoic acid, 4-[[(3-chlorophenyl)sulfonyl]amino]- > (S0750) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 -1.5583 0.2708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1958 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6375 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -1.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 10 1 0 0 0 0 9 4 2 0 0 0 0 10 17 2 0 0 0 0 11 16 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 12 1 0 0 0 0 19 2 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 12 21 2 0 0 0 0 8 11 2 0 0 0 0 M END > (S0757) S0757 > (S0757) 4-({[(3-chlorophenyl)sulfonyl]amino}methyl)benzoic acid > (S0757) none > (S0757) AC; HA; SA > (S0757) benzoic acid, 4-[[[(3-chlorophenyl)sulfonyl]amino]methyl]- > (S0757) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 0.7167 1.3833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5417 1.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 15 10 2 0 0 0 0 M END > (S0764) S0764 > (S0764) 2-{[(3-chlorophenyl)sulfonyl]amino}acetic acid > (S0764) none > (S0764) HA; AA; SA > (S0764) glycine, N-[(3-chlorophenyl)sulfonyl]- > (S0764) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 0.3875 1.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3875 2.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 16 10 2 0 0 0 0 M END > (S0771) S0771 > (S0771) N-[(3-chlorophenyl)sulfonyl]alanine > (S0771) none > (S0771) HA; AA; SA > (S0771) alanine, N-[(3-chlorophenyl)sulfonyl]- > (S0771) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.0542 1.7458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 3.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 2 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 17 23 2 0 0 0 0 18 4 1 0 0 0 0 19 11 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 12 2 0 0 0 0 23 13 1 0 0 0 0 24 7 2 0 0 0 0 25 11 2 0 0 0 0 26 24 1 0 0 0 0 27 26 2 0 0 0 0 17 22 1 0 0 0 0 9 16 2 0 0 0 0 25 27 1 0 0 0 0 M END > (S0788) S0788 > (S0788) 4-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)benzoic acid > (S0788) none > (S0788) AC; HA; BP; SA > (S0788) benzoic acid, 4-[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]- > (S0788) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 4.7750 -0.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0625 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -3.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -5.6500 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 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 16 1 0 0 0 0 9 14 2 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 24 1 0 0 0 0 15 23 2 0 0 0 0 16 22 2 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 17 1 0 0 0 0 20 11 1 0 0 0 0 21 12 2 0 0 0 0 22 13 1 0 0 0 0 23 19 1 0 0 0 0 24 19 2 0 0 0 0 25 7 2 0 0 0 0 26 11 2 0 0 0 0 27 25 1 0 0 0 0 28 27 2 0 0 0 0 16 21 1 0 0 0 0 15 9 1 0 0 0 0 26 28 1 0 0 0 0 M END > (S0789) S0789 > (S0789) 4-[({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)methyl]benzoic acid > (S0789) none > (S0789) AC; HA; BP; SA > (S0789) benzoic acid, 4-[[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]methyl]- > (S0789) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8125 -3.4750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 -3.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 18 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 M END > (S0790) S0790 > (S0790) 2-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)acetic acid > (S0790) none > (S0790) HA; BP; AA; SA > (S0790) glycine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0790) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9625 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5375 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7750 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 3.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 18 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 3 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0791) S0791 > (S0791) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}alanine > (S0791) none > (S0791) HA; BP; AA; SA > (S0791) alanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0791) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0042 0.9500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7250 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 15 18 1 0 0 0 0 21 25 1 0 0 0 0 M END > (S0792) S0792 > (S0792) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}valine > (S0792) none > (S0792) HA > (S0792) valine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0792) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.4542 0.2208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0292 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -2.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.4292 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 1 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 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 20 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 2 1 0 0 0 0 18 2 1 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 8 2 0 0 0 0 22 11 2 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 27 23 1 0 0 0 0 14 19 1 0 0 0 0 27 24 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0793) S0793 > (S0793) 1-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid > (S0793) none > (S0793) AC; HA; BP; SA > (S0793) cyclohexanecarboxylic acid, 1-[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]- > (S0793) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.9667 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 10 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 20 1 0 0 0 0 24 20 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0794) S0794 > (S0794) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}leucine > (S0794) none > (S0794) HA; BP; AA; SA > (S0794) leucine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0794) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.9625 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2417 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0795) S0795 > (S0795) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}(methyl)homocysteine > (S0795) none > (S0795) HA; BP; AA; SA > (S0795) homocysteine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]-S-methyl- > (S0795) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 0.9375 -2.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -3.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 20 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 11 1 0 0 0 0 19 12 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 22 1 0 0 0 0 25 24 2 0 0 0 0 15 19 1 0 0 0 0 21 17 1 0 0 0 0 23 25 1 0 0 0 0 M END > (S0796) S0796 > (S0796) 1-{[4-(2-chlorophenoxy)phenyl]sulfonyl}proline > (S0796) none > (S0796) HA; BP; AA; SA > (S0796) proline, 1-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0796) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 1.7875 1.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 4.0792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 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 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 20 2 0 0 0 0 16 4 1 0 0 0 0 17 12 1 0 0 0 0 18 10 1 0 0 0 0 19 13 2 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 18 1 0 0 0 0 24 18 2 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 27 2 0 0 0 0 15 19 1 0 0 0 0 28 29 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0797) S0797 > (S0797) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}phenylalanine > (S0797) none > (S0797) HA; BP; AA; SA > (S0797) phenylalanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0797) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 1.9917 0.1750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4167 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.1167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 19 2 0 0 0 0 15 7 1 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 18 12 2 0 0 0 0 19 13 1 0 0 0 0 20 6 2 0 0 0 0 21 10 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 14 18 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0798) S0798 > (S0798) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}-beta-alanine > (S0798) none > (S0798) HA; BP; AA; SA > (S0798) beta-alanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0798) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.1167 0.6333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.9417 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 1.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.0583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.8125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 12 2 0 0 0 0 10 6 2 0 0 0 0 11 3 1 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 21 2 0 0 0 0 20 7 2 0 0 0 0 21 8 1 0 0 0 0 19 20 1 0 0 0 0 9 13 1 0 0 0 0 M END > (S0828) S0828 > (S0828) 4-{[(2,6-dichlorophenyl)sulfonyl]amino}benzoic acid > (S0828) none > (S0828) AC; HA; SA > (S0828) benzoic acid, 4-[[(2,6-dichlorophenyl)sulfonyl]amino]- > (S0828) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.4250 0.6375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.1417 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 2.3083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.1792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 4 2 0 0 0 0 11 19 2 0 0 0 0 12 18 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 22 2 0 0 0 0 21 7 2 0 0 0 0 22 8 1 0 0 0 0 20 21 1 0 0 0 0 9 12 2 0 0 0 0 M END > (S0829) S0829 > (S0829) 4-({[(2,6-dichlorophenyl)sulfonyl]amino}methyl)benzoic acid > (S0829) none > (S0829) AC; HA; SA > (S0829) benzoic acid, 4-[[[(2,6-dichlorophenyl)sulfonyl]amino]methyl]- > (S0829) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 3.0292 -1.9417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4542 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -2.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 7 2 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 14 15 1 0 0 0 0 M END > (S0830) S0830 > (S0830) 2-{[(2,6-dichlorophenyl)sulfonyl]amino}acetic acid > (S0830) 19818-06-5 > (S0830) HA; AA; SA > (S0830) glycine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0830) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.5250 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5250 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9542 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -1.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.2875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0831) S0831 > (S0831) N-[(2,6-dichlorophenyl)sulfonyl]alanine > (S0831) none > (S0831) HA; AA; SA > (S0831) alanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0831) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 -0.7833 0.8833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3583 1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 1.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 2.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9125 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4583 0.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 1 0 0 0 0 16 15 1 0 0 0 0 M END > (S0832) S0832 > (S0832) N-[(2,6-dichlorophenyl)sulfonyl]valine > (S0832) none > (S0832) HA; AA; SA > (S0832) valine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0832) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 3.9167 -1.0917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6417 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.2667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 20 1 0 0 0 0 16 17 1 0 0 0 0 19 21 1 0 0 0 0 M END > (S0833) S0833 > (S0833) 1-{[(2,6-dichlorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0833) none > (S0833) AC; HA; SA > (S0833) cyclohexanecarboxylic acid, 1-[[(2,6-dichlorophenyl)sulfonyl]amino]- > (S0833) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5042 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.0833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7875 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 3.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 18 2 0 0 0 0 16 10 1 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 16 1 0 0 0 0 15 17 1 0 0 0 0 M END > (S0834) S0834 > (S0834) N-[(2,6-dichlorophenyl)sulfonyl]leucine > (S0834) none > (S0834) HA; AA; SA > (S0834) leucine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0834) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5042 0.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 3.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 15 1 0 0 0 0 16 17 1 0 0 0 0 M END > (S0835) S0835 > (S0835) N-[(2,6-dichlorophenyl)sulfonyl](methyl)homocysteine > (S0835) none > (S0835) HA; AA; SA > (S0835) homocysteine, N-[(2,6-dichlorophenyl)sulfonyl]-S-methyl- > (S0835) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.1750 0.5875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9500 0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 0.8333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5458 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 2.2250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 2 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 19 2 0 0 0 0 18 8 2 0 0 0 0 19 9 1 0 0 0 0 18 17 1 0 0 0 0 13 16 1 0 0 0 0 M END > (S0836) S0836 > (S0836) 1-[(2,6-dichlorophenyl)sulfonyl]proline > (S0836) none > (S0836) HA; AA; SA > (S0836) proline, 1-[(2,6-dichlorophenyl)sulfonyl]- > (S0836) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.2792 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8792 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.8333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 2.2250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 10 1 0 0 0 0 16 18 2 0 0 0 0 17 8 2 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 16 17 1 0 0 0 0 22 23 1 0 0 0 0 M END > (S0837) S0837 > (S0837) N-[(2,6-dichlorophenyl)sulfonyl]phenylalanine > (S0837) none > (S0837) HA; AA; SA > (S0837) phenylalanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0837) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 2.9125 -1.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 2.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -1.9417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 17 2 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 15 16 1 0 0 0 0 M END > (S0838) S0838 > (S0838) N-[(2,6-dichlorophenyl)sulfonyl]-beta-alanine > (S0838) none > (S0838) HA; AA; SA > (S0838) beta-alanine, N-[(2,6-dichlorophenyl)sulfonyl]- > (S0838) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 0.6625 1.1375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.2375 1.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0875 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2750 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.6250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2875 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 10 1 0 0 0 0 18 10 1 0 0 0 0 16 11 2 0 0 0 0 M END > (S0839) S0839 > (S0839) N-[(3-chlorophenyl)sulfonyl]valine > (S0839) none > (S0839) HA; AA; SA > (S0839) valine, N-[(3-chlorophenyl)sulfonyl]- > (S0839) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 3.9167 -0.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -0.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 10 17 2 0 0 0 0 19 20 1 0 0 0 0 M END > (S0840) S0840 > (S0840) 1-{[(3-chlorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0840) none > (S0840) AC; HA; SA > (S0840) cyclohexanecarboxylic acid, 1-[[(3-chlorophenyl)sulfonyl]amino]- > (S0840) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5125 -0.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 11 17 2 0 0 0 0 M END > (S0841) S0841 > (S0841) N-[(3-chlorophenyl)sulfonyl]leucine > (S0841) none > (S0841) HA; AA; SA > (S0841) leucine, N-[(3-chlorophenyl)sulfonyl]- > (S0841) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 3.5125 0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 17 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 16 1 0 0 0 0 19 14 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0842) S0842 > (S0842) N-[(3-chlorophenyl)sulfonyl](methyl)homocysteine > (S0842) none > (S0842) HA; AA; SA > (S0842) homocysteine, N-[(3-chlorophenyl)sulfonyl]-S-methyl- > (S0842) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.9167 -1.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 -2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 10 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 16 13 1 0 0 0 0 11 18 2 0 0 0 0 M END > (S0843) S0843 > (S0843) 1-[(3-chlorophenyl)sulfonyl]proline > (S0843) none > (S0843) HA; AA; SA > (S0843) proline, 1-[(3-chlorophenyl)sulfonyl]- > (S0843) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.3125 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 11 17 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0844) S0844 > (S0844) N-[(3-chlorophenyl)sulfonyl]phenylalanine > (S0844) none > (S0844) HA; AA; SA > (S0844) phenylalanine, N-[(3-chlorophenyl)sulfonyl]- > (S0844) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.8167 0.0750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -1.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 10 16 2 0 0 0 0 M END > (S0845) S0845 > (S0845) N-[(3-chlorophenyl)sulfonyl]-beta-alanine > (S0845) none > (S0845) HA; AA; SA > (S0845) beta-alanine, N-[(3-chlorophenyl)sulfonyl]- > (S0845) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 4.1167 1.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.1792 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 2.6458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9417 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 0.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 3.3583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 2.2208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 3.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 1.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 11 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 17 1 0 0 0 0 11 20 2 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 6 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 7 1 0 0 0 0 22 10 1 0 0 0 0 23 18 1 0 0 0 0 24 18 2 0 0 0 0 11 19 1 0 0 0 0 10 2 2 0 0 0 0 M END > (S0857) S0857 > (S0857) 4-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)benzoic acid > (S0857) 612041-77-7 > (S0857) AC; FL; HA; SA > (S0857) benzoic acid, 4-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino]- > (S0857) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.7750 0.1958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.6208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 1.6083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 2.4458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.7958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 11 1 0 0 0 0 8 17 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 19 1 0 0 0 0 12 7 2 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 20 6 1 0 0 0 0 21 7 1 0 0 0 0 22 8 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 25 23 1 0 0 0 0 8 2 2 0 0 0 0 18 11 2 0 0 0 0 M END > (S0858) S0858 > (S0858) 4-[({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]benzoic acid > (S0858) 690646-04-9 > (S0858) AC; FL; HA; SA > (S0858) benzoic acid, 4-[[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino]methyl]- > (S0858) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 2.5000 -2.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.2250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -4.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 0.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -0.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 17 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 12 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 8 2 2 0 0 0 0 M END > (S0859) S0859 > (S0859) 2-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)acetic acid > (S0859) 612043-42-2 > (S0859) FL; HA; AA; SA > (S0859) glycine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0859) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.1792 0.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 1.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6042 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -3.1875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -1.7417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -3.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 7 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0860) S0860 > (S0860) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}alanine > (S0860) 1008594-59-9 > (S0860) FL; HA; AA; SA > (S0860) alanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0860) true $$$$ -ISIS- 11270914432D 22 22 0 0 0 0 0 0 0 0999 V2000 4.4792 0.0375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0750 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8542 0.3833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8917 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.9125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.4917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0375 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.2625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 13 2 0 0 0 0 18 5 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 11 3 2 0 0 0 0 M END > (S0861) S0861 > (S0861) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}valine > (S0861) FL; HA; AA; SA > (S0861) valine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0861) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 4.0417 -0.3125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.1917 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3250 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -0.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7625 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 0.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.0292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 0.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9125 -1.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 13 2 0 0 0 0 18 8 1 0 0 0 0 19 11 1 0 0 0 0 20 3 1 0 0 0 0 21 3 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 11 2 2 0 0 0 0 24 23 1 0 0 0 0 M END > (S0862) S0862 > (S0862) 1-({[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid > (S0862) 885269-03-4 > (S0862) AC; FL; HA; SA > (S0862) cyclohexanecarboxylic acid, 1-[[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]amino]- > (S0862) true $$$$ -ISIS- 11270914432D 23 23 0 0 0 0 0 0 0 0999 V2000 3.1625 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -2.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1625 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.1917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 18 1 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 14 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 21 1 0 0 0 0 23 21 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0863) S0863 > (S0863) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}leucine > (S0863) FL; HA; AA; SA > (S0863) leucine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0863) true $$$$ -ISIS- 11270914432D 23 23 0 0 0 0 0 0 0 0999 V2000 3.1625 0.1875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3375 0.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 0.9083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8750 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3375 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.7250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.0167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -1.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.6208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 17 1 0 0 0 0 12 8 2 0 0 0 0 13 5 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 13 2 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 23 21 1 0 0 0 0 11 2 2 0 0 0 0 M END > (S0864) S0864 > (S0864) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}(methyl)homocysteine > (S0864) 1009232-49-8 > (S0864) FL; HA; AA; SA > (S0864) homocysteine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]-S-methyl- > (S0864) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.5917 -2.2125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 -2.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3875 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.3667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.6458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -1.3292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 14 1 0 0 0 0 12 6 1 0 0 0 0 13 8 2 0 0 0 0 14 12 2 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 18 2 1 0 0 0 0 19 8 1 0 0 0 0 20 4 1 0 0 0 0 21 11 1 0 0 0 0 22 18 1 0 0 0 0 20 22 1 0 0 0 0 11 3 2 0 0 0 0 M END > (S0865) S0865 > (S0865) 1-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}proline > (S0865) 1009684-43-8 > (S0865) FL; HA; AA; SA > (S0865) proline, 1-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0865) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 1.9667 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4167 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 3.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6917 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 4.1042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 3.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 3.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 2.4125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 18 1 0 0 0 0 12 5 1 0 0 0 0 13 8 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 14 2 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 23 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 11 2 2 0 0 0 0 25 26 2 0 0 0 0 M END > (S0866) S0866 > (S0866) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}phenylalanine > (S0866) 1008052-19-4 > (S0866) FL; HA; AA; SA > (S0866) phenylalanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0866) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 2.7167 0.1083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0250 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -2.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -2.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -1.9417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.2417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 17 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 1 1 0 0 0 0 11 18 1 0 0 0 0 12 4 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 6 1 0 0 0 0 20 9 1 0 0 0 0 6 2 2 0 0 0 0 M END > (S0867) S0867 > (S0867) N-{[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl}-beta-alanine > (S0867) 612043-43-3 > (S0867) FL; HA; AA; SA > (S0867) beta-alanine, N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl]- > (S0867) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.1167 0.8333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.1167 1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 0.0083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 3.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 4.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 12 2 0 0 0 0 14 3 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 17 6 1 0 0 0 0 18 5 1 0 0 0 0 19 10 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 16 9 2 0 0 0 0 6 10 2 0 0 0 0 M END > (S0868) S0868 > (S0868) 4-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}benzoic acid > (S0868) 612043-04-6 > (S0868) AC; FL; HA; SA > (S0868) benzoic acid, 4-[[(3-chloro-4-fluorophenyl)sulfonyl]amino]- > (S0868) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.7750 0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3542 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.0875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 12 2 0 0 0 0 14 22 1 0 0 0 0 15 21 2 0 0 0 0 16 3 1 0 0 0 0 17 6 1 0 0 0 0 18 5 1 0 0 0 0 19 16 1 0 0 0 0 20 10 1 0 0 0 0 21 19 1 0 0 0 0 22 19 2 0 0 0 0 6 10 2 0 0 0 0 15 9 1 0 0 0 0 M END > (S0869) S0869 > (S0869) 4-({[(3-chloro-4-fluorophenyl)sulfonyl]amino}methyl)benzoic acid > (S0869) 690646-06-1 > (S0869) AC; FL; HA; SA > (S0869) benzoic acid, 4-[[[(3-chloro-4-fluorophenyl)sulfonyl]amino]methyl]- > (S0869) true $$$$ -ISIS- 11270914432D 16 16 0 0 0 0 0 0 0 0999 V2000 2.8875 -2.2000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.4625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 0.1083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 6 10 2 0 0 0 0 M END > (S0870) S0870 > (S0870) 2-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}acetic acid > (S0870) 613657-33-3 > (S0870) FL; HA; AA; SA > (S0870) glycine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0870) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.5250 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2417 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 2.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -2.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -3.2875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0871) S0871 > (S0871) N-[(3-chloro-4-fluorophenyl)sulfonyl]alanine > (S0871) 1009505-66-1 > (S0871) FL; HA; AA; SA > (S0871) alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0871) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 4.3042 -0.2750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7250 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7375 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7167 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 2.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 1.6708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5917 -3.0417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -2.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0872) S0872 > (S0872) N-[(3-chloro-4-fluorophenyl)sulfonyl]valine > (S0872) 1008660-85-2 > (S0872) FL; HA; AA; SA > (S0872) valine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0872) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 3.9167 -0.6792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4917 -0.6750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -0.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 15 5 1 0 0 0 0 16 10 1 0 0 0 0 17 2 1 0 0 0 0 18 2 1 0 0 0 0 19 18 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 7 10 2 0 0 0 0 20 21 1 0 0 0 0 M END > (S0873) S0873 > (S0873) 1-{[(3-chloro-4-fluorophenyl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0873) 690646-08-3 > (S0873) AC; FL; HA; SA > (S0873) cyclohexanecarboxylic acid, 1-[[(3-chloro-4-fluorophenyl)sulfonyl]amino]- > (S0873) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5125 0.0208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.7333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -3.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 7 11 2 0 0 0 0 M END > (S0874) S0874 > (S0874) N-[(3-chloro-4-fluorophenyl)sulfonyl]leucine > (S0874) FL; HA; AA; SA > (S0874) leucine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0874) true $$$$ -ISIS- 11270914432D 20 20 0 0 0 0 0 0 0 0999 V2000 3.5125 0.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 0.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6875 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.2792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -3.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 7 10 2 0 0 0 0 M END > (S0875) S0875 > (S0875) N-[(3-chloro-4-fluorophenyl)sulfonyl](methyl)homocysteine > (S0875) 1009235-46-4 > (S0875) FL; HA; AA; SA > (S0875) homocysteine, N-[(3-chloro-4-fluorophenyl)sulfonyl]-S-methyl- > (S0875) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 1.6542 -1.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8542 -2.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2750 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4625 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3375 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 6 1 0 0 0 0 10 13 1 0 0 0 0 11 4 1 0 0 0 0 12 5 2 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 3 1 0 0 0 0 18 10 1 0 0 0 0 19 14 1 0 0 0 0 17 19 1 0 0 0 0 9 10 2 0 0 0 0 M END > (S0876) S0876 > (S0876) 1-[(3-chloro-4-fluorophenyl)sulfonyl]proline > (S0876) FL; HA; AA; SA > (S0876) proline, 1-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0876) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.3125 0.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7167 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 3.2750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 2.4083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 3 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 4 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 10 1 0 0 0 0 19 18 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 21 2 0 0 0 0 7 11 2 0 0 0 0 23 22 1 0 0 0 0 M END > (S0877) S0877 > (S0877) N-[(3-chloro-4-fluorophenyl)sulfonyl]phenylalanine > (S0877) 1008956-65-7 > (S0877) FL; HA; AA; SA > (S0877) phenylalanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0877) true $$$$ -ISIS- 11270914432D 17 17 0 0 0 0 0 0 0 0999 V2000 3.0250 0.0875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -2.3042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -1.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 2 1 0 0 0 0 12 7 2 0 0 0 0 13 11 2 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 4 9 2 0 0 0 0 M END > (S0878) S0878 > (S0878) N-[(3-chloro-4-fluorophenyl)sulfonyl]-beta-alanine > (S0878) 613657-34-4 > (S0878) FL; HA; AA; SA > (S0878) beta-alanine, N-[(3-chloro-4-fluorophenyl)sulfonyl]- > (S0878) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 4.4042 1.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4000 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 6.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 2 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 24 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 21 1 0 0 0 0 14 8 1 0 0 0 0 16 7 2 0 0 0 0 21 25 2 0 0 0 0 M END > (S0926) S0926 > (S0926) 4-{[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}benzoic acid > (S0926) 885269-32-9 > (S0926) AC; HA; BP; SA > (S0926) benzoic acid, 4-[[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0926) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.7667 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -4.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -3.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -4.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -6.0375 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 1 2 0 0 0 0 6 1 2 0 0 0 0 7 16 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 25 2 0 0 0 0 16 26 1 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 2 1 0 0 0 0 20 4 1 0 0 0 0 21 23 1 0 0 0 0 22 19 1 0 0 0 0 23 18 2 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 14 8 1 0 0 0 0 7 15 1 0 0 0 0 21 24 2 0 0 0 0 M END > (S0927) S0927 > (S0927) 4-({[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}methyl)benzoic acid > (S0927) 885269-34-1 > (S0927) AC; HA; BP; SA > (S0927) benzoic acid, 4-[[[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino]methyl]- > (S0927) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.3292 -3.3500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6042 -2.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -3.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1917 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 1.6750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 14 8 1 0 0 0 0 17 20 2 0 0 0 0 M END > (S0928) S0928 > (S0928) 2-{[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0928) 885269-36-3 > (S0928) HA; BP; AA; SA > (S0928) glycine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0928) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.7333 0.7458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.7833 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3708 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 18 1 0 0 0 0 22 3 1 0 0 0 0 8 14 1 0 0 0 0 20 18 2 0 0 0 0 M END > (S0929) S0929 > (S0929) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0929) HA; BP; AA; SA > (S0929) alanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0929) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 5.4417 -1.5625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.5167 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -0.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9542 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 0.4458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3167 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8875 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 15 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0930) S0930 > (S0930) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0930) HA; BP; AA; SA > (S0930) valine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0930) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 5.0917 -0.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -0.4625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3750 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1167 -3.3917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 21 1 0 0 0 0 19 2 1 0 0 0 0 20 2 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 14 8 1 0 0 0 0 24 26 1 0 0 0 0 18 22 2 0 0 0 0 M END > (S0931) S0931 > (S0931) 1-{[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0931) 885269-38-5 > (S0931) AC; HA; BP; SA > (S0931) cyclohexanecarboxylic acid, 1-[[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0931) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.2792 2.8083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0667 3.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 2.4833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4792 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 1.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 2.2833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9750 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9875 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 8 1 0 0 0 0 24 23 1 0 0 0 0 25 23 1 0 0 0 0 9 15 1 0 0 0 0 21 19 2 0 0 0 0 M END > (S0932) S0932 > (S0932) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0932) HA; BP; AA; SA > (S0932) leucine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0932) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.8083 1.4375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1208 0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 0.5125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5625 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.7375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -1.0875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1875 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 19 1 0 0 0 0 23 24 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 8 14 1 0 0 0 0 21 19 2 0 0 0 0 M END > (S0933) S0933 > (S0933) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl](methyl)homocysteine > (S0933) HA; BP; AA; SA > (S0933) homocysteine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-S-methyl- > (S0933) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 0.4542 -1.8750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3250 -2.1625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9583 -1.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 0.1083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 21 1 0 0 0 0 20 3 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 14 8 1 0 0 0 0 20 24 1 0 0 0 0 19 22 2 0 0 0 0 M END > (S0934) S0934 > (S0934) 1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0934) HA; BP; AA; SA > (S0934) proline, 1-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0934) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 0.8917 1.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.6833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2958 2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 2.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 3.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 2.9583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 3.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 3.1708 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 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 21 1 0 0 0 0 20 8 1 0 0 0 0 21 17 2 0 0 0 0 22 16 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 27 24 1 0 0 0 0 28 26 1 0 0 0 0 15 9 1 0 0 0 0 19 22 2 0 0 0 0 27 28 2 0 0 0 0 M END > (S0935) S0935 > (S0935) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0935) HA; BP; AA; SA > (S0935) phenylalanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0935) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.5667 0.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7542 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 5 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 14 7 1 0 0 0 0 18 21 2 0 0 0 0 M END > (S0936) S0936 > (S0936) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0936) 885269-40-9 > (S0936) HA; BP; AA; SA > (S0936) beta-alanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0936) true $$$$ -ISIS- 11270914432D 15 15 0 0 0 0 0 0 0 0999 V2000 4.0417 -0.6292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6250 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -3.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 0.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 9 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 10 4 1 0 0 0 0 M END > (S0980) S0980 > (S0980) ethyl 1-(2-chloroacetyl)-4-piperidinecarboxylate > (S0980) 318280-71-6 > (S0980) AC; AK; HA; HC; PD > (S0980) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1667 -0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.4250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2875 -0.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 13 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 5 4 1 0 0 0 0 14 12 1 0 0 0 0 M END > (S0981) S0981 > (S0981) N1-[5-(4-methoxyphenyl)-1,2,4-thiadiazol-3-yl]-2-chloroacetamide > (S0981) 885269-63-6 > (S0981) AK; HA; HC > (S0981) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.6417 -0.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3417 -0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.6458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2250 0.9708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -3.8042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 0.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 17 1 0 0 0 0 17 7 1 0 0 0 0 4 5 1 0 0 0 0 12 14 2 0 0 0 0 M END > (S0982) S0982 > (S0982) N1-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-chloroacetamide > (S0982) 885269-65-8 > (S0982) AK; HA; HC > (S0982) true $$$$ -ISIS- 07201111452D 21 22 0 0 0 0 0 0 0 0999 V2000 3.4000 -0.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1125 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -3.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2500 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.6208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 11 1 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 7 1 0 0 0 0 20 14 1 0 0 0 0 21 20 1 0 0 0 0 21 19 1 0 0 0 0 13 9 1 0 0 0 0 M END > (S0983) S0983 > (S0983) 1-[4-(tert-butyl)benzoyl]-3-chloro-2-azepanone > (S0983) - > (S0983) HA; HC > (S0983) true $$$$ -ISIS- 12091012012D 18 19 0 0 0 0 0 0 0 0999 V2000 3.4000 -0.8667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.1125 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -2.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9667 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 0.6208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 9 2 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 10 1 0 0 0 0 18 17 1 0 0 0 0 18 15 1 0 0 0 0 13 14 2 0 0 0 0 M END > (S0985) S0985 > (S0985) 3-chloro-1-(4-methylbenzoyl)-2-azepanone > (S0985) - > (S0985) HA; HC > (S0985) true $$$$ -ISIS- 12091012012D 17 18 0 0 0 0 0 0 0 0999 V2000 3.5542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -0.4750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4375 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 1 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 8 7 2 0 0 0 0 16 17 2 0 0 0 0 M END > (S0986) S0986 > (S0986) 2-chloro-1-(4-phenoxyphenyl)-1-ethanone > (S0986) - > (S0986) HA > (S0986) true $$$$ -ISIS- 12091012012D 11 11 0 0 0 0 0 0 0 0999 V2000 3.7667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.7250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 10 1 0 0 0 0 10 1 1 0 0 0 0 11 8 1 0 0 0 0 6 8 1 0 0 0 0 M END > (S0987) S0987 > (S0987) 2-bromo-1-(4-methylphenyl)-1-ethanone > (S0987) 619-41-0 > (S0987) HA > (S0987) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 0.3625 -1.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2333 -2.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 16 19 2 0 0 0 0 17 4 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 8 2 0 0 0 0 24 10 2 0 0 0 0 25 13 2 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 20 16 1 0 0 0 0 7 21 1 0 0 0 0 25 27 1 0 0 0 0 M END > (S0990) S0990 > (S0990) 3-[4-(2-chlorophenoxy)phenylsulfonamido]benzoic acid > (S0990) 606944-47-2 > (S0990) AC; HA; BP; SA > (S0990) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.5417 -0.1375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5500 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -0.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 17 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 19 8 1 0 0 0 0 20 9 2 0 0 0 0 21 10 2 0 0 0 0 19 18 2 0 0 0 0 7 16 1 0 0 0 0 M END > (S0994) S0994 > (S0994) 3-(2,6-dichlorophenylsulfonamido)benzoic acid > (S0994) 613658-25-6 > (S0994) AC; HA; SA > (S0994) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.1292 -0.0667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9542 -0.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -2.5500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 10 2 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 12 1 0 0 0 0 15 3 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 15 2 0 0 0 0 19 9 2 0 0 0 0 20 18 1 0 0 0 0 20 12 2 0 0 0 0 7 16 1 0 0 0 0 M END > (S0995) S0995 > (S0995) 3-(3-chlorophenylsulfonamido)benzoic acid > (S0995) 749884-42-2 > (S0995) AC; HA; SA > (S0995) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.7917 0.3583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.1250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 3.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -2.5042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -2.9750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -1.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 3.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 11 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 12 6 1 0 0 0 0 13 12 1 0 0 0 0 14 7 2 0 0 0 0 15 4 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 15 2 0 0 0 0 20 7 1 0 0 0 0 21 10 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 12 2 0 0 0 0 10 2 2 0 0 0 0 11 22 1 0 0 0 0 M END > (S0997) S0997 > (S0997) 3-(4-chloro-3-trifluoromethylphenylsulfonamido)benzoic acid > (S0997) 612041-76-6 > (S0997) AC; FL; HA; SA > (S0997) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.1292 0.3458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1417 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -2.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 3.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -2.9625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 9 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 12 2 0 0 0 0 10 15 1 0 0 0 0 11 3 1 0 0 0 0 12 11 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 6 1 0 0 0 0 17 5 1 0 0 0 0 18 10 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 11 2 0 0 0 0 6 10 2 0 0 0 0 9 19 1 0 0 0 0 M END > (S0998) S0998 > (S0998) 3-(3-chloro-4-fluorophenylsulfonamido)benzoic acid > (S0998) 612043-03-5 > (S0998) AC; FL; HA; SA > (S0998) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 10.8542 -6.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7375 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4792 -5.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6667 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0542 -5.6625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0417 -7.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -5.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5917 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3042 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -3.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 3 5 1 0 0 0 0 10 12 2 0 0 0 0 M END > (S1521) S1521 > (S1521) 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine > (S1521) 19922-07-7 > (S1521) HA; HC > (S1521) 1,2,4-thiadiazol-5-amine, 3-(4-chlorophenyl)- > (S1521) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 1.3792 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.2458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 11 7 2 0 0 0 0 M END > (S1528) S1528 > (S1528) 2-(2-chlorophenoxy)-1-ethanamine > (S1528) 26378-53-0 > (S1528) HA > (S1528) 1-ethanamine, 2-(2-chlorophenoxy)- > (S1528) true $$$$ -ISIS- 07201111452D 13 14 0 0 0 0 0 0 0 0999 V2000 1.6375 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -0.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 12 1 0 0 0 0 10 3 2 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 5 7 2 0 0 0 0 11 13 2 0 0 0 0 M END > (S1565) S1565 > (S1565) 2-[3-(chloromethyl)phenyl]thiophene > (S1565) - > (S1565) HA; HC > (S1565) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -6.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 6 11 1 0 0 0 0 M END > (S1601) S1601 > (S1601) 3-(3-bromo-4-methoxyphenyl)propanoic acid > (S1601) 1857-57-4 > (S1601) AC; HA; PP > (S1601) true $$$$ -ISIS- 11270914432D 14 14 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 11 7 2 0 0 0 0 M END > (S1602) S1602 > (S1602) 3-(5-bromo-2-methoxyphenyl)propanoic acid > (S1602) 82547-30-6 > (S1602) AC; HA; PP > (S1602) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 9 2 0 0 0 0 10 11 2 0 0 0 0 M END > (S1603) S1603 > (S1603) 3-(2-bromophenyl)propanoic acid > (S1603) 15115-58-9 > (S1603) AC; HA; PP > (S1603) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 9 4 2 0 0 0 0 M END > (S1604) S1604 > (S1604) 3-(4-bromophenyl)propanoic acid > (S1604) 1643-30-7 > (S1604) AC; HA; PP > (S1604) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 4.9000 -6.6292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -6.3917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -6.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7125 -7.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 10 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 5 4 1 0 0 0 0 M END > (S1605) S1605 > (S1605) 3-(5-bromothien-2-yl)propanoic acid > (S1605) 900027-23-8 > (S1605) AC; HA; HC > (S1605) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 9 1 0 0 0 0 10 11 1 0 0 0 0 M END > (S1609) S1609 > (S1609) 3-(2-chlorophenyl)propanoic acid > (S1609) 1643-28-3 > (S1609) AC; HA; PP > (S1609) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -5.0125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 12 1 0 0 0 0 11 10 2 0 0 0 0 12 7 2 0 0 0 0 5 11 1 0 0 0 0 M END > (S1610) S1610 > (S1610) 3-(3-chlorophenyl)propanoic acid > (S1610) 21640-48-2 > (S1610) AC; HA; PP > (S1610) true $$$$ -ISIS- 11270914432D 12 12 0 0 0 0 0 0 0 0999 V2000 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 5 2 0 0 0 0 12 5 1 0 0 0 0 9 4 2 0 0 0 0 M END > (S1611) S1611 > (S1611) 3-(4-chlorophenyl)propanoic acid > (S1611) 2019-34-3 > (S1611) AC; HA; PP > (S1611) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1612) S1612 > (S1612) 3-(2-chloro-6-fluorophenyl)propanoic acid > (S1612) 88740-77-6 > (S1612) AC; FL; HA; PP > (S1612) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 9 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 8 12 2 0 0 0 0 M END > (S1613) S1613 > (S1613) 3-(2,4-dichlorophenyl)propanoic acid > (S1613) 55144-92-8 > (S1613) AC; HA; PP > (S1613) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -5.0250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -7.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 5 2 0 0 0 0 11 12 2 0 0 0 0 M END > (S1614) S1614 > (S1614) 3-(2,6-dichlorophenyl)propanoic acid > (S1614) 51656-68-9 > (S1614) AC; HA; PP > (S1614) true $$$$ -ISIS- 11270914432D 13 13 0 0 0 0 0 0 0 0999 V2000 4.0167 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -6.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -7.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0125 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -6.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -7.8750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -6.4375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -7.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0542 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 1 1 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 12 6 2 0 0 0 0 M END > (S1615) S1615 > (S1615) 3-(3,4-dichlorophenyl)propanoic acid > (S1615) 25173-68-6 > (S1615) AC; HA; PP > (S1615) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000