-ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -2.5208 2.4625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.5208 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 2.4625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 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 8 1 0 0 0 0 15 5 2 0 0 0 0 16 8 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 11 12 2 0 0 0 0 19 16 1 0 0 0 0 M END > (S0279) S0279 > (S0279) 4-(2-Methoxyphenoxy)benzenesulfonyl chloride > (S0279) none > (S0279) SC; BP > (S0279) Benzenesulfonyl chloride, 4-(2-methoxyphenoxy)- > (S0279) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1000 1.2833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.2833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -3.6792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 14 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 5 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 11 13 2 0 0 0 0 18 16 1 0 0 0 0 M END > (S0280) S0280 > (S0280) 4-(2-Chlorophenoxy)benzenesulfonyl chloride > (S0280) none > (S0280) HA; SC; BP > (S0280) Benzenesulfonyl chloride, 4-(2-chlorophenoxy)- > (S0280) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 1.5375 1.6333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5292 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.6333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 9 1 0 0 0 0 13 10 2 0 0 0 0 14 5 2 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 14 1 0 0 0 0 18 17 2 0 0 0 0 11 12 2 0 0 0 0 18 16 1 0 0 0 0 M END > (S0281) S0281 > (S0281) 4-(2-Methylphenoxy)benzenesulfonyl chloride > (S0281) none > (S0281) SC; BP > (S0281) Benzenesulfonyl chloride, 4-(2-methylphenoxy)- > (S0281) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.6042 1.8208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 10 6 2 0 0 0 0 14 16 1 0 0 0 0 M END > (S0290) S0290 > (S0290) 4'-Methyl[1,1'-biphenyl]-4-sulfonyl chloride > (S0290) 101366-51-2 > (S0290) SC; BP > (S0290) [1,1'-Biphenyl]-4-sulfonyl chloride, 4'-methyl- > (S0290) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.1750 1.9583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 2.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.2458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.9292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 10 6 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0292) S0292 > (S0292) 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride > (S0292) 116748-66-4 > (S0292) FL; SC; BP > (S0292) [1,1'-Biphenyl]-4-sulfonyl chloride, 4'-fluoro- > (S0292) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.0875 -0.6292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 10 6 2 0 0 0 0 15 14 1 0 0 0 0 M END > (S0293) S0293 > (S0293) 4'-Methoxy[1,1'-biphenyl]-4-sulfonyl chloride > (S0293) 202752-04-3 > (S0293) SC; BP > (S0293) [1,1'-Biphenyl]-4-sulfonyl chloride, 4'-methoxy- > (S0293) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.2917 1.9708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5792 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.2583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.7208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 3 2 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 16 1 0 0 0 0 9 14 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 2 2 0 0 0 0 13 2 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 4 1 0 0 0 0 18 9 1 0 0 0 0 15 8 2 0 0 0 0 9 4 2 0 0 0 0 M END > (S0294) S0294 > (S0294) 3',4'-Dichloro[1,1'-biphenyl]-4-sulfonyl chloride > (S0294) 501697-80-9 > (S0294) SC; BP > (S0294) [1,1'-Biphenyl]-4-sulfonyl chloride, 3',4'-dichloro- > (S0294) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.4500 1.8958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7292 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 1.1833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 8 1 0 0 0 0 14 5 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 11 6 2 0 0 0 0 16 13 2 0 0 0 0 M END > (S0298) S0298 > (S0298) 3'-Methyl[1,1'-biphenyl]-4-sulfonyl chloride > (S0298) 186551-47-3 > (S0298) SC; BP > (S0298) [1,1'-Biphenyl]-4-sulfonyl chloride, 3'-methyl- > (S0298) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1917 1.8958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 1.1833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 5 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 11 6 2 0 0 0 0 17 13 2 0 0 0 0 M END > (S0299) S0299 > (S0299) 3'-Methoxy[1,1'-biphenyl]-4-sulfonyl chloride > (S0299) 186550-26-5 > (S0299) SC; BP > (S0299) [1,1'-Biphenyl]-4-sulfonyl chloride, 3'-methoxy- > (S0299) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 13 14 2 0 0 0 0 11 9 2 0 0 0 0 M END > (S0388) S0388 > (S0388) 4'-Methyl[1,1'-biphenyl]-4-carbaldehyde > (S0388) 36393-42-7 > (S0388) AK; BP > (S0388) [1,1'-Biphenyl]-4-carboxaldehyde, 4'-methyl- > (S0388) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.4542 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 12 9 2 0 0 0 0 14 10 2 0 0 0 0 M END > (S0389) S0389 > (S0389) 4'-Chloro[1,1'-biphenyl]-4-carbaldehyde > (S0389) 80565-30-6 > (S0389) AK; HA; BP > (S0389) [1,1'-Biphenyl]-4-carboxaldehyde, 4'-chloro- > (S0389) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.3250 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 6 2 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 12 9 2 0 0 0 0 14 10 2 0 0 0 0 M END > (S0390) S0390 > (S0390) 4'-Fluoro[1,1'-biphenyl]-4-carbaldehyde > (S0390) 60992-98-5 > (S0390) AK; FL; BP > (S0390) [1,1'-Biphenyl]-4-carboxaldehyde, 4'-fluoro- > (S0390) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.9625 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9625 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 -0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 3 1 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 14 10 2 0 0 0 0 12 9 2 0 0 0 0 M END > (S0391) S0391 > (S0391) 4'-Methoxy[1,1'-biphenyl]-4-carbaldehyde > (S0391) 52988-34-8 > (S0391) AK; BP > (S0391) [1,1'-Biphenyl]-4-carboxaldehyde, 4'-methoxy- > (S0391) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.4500 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.0833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 12 2 0 0 0 0 11 2 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 14 5 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 2 5 2 0 0 0 0 16 13 2 0 0 0 0 M END > (S0392) S0392 > (S0392) 3',4'-Dichloro[1,1'-biphenyl]-4-carbaldehyde > (S0392) 50670-78-5 > (S0392) AK; HA; BP > (S0392) [1,1'-Biphenyl]-4-carboxaldehyde, 3',4'-dichloro- > (S0392) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.4417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.0208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9875 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 8 3 1 0 0 0 0 9 10 1 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 8 15 2 0 0 0 0 11 9 2 0 0 0 0 M END > (S0393) S0393 > (S0393) 3'-Chloro[1,1'-biphenyl]-4-carbaldehyde > (S0393) 400744-49-2 > (S0393) AK; HA; BP > (S0393) [1,1'-Diphenyl]-4-carboxaldehyde, 3'-chloro- > (S0393) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.4500 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 15 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 5 7 2 0 0 0 0 16 12 2 0 0 0 0 M END > (S0394) S0394 > (S0394) 3',5'-Dichloro[1,1'-biphenyl]-4-carbaldehyde > (S0394) 221018-04-8 > (S0394) AK; HA; BP > (S0394) [1,1'-Biphenyl]-4-carboxaldehyde, 3',5'-dichloro- > (S0394) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4583 1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7375 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 1.8458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.6083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.6083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 10 2 0 0 0 0 15 9 1 0 0 0 0 16 2 2 0 0 0 0 17 18 2 0 0 0 0 18 16 1 0 0 0 0 17 4 1 0 0 0 0 15 13 2 0 0 0 0 M END > (S0395) S0395 > (S0395) 3'-(Trifluoromethyl)[1,1'-biphenyl]-4-carbaldehyde > (S0395) 100036-64-4 > (S0395) AK; FL; BP > (S0395) [1,1'-Biphenyl]-4-carboxaldehyde, 3'-(trifluoromethyl)- > (S0395) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 0.6042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 1 1 0 0 0 0 13 12 2 0 0 0 0 14 13 1 0 0 0 0 15 9 1 0 0 0 0 9 14 2 0 0 0 0 11 8 2 0 0 0 0 M END > (S0396) S0396 > (S0396) 3'-Methyl[1,1'-biphenyl]-4-carbaldehyde > (S0396) 400744-83-4 > (S0396) AK; BP > (S0396) [1,1'-Biphenyl]-4-carboxaldehyde, 3'-methyl- > (S0396) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 0.3417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 5 2 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 1 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 9 15 2 0 0 0 0 11 8 2 0 0 0 0 M END > (S0397) S0397 > (S0397) 3'-Methoxy[1,1'-biphenyl]-4-carbaldehyde > (S0397) 209863-09-2 > (S0397) AK; BP > (S0397) [1,1'-Biphenyl]-4-carboxaldehyde, 3'-methoxy- > (S0397) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.3000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 2.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 10 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 4 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 13 15 2 0 0 0 0 11 5 2 0 0 0 0 M END > (S0402) S0402 > (S0402) 4-(2-Chlorophenoxy)aniline > (S0402) 56705-85-2 > (S0402) AM; HA; BP > (S0402) Benzenamine, 4-(2-chlorophenoxy)- > (S0402) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 -0.0250 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 9 2 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 13 16 2 0 0 0 0 10 5 1 0 0 0 0 M END > (S0403) S0403 > (S0403) 4-(2-Methoxyphenoxy)aniline > (S0403) 13066-01-8 > (S0403) AM; BP > (S0403) Benzenamine, 4-(2-methoxyphenoxy)- > (S0403) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.6042 2.9125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6125 2.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 3.3208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9375 3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 10 2 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 2 0 0 0 0 16 15 1 0 0 0 0 9 8 1 0 0 0 0 14 16 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S0404) S0404 > (S0404) 1-Nitro-4-phenoxybenzene > (S0404) 620-88-2 > (S0404) BP; NT > (S0404) Benzene, 1-nitro-4-phenoxy- > (S0404) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 2.9167 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 7 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 8 7 2 0 0 0 0 16 15 1 0 0 0 0 M END > (S0405) S0405 > (S0405) 1-(4-Phenoxyphenyl)-1-ethanone > (S0405) 5031-78-7 > (S0405) AK; BP > (S0405) 1-Ethanone, 1-(4-phenoxyphenyl)- > (S0405) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 1.4667 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 1.6250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 8 1 0 0 0 0 8 5 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 15 2 0 0 0 0 4 7 2 0 0 0 0 16 14 1 0 0 0 0 M END > (S0409) S0409 > (S0409) 4-Amino[1,1'-biphenyl]-3-carboxylic acid > (S0409) 4445-40-3 > (S0409) AC; AM; BP > (S0409) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino- > (S0409) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.2875 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 8 11 1 0 0 0 0 17 16 2 0 0 0 0 M END > (S0410) S0410 > (S0410) 2-Amino-5-phenoxybenzoic acid > (S0410) 22071-39-2 > (S0410) AC; AM; BP > (S0410) Benzoic acid, 2-amino-5-phenoxy- > (S0410) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 2.3000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 14 1 0 0 0 0 18 15 2 0 0 0 0 19 18 1 0 0 0 0 10 13 1 0 0 0 0 16 19 2 0 0 0 0 M END > (S0411) S0411 > (S0411) 2-Amino-5-(2-methoxyphenoxy)benzoic acid > (S0411) 885267-99-2 > (S0411) AC; AM; BP > (S0411) Benzoic acid, 2-amino-5-(2-methoxyphenoxy)- > (S0411) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3042 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1625 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 10 13 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0412) S0412 > (S0412) 2-Amino-5-(2-chlorophenoxy)benzoic acid > (S0412) 117297-54-8 > (S0412) AC; AM; HA; BP > (S0412) Benzoic acid, 2-amino-5-(2-chlorophenoxy)- > (S0412) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3042 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2750 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 7 2 0 0 0 0 14 6 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 17 14 2 0 0 0 0 18 17 1 0 0 0 0 10 13 1 0 0 0 0 16 18 2 0 0 0 0 M END > (S0413) S0413 > (S0413) 2-Amino-5-(2-methylphenoxy)benzoic acid > (S0413) 885268-00-8 > (S0413) AC; AM; BP > (S0413) Benzoic acid, 2-amino-5-(2-methylphenoxy)- > (S0413) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.7500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 1.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 10 2 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 8 4 1 0 0 0 0 14 16 1 0 0 0 0 M END > (S0505) S0505 > (S0505) 4-Amino-4'-methyl-1,1'-biphenyl-3-carboxylic acid > (S0505) 192323-70-9 > (S0505) AC; AM; BP > (S0505) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methyl- > (S0505) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5750 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0508) S0508 > (S0508) 4-Amino-4'-chloro-1,1'-biphenyl-3-carboxylic acid > (S0508) 885268-18-8 > (S0508) AC; AM; HA; BP > (S0508) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-chloro- > (S0508) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.1750 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.9875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 1 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 8 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0509) S0509 > (S0509) 4'-Fluoro-1,1'-biphenyl-4-carboxylic acid > (S0509) 5731-10-2 > (S0509) AC; FL; BP > (S0509) [1,1'-Biphenyl]-4-carboxylic acid, 4'-fluoro- > (S0509) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.4750 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0512) S0512 > (S0512) 4-Amino-4'-fluoro-1,1'-biphenyl-3-carboxylic acid > (S0512) 885268-20-2 > (S0512) AC; AM; FL; BP > (S0512) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-fluoro- > (S0512) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.8000 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 1 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 17 16 1 0 0 0 0 8 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0513) S0513 > (S0513) 4'-Methoxy-1,1'-biphenyl-4-carboxylic acid > (S0513) 725-14-4 > (S0513) AC; BP > (S0513) [1,1'-Biphenyl]-4-carboxylic acid, 4'-methoxy- > (S0513) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.1042 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8125 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6625 2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 16 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 8 4 1 0 0 0 0 15 14 1 0 0 0 0 M END > (S0516) S0516 > (S0516) 4-Amino-4'-methoxy-1,1'-biphenyl-3-carboxylic acid > (S0516) 861389-72-2 > (S0516) AC; AM; BP > (S0516) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-4'-methoxy- > (S0516) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.2875 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.6458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 14 2 0 0 0 0 7 12 1 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 9 2 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 1 1 0 0 0 0 17 7 1 0 0 0 0 13 6 1 0 0 0 0 3 7 2 0 0 0 0 M END > (S0517) S0517 > (S0517) 3',4'-Dichloro-1,1'-biphenyl-4-carboxylic acid > (S0517) 7111-64-0 > (S0517) AC; HA; BP > (S0517) [1,1'-Biphenyl]-4-carboxylic acid, 3',4'-dichloro- > (S0517) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.5792 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.5792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 14 1 0 0 0 0 10 3 2 0 0 0 0 11 13 2 0 0 0 0 12 5 1 0 0 0 0 13 7 1 0 0 0 0 14 12 2 0 0 0 0 15 6 1 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 9 1 0 0 0 0 11 4 1 0 0 0 0 6 9 2 0 0 0 0 M END > (S0521) S0521 > (S0521) 4-Amino-3',4'-dichloro-1,1'-biphenyl-3-carboxylic acid > (S0521) 885268-22-4 > (S0521) BP > (S0521) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3',4'-dichloro- > (S0521) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.2667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 0.5750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 1 1 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 9 4 1 0 0 0 0 11 16 2 0 0 0 0 M END > (S0522) S0522 > (S0522) 3'-Chloro-1,1'-biphenyl-4-carboxylic acid > (S0522) 5728-43-8 > (S0522) AC; HA; BP > (S0522) [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro- > (S0522) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.5750 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.9958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 9 4 1 0 0 0 0 13 17 2 0 0 0 0 M END > (S0525) S0525 > (S0525) 4-Amino-3'-chloro-1,1'-biphenyl-3-carboxylic acid > (S0525) 885268-24-6 > (S0525) HA; BP > (S0525) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-chloro- > (S0525) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.5792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 2.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.9917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 3 2 0 0 0 0 13 14 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 13 5 1 0 0 0 0 9 11 2 0 0 0 0 M END > (S0529) S0529 > (S0529) 4-Amino-3',5'-dichloro-1,1'-biphenyl-3-carboxylic acid > (S0529) 885268-26-8 > (S0529) AC; AM; HA; BP > (S0529) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3',5'-dichloro- > (S0529) true $$$$ -ISIS- 11270914432D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.4458 0.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7250 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.4083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 4 2 0 0 0 0 6 13 2 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 14 7 1 0 0 0 0 15 7 2 0 0 0 0 16 3 1 0 0 0 0 17 2 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 18 5 1 0 0 0 0 12 6 1 0 0 0 0 M END > (S0530) S0530 > (S0530) 3'-(Trifluoromethyl)-1,1'-biphenyl-4-carboxylic acid > (S0530) 195457-70-6 > (S0530) AC; FL; BP > (S0530) [1,1'-Biphenyl]-4-carboxylic acid, 3'-(trifluoromethyl)- > (S0530) true $$$$ -ISIS- 11270914432D 20 21 0 0 0 0 0 0 0 0999 V2000 2.8250 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.5750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.8208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 7 1 0 0 0 0 18 20 1 0 0 0 0 19 9 1 0 0 0 0 20 19 2 0 0 0 0 11 5 1 0 0 0 0 18 6 2 0 0 0 0 M END > (S0533) S0533 > (S0533) 4-Amino-3'-(trifluoromethyl)-1,1'-biphenyl-3-carboxylic acid > (S0533) 885268-28-0 > (S0533) AC; AM; FL; BP > (S0533) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-(trifluoromethyl)- > (S0533) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.4542 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 9 4 1 0 0 0 0 12 15 2 0 0 0 0 M END > (S0534) S0534 > (S0534) 3'-Methyl-1,1'-biphenyl-4-carboxylic acid > (S0534) 5278-33-6 > (S0534) AC; BP > (S0534) [1,1'-Biphenyl]-4-carboxylic acid, 3'-methyl- > (S0534) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.7542 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 6 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 9 4 1 0 0 0 0 13 16 2 0 0 0 0 M END > (S0537) S0537 > (S0537) 4-Amino-3'-methyl-1,1'-biphenyl-3-carboxylic acid > (S0537) 885268-30-4 > (S0537) AC; AM; BP > (S0537) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-methyl- > (S0537) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 3.1792 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 2.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 14 2 1 0 0 0 0 15 14 2 0 0 0 0 16 15 1 0 0 0 0 17 13 1 0 0 0 0 9 4 1 0 0 0 0 12 16 2 0 0 0 0 M END > (S0538) S0538 > (S0538) 3'-Methoxy-1,1'-biphenyl-4-carboxylic acid > (S0538) 5783-36-8 > (S0538) AC; BP > (S0538) [1,1'-Biphenyl]-4-carboxylic acid, 3'-methoxy- > (S0538) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4667 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 6 2 0 0 0 0 9 10 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 6 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 9 4 1 0 0 0 0 13 17 2 0 0 0 0 M END > (S0539) S0539 > (S0539) 4-Amino-3'-methoxy-1,1'-biphenyl-3-carboxylic acid > (S0539) 438190-81-9 > (S0539) AC; AM; BP > (S0539) [1,1'-Biphenyl]-3-carboxylic acid, 4-amino-3'-methoxy- > (S0539) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 3.2667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 9 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 1 1 0 0 0 0 13 14 2 0 0 0 0 14 11 1 0 0 0 0 15 10 2 0 0 0 0 16 13 1 0 0 0 0 8 3 1 0 0 0 0 15 13 1 0 0 0 0 M END > (S0552) S0552 > (S0552) 4'-Chloro-1,1'-biphenyl-4-carboxylic acid > (S0552) 5748-41-4 > (S0552) AC; HA; BP > (S0552) [1,1'-Biphenyl]-4-carboxylic acid, 4'-chloro- > (S0552) true $$$$ -ISIS- 11270914432D 16 17 0 0 0 0 0 0 0 0999 V2000 2.8292 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.1583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 8 3 2 0 0 0 0 15 16 1 0 0 0 0 M END > (S0628) S0628 > (S0628) 1-[1,1'-biphenyl]-4-yl-2-bromo-1-ethanone > (S0628) 135-73-9 > (S0628) AK; HA; BP > (S0628) 2-bromo-4'-phenylacetophenone > (S0628) true $$$$ -ISIS- 11270914432D 17 18 0 0 0 0 0 0 0 0999 V2000 2.8042 0.6208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0875 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.1042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 2.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 3.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 16 2 0 0 0 0 9 11 2 0 0 0 0 17 15 1 0 0 0 0 M END > (S0678) S0678 > (S0678) 4-phenoxybenzenesulfonyl chloride > (S0678) 1623-92-3 > (S0678) SC; BP > (S0678) benzenesulfonyl chloride, 4-phenoxy- > (S0678) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 3.9542 2.2583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.9542 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 2.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 2.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 5.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 4.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 14 2 0 0 0 0 8 4 2 0 0 0 0 9 16 1 0 0 0 0 10 9 1 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 2 1 0 0 0 0 14 20 1 0 0 0 0 15 19 2 0 0 0 0 16 21 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 13 1 0 0 0 0 20 13 2 0 0 0 0 21 12 1 0 0 0 0 22 11 2 0 0 0 0 23 17 2 0 0 0 0 24 25 1 0 0 0 0 25 10 2 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 16 22 1 0 0 0 0 7 15 1 0 0 0 0 26 23 1 0 0 0 0 M END > (S0777) S0777 > (S0777) 4-({[4-(3-methylphenoxy)phenyl]sulfonyl}amino)benzoic acid > (S0777) none > (S0777) AC; BP; SA > (S0777) benzoic acid, 4-[[[4-(3-methylphenoxy)phenyl]sulfonyl]amino]- > (S0777) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 4.7667 -0.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -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 6.4292 -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 1.1917 -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 4.7750 -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 0.4542 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.7667 0.0000 C 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 2.6167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.9292 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 4.7750 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -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 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 22 1 0 0 0 0 15 23 2 0 0 0 0 16 20 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 13 1 0 0 0 0 21 12 2 0 0 0 0 22 19 2 0 0 0 0 23 19 1 0 0 0 0 24 7 2 0 0 0 0 25 11 1 0 0 0 0 26 11 2 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 16 21 1 0 0 0 0 9 14 2 0 0 0 0 26 28 1 0 0 0 0 M END > (S0778) S0778 > (S0778) 4-[({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)methyl]benzoic acid > (S0778) none > (S0778) AC; BP; SA > (S0778) benzoic acid, 4-[[[[4-(2-methylphenoxy)phenyl]sulfonyl]amino]methyl]- > (S0778) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8167 -3.4792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6417 -3.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 16 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 8 2 0 0 0 0 19 11 1 0 0 0 0 20 11 2 0 0 0 0 21 18 1 0 0 0 0 22 21 2 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 M END > (S0779) S0779 > (S0779) 2-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)acetic acid > (S0779) none > (S0779) BP; AA; SA > (S0779) glycine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0779) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 1.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 2.3083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5542 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 16 2 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 3 1 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0780) S0780 > (S0780) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}alanine > (S0780) none > (S0780) BP; AA; SA > (S0780) alanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0780) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0042 1.0125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.1583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7250 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 24 2 0 0 0 0 15 18 1 0 0 0 0 21 25 1 0 0 0 0 M END > (S0781) S0781 > (S0781) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}valine > (S0781) none > (S0781) BP; AA; SA > (S0781) valine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0781) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.4625 0.2958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0375 0.2958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7417 0.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -1.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -3.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -1.3542 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 18 2 0 0 0 0 15 4 1 0 0 0 0 16 2 1 0 0 0 0 17 2 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 8 2 0 0 0 0 21 11 1 0 0 0 0 22 11 2 0 0 0 0 23 16 1 0 0 0 0 24 17 1 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 14 19 1 0 0 0 0 23 27 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0782) S0782 > (S0782) 1-({[4-(2-methylphenoxy)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid > (S0782) none > (S0782) AC; BP; SA > (S0782) cyclohexanecarboxylic acid, 1-[[[4-(2-methylphenoxy)phenyl]sulfonyl]amino]- > (S0782) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 8 2 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 19 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 22 26 1 0 0 0 0 M END > (S0783) S0783 > (S0783) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}leucine > (S0783) none > (S0783) BP; AA; SA > (S0783) leucine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0783) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.7417 0.8708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0167 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 11 1 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0784) S0784 > (S0784) methyl-N-{[4-(2-methylphenoxy)phenyl]sulfonyl}homocysteine > (S0784) none > (S0784) BP; AA; SA > (S0784) homocysteine, S-methyl-N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0784) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 0.9417 -2.6375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -3.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4250 -3.0167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -2.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 14 1 0 0 0 0 21 8 2 0 0 0 0 22 11 1 0 0 0 0 23 11 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 15 19 1 0 0 0 0 20 17 1 0 0 0 0 23 25 1 0 0 0 0 M END > (S0785) S0785 > (S0785) 1-{[4-(2-methylphenoxy)phenyl]sulfonyl}proline > (S0785) none > (S0785) BP; AA; SA > (S0785) proline, 1-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0785) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 1.5667 1.6083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9667 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.1708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7167 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -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 18 2 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 13 2 0 0 0 0 20 8 2 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 17 1 0 0 0 0 24 17 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 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 > (S0786) S0786 > (S0786) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}phenylalanine > (S0786) none > (S0786) BP; AA; SA > (S0786) phenylalanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0786) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 1.7667 0.1708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2750 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 5 2 0 0 0 0 11 6 1 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 17 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 6 2 0 0 0 0 20 11 1 0 0 0 0 21 11 2 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 18 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0787) S0787 > (S0787) N-{[4-(2-methylphenoxy)phenyl]sulfonyl}-beta-alanine > (S0787) none > (S0787) BP; AA; SA > (S0787) beta-alanine, N-[[4-(2-methylphenoxy)phenyl]sulfonyl]- > (S0787) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.0542 1.7458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 1.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 3.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 9 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 2 1 0 0 0 0 15 21 2 0 0 0 0 16 20 1 0 0 0 0 17 23 2 0 0 0 0 18 4 1 0 0 0 0 19 11 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 12 2 0 0 0 0 23 13 1 0 0 0 0 24 7 2 0 0 0 0 25 11 2 0 0 0 0 26 24 1 0 0 0 0 27 26 2 0 0 0 0 17 22 1 0 0 0 0 9 16 2 0 0 0 0 25 27 1 0 0 0 0 M END > (S0788) S0788 > (S0788) 4-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)benzoic acid > (S0788) none > (S0788) AC; HA; BP; SA > (S0788) benzoic acid, 4-[[[4-(2-chlorophenoxy)phenyl]sulfonyl]amino]- > (S0788) true $$$$ -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 $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.8125 -3.4750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6375 -3.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -4.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 1.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 18 2 0 0 0 0 15 10 1 0 0 0 0 16 5 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 14 17 1 0 0 0 0 20 22 1 0 0 0 0 M END > (S0790) S0790 > (S0790) 2-({[4-(2-chlorophenoxy)phenyl]sulfonyl}amino)acetic acid > (S0790) none > (S0790) HA; BP; AA; SA > (S0790) glycine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0790) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.9625 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.5375 1.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 2.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7750 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 3.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.4417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 18 2 0 0 0 0 15 4 1 0 0 0 0 16 11 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 3 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 21 23 1 0 0 0 0 M END > (S0791) S0791 > (S0791) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}alanine > (S0791) none > (S0791) HA; BP; AA; SA > (S0791) alanine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0791) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 4.0042 0.9500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 0.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1792 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 1.6625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7250 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 14 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 20 1 0 0 0 0 25 24 2 0 0 0 0 15 18 1 0 0 0 0 21 25 1 0 0 0 0 M END > (S0792) S0792 > (S0792) N-{[4-(2-chlorophenoxy)phenyl]sulfonyl}valine > (S0792) none > (S0792) HA; BP; AA; SA > (S0792) valine, N-[[4-(2-chlorophenoxy)phenyl]sulfonyl]- > (S0792) true $$$$ -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 28 30 0 0 0 0 0 0 0 0999 V2000 4.0542 1.7833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 0.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 2.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 3.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0167 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6042 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 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 16 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 2 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 18 4 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 13 1 0 0 0 0 22 12 2 0 0 0 0 23 11 1 0 0 0 0 24 7 2 0 0 0 0 25 11 2 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 27 2 0 0 0 0 17 22 1 0 0 0 0 15 9 1 0 0 0 0 25 28 1 0 0 0 0 M END > (S0799) S0799 > (S0799) 4-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)benzoic acid > (S0799) none > (S0799) AC; BP; SA > (S0799) benzoic acid, 4-[[[4-(2-methoxyphenoxy)phenyl]sulfonyl]amino]- > (S0799) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 4.7667 -0.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 0.1000 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 6.4292 -3.5000 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 1.1917 -4.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -2.2750 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 -2.7750 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 0.4542 -3.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.0542 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 3.3292 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -5.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6667 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 -4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -5.6542 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 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 22 1 0 0 0 0 15 23 2 0 0 0 0 16 20 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 13 1 0 0 0 0 21 12 2 0 0 0 0 22 19 2 0 0 0 0 23 19 1 0 0 0 0 24 11 1 0 0 0 0 25 7 2 0 0 0 0 26 11 2 0 0 0 0 27 24 1 0 0 0 0 28 25 1 0 0 0 0 29 28 2 0 0 0 0 16 21 1 0 0 0 0 9 14 2 0 0 0 0 26 29 1 0 0 0 0 M END > (S0800) S0800 > (S0800) 4-[({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)methyl]benzoic acid > (S0800) none > (S0800) AC; BP; SA > (S0800) benzoic acid, 4-[[[[4-(2-methoxyphenoxy)phenyl]sulfonyl]amino]methyl]- > (S0800) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 2.7792 -3.4667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.6042 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -3.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 5 2 0 0 0 0 12 3 1 0 0 0 0 13 3 2 0 0 0 0 14 16 2 0 0 0 0 15 5 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 10 1 0 0 0 0 19 8 2 0 0 0 0 20 10 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 14 17 1 0 0 0 0 20 23 1 0 0 0 0 M END > (S0801) S0801 > (S0801) 2-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)acetic acid > (S0801) none > (S0801) BP; AA; SA > (S0801) glycine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0801) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 2.5750 0.8583 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 14 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 16 2 0 0 0 0 15 4 1 0 0 0 0 16 13 1 0 0 0 0 17 12 2 0 0 0 0 18 11 1 0 0 0 0 19 3 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 14 17 1 0 0 0 0 21 24 1 0 0 0 0 M END > (S0802) S0802 > (S0802) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}alanine > (S0802) none > (S0802) BP; AA; SA > (S0802) alanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0802) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 3.7542 0.9458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 0.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 3.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 1.6583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -4.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 11 1 0 0 0 0 20 8 2 0 0 0 0 21 11 2 0 0 0 0 22 12 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 25 2 0 0 0 0 15 18 1 0 0 0 0 21 26 1 0 0 0 0 M END > (S0803) S0803 > (S0803) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}valine > (S0803) none > (S0803) BP; AA; SA > (S0803) valine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0803) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 4.4792 0.2625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.0542 0.2708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7625 0.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -1.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 1.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7792 -2.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0542 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7750 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.3875 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 18 2 0 0 0 0 15 4 1 0 0 0 0 16 2 1 0 0 0 0 17 2 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 11 1 0 0 0 0 21 8 2 0 0 0 0 22 11 2 0 0 0 0 23 20 1 0 0 0 0 24 17 1 0 0 0 0 25 16 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 24 1 0 0 0 0 14 19 1 0 0 0 0 25 28 1 0 0 0 0 22 27 1 0 0 0 0 M END > (S0804) S0804 > (S0804) 1-({[4-(2-methoxyphenoxy)phenyl]sulfonyl}amino)cyclohexanecarboxylic acid > (S0804) none > (S0804) AC; BP; SA > (S0804) cyclohexanecarboxylic acid, 1-[[[4-(2-methoxyphenoxy)phenyl]sulfonyl]amino]- > (S0804) true $$$$ -ISIS- 11270914432D 27 28 0 0 0 0 0 0 0 0999 V2000 2.5750 0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0125 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4875 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 12 1 0 0 0 0 20 10 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 15 18 1 0 0 0 0 22 27 1 0 0 0 0 M END > (S0805) S0805 > (S0805) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}leucine > (S0805) none > (S0805) BP; AA; SA > (S0805) leucine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0805) true $$$$ -ISIS- 11270914432D 27 28 0 0 0 0 0 0 0 0999 V2000 2.5667 0.8625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8500 0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1125 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -3.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -4.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 3 1 0 0 0 0 15 17 2 0 0 0 0 16 4 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 21 1 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 15 18 1 0 0 0 0 23 27 1 0 0 0 0 M END > (S0806) S0806 > (S0806) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}(methyl)homocysteine > (S0806) none > (S0806) BP; AA; SA > (S0806) homocysteine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]-S-methyl- > (S0806) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 0.9292 -2.6917 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3625 -3.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4333 -3.0750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7458 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -3.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -2.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 15 1 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 2 1 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 8 2 0 0 0 0 23 11 2 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 15 19 1 0 0 0 0 21 17 1 0 0 0 0 23 26 1 0 0 0 0 M END > (S0807) S0807 > (S0807) 1-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}proline > (S0807) none > (S0807) BP; AA; SA > (S0807) proline, 1-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0807) true $$$$ -ISIS- 11270914432D 30 32 0 0 0 0 0 0 0 0999 V2000 1.3917 1.6208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.2667 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 2.8500 3.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 5.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.6917 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 18 2 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 19 13 2 0 0 0 0 20 12 1 0 0 0 0 21 8 2 0 0 0 0 22 12 2 0 0 0 0 23 17 1 0 0 0 0 24 17 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 26 2 0 0 0 0 28 23 2 0 0 0 0 29 24 1 0 0 0 0 30 29 2 0 0 0 0 15 19 1 0 0 0 0 28 30 1 0 0 0 0 22 27 1 0 0 0 0 M END > (S0808) S0808 > (S0808) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}phenylalanine > (S0808) none > (S0808) BP; AA; SA > (S0808) phenylalanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0808) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.5875 0.1750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0042 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1625 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 6 1 0 0 0 0 11 5 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 17 2 0 0 0 0 15 7 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 12 2 0 0 0 0 19 10 1 0 0 0 0 20 6 2 0 0 0 0 21 10 2 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 23 2 0 0 0 0 14 18 1 0 0 0 0 21 24 1 0 0 0 0 M END > (S0809) S0809 > (S0809) N-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}-beta-alanine > (S0809) none > (S0809) BP; AA; SA > (S0809) beta-alanine, N-[[4-(2-methoxyphenoxy)phenyl]sulfonyl]- > (S0809) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 1.9792 0.6333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.9792 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 3.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 2.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 14 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 2 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 4 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 10 1 0 0 0 0 20 9 2 0 0 0 0 21 12 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 15 20 1 0 0 0 0 7 13 1 0 0 0 0 24 26 2 0 0 0 0 M END > (S0886) S0886 > (S0886) 4-{[(4-phenoxyphenyl)sulfonyl]amino}benzoic acid > (S0886) 302603-63-0 > (S0886) AC; BP; SA > (S0886) benzoic acid, 4-[[(4-phenoxyphenyl)sulfonyl]amino]- > (S0886) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.8250 2.6333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.1125 2.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 3.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 4.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 3.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3875 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8500 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 13 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 15 1 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 14 2 1 0 0 0 0 15 18 2 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 10 1 0 0 0 0 19 9 2 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 11 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 27 26 1 0 0 0 0 15 19 1 0 0 0 0 12 7 2 0 0 0 0 25 27 2 0 0 0 0 M END > (S0887) S0887 > (S0887) 4-({[(4-phenoxyphenyl)sulfonyl]amino}methyl)benzoic acid > (S0887) 885269-05-6 > (S0887) AC; BP; SA > (S0887) benzoic acid, 4-[[[(4-phenoxyphenyl)sulfonyl]amino]methyl]- > (S0887) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 4.9250 -1.1292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7500 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -0.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -1.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 5 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 16 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 12 15 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0888) S0888 > (S0888) 2-{[(4-phenoxyphenyl)sulfonyl]amino}acetic acid > (S0888) 885269-07-8 > (S0888) BP; AA; SA > (S0888) glycine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0888) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 2.5042 -2.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7917 -2.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -2.5292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0750 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5417 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 16 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 12 15 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0889) S0889 > (S0889) N-[(4-phenoxyphenyl)sulfonyl]alanine > (S0889) BP; AA; SA > (S0889) alanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0889) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 1.8792 -1.3417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1167 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 13 16 1 0 0 0 0 22 24 2 0 0 0 0 M END > (S0890) S0890 > (S0890) N-[(4-phenoxyphenyl)sulfonyl]valine > (S0890) BP; AA; SA > (S0890) valine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0890) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 3.0542 -2.6167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4792 -2.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8292 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -1.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -3.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 13 4 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 10 1 0 0 0 0 17 9 2 0 0 0 0 18 11 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 12 17 1 0 0 0 0 21 25 1 0 0 0 0 23 26 2 0 0 0 0 M END > (S0891) S0891 > (S0891) 1-{[(4-phenoxyphenyl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0891) 885269-09-0 > (S0891) AC; BP; SA > (S0891) cyclohexanecarboxylic acid, 1-[[(4-phenoxyphenyl)sulfonyl]amino]- > (S0891) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.4875 -1.8042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -2.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0792 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 4 2 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 24 1 0 0 0 0 13 16 1 0 0 0 0 23 25 2 0 0 0 0 M END > (S0892) S0892 > (S0892) N-[(4-phenoxyphenyl)sulfonyl]leucine > (S0892) BP; AA; SA > (S0892) leucine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0892) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 2.4875 -1.4417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7667 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0500 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 0.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.8625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 15 2 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 19 1 0 0 0 0 19 12 1 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 25 24 1 0 0 0 0 13 16 1 0 0 0 0 23 25 2 0 0 0 0 M END > (S0893) S0893 > (S0893) methyl-N-[(4-phenoxyphenyl)sulfonyl]homocysteine > (S0893) BP; AA; SA > (S0893) homocysteine, S-methyl-N-[(4-phenoxyphenyl)sulfonyl]- > (S0893) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 3.8917 -2.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -2.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2625 -2.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5625 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 13 1 0 0 0 0 12 2 1 0 0 0 0 13 17 2 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 9 2 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 13 16 1 0 0 0 0 19 15 1 0 0 0 0 22 24 2 0 0 0 0 M END > (S0894) S0894 > (S0894) 1-[(4-phenoxyphenyl)sulfonyl]proline > (S0894) BP; AA; SA > (S0894) proline, 1-[(4-phenoxyphenyl)sulfonyl]- > (S0894) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 1.2167 -0.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.6167 -1.5417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.2542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -3.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6583 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 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 4 2 0 0 0 0 10 5 1 0 0 0 0 11 5 2 0 0 0 0 12 13 1 0 0 0 0 13 16 2 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 20 1 0 0 0 0 24 19 2 0 0 0 0 25 21 1 0 0 0 0 26 22 2 0 0 0 0 27 23 2 0 0 0 0 28 26 1 0 0 0 0 13 17 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 M END > (S0895) S0895 > (S0895) N-[(4-phenoxyphenyl)sulfonyl]phenylalanine > (S0895) BP; AA; SA > (S0895) phenylalanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0895) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 1.3875 -2.9375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -5.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -6.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -4.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -5.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 10 1 0 0 0 0 16 9 2 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 12 16 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0896) S0896 > (S0896) N-[(4-phenoxyphenyl)sulfonyl]-beta-alanine > (S0896) 294661-61-3 > (S0896) BP; AA; SA > (S0896) beta-alanine, N-[(4-phenoxyphenyl)sulfonyl]- > (S0896) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 4.5667 1.0833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.5667 0.2583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 5.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 6.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 16 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 2 1 0 0 0 0 16 22 1 0 0 0 0 17 21 2 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 19 2 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 14 8 1 0 0 0 0 7 17 1 0 0 0 0 25 24 2 0 0 0 0 M END > (S0915) S0915 > (S0915) 4-{[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino}benzoic acid > (S0915) 885269-21-6 > (S0915) AC; BP; SA > (S0915) benzoic acid, 4-[[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0915) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 4.7667 -1.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0542 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.7417 0.0000 O 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 1.9042 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -3.9042 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 3.5250 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -3.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 3.9958 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 15 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 23 2 0 0 0 0 16 22 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 19 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 24 1 0 0 0 0 27 26 1 0 0 0 0 14 8 1 0 0 0 0 16 7 2 0 0 0 0 26 25 2 0 0 0 0 M END > (S0916) S0916 > (S0916) 4-({[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino}methyl)benzoic acid > (S0916) 885269-24-9 > (S0916) AC; BP; SA > (S0916) benzoic acid, 4-[[[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino]methyl]- > (S0916) true $$$$ -ISIS- 11270914432D 21 22 0 0 0 0 0 0 0 0999 V2000 2.0917 -3.3375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.3750 -2.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -4.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 5 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 14 8 1 0 0 0 0 20 19 2 0 0 0 0 M END > (S0917) S0917 > (S0917) 2-{[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0917) 885269-26-1 > (S0917) BP; AA; SA > (S0917) glycine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0917) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 5.0417 -1.4125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.0042 -0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 -0.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4292 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -2.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1167 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 21 3 1 0 0 0 0 22 20 1 0 0 0 0 14 8 1 0 0 0 0 20 19 2 0 0 0 0 M END > (S0918) S0918 > (S0918) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0918) BP; AA; SA > (S0918) alanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0918) true $$$$ -ISIS- 11270914432D 24 25 0 0 0 0 0 0 0 0999 V2000 5.5917 -1.5167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6125 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -0.2792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0542 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -2.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3542 0.5458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5125 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 13 1 0 0 0 0 23 13 1 0 0 0 0 24 21 1 0 0 0 0 15 8 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0919) S0919 > (S0919) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0919) BP; AA; SA > (S0919) valine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0919) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 5.2625 -0.4292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8375 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4167 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8500 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8292 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2875 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 2 1 0 0 0 0 19 2 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 19 1 0 0 0 0 25 18 1 0 0 0 0 26 24 1 0 0 0 0 14 8 1 0 0 0 0 25 26 1 0 0 0 0 22 21 2 0 0 0 0 M END > (S0920) S0920 > (S0920) 1-{[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0920) 885269-28-3 > (S0920) AC; BP; SA > (S0920) cyclohexanecarboxylic acid, 1-[[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0920) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 1.5417 -1.5125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7125 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.7667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.0250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3250 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 22 8 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 15 9 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0921) S0921 > (S0921) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0921) BP; AA; SA > (S0921) leucine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0921) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.9833 2.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.0333 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4583 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 2.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 1.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 2.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 25 21 1 0 0 0 0 8 14 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S0922) S0922 > (S0922) methyl-N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]homocysteine > (S0922) BP; AA; SA > (S0922) homocysteine, S-methyl-N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0922) true $$$$ -ISIS- 11270914432D 24 26 0 0 0 0 0 0 0 0999 V2000 0.2292 -1.8542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5500 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1833 -1.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1375 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4083 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6500 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 23 17 1 0 0 0 0 24 22 1 0 0 0 0 14 8 1 0 0 0 0 19 23 1 0 0 0 0 22 21 2 0 0 0 0 M END > (S0923) S0923 > (S0923) 1-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0923) BP; AA; SA > (S0923) proline, 1-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0923) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 2.7167 2.0625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1250 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.6333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8750 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 3.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 4.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2417 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 8 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 19 2 0 0 0 0 25 19 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 27 28 2 0 0 0 0 22 21 2 0 0 0 0 M END > (S0924) S0924 > (S0924) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0924) BP; AA; SA > (S0924) phenylalanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0924) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.6500 0.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 21 1 0 0 0 0 14 7 1 0 0 0 0 21 20 2 0 0 0 0 M END > (S0925) S0925 > (S0925) N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0925) 885269-30-7 > (S0925) BP; AA; SA > (S0925) beta-alanine, N-[(4'-methyl[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0925) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 4.4042 1.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4000 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 6.8292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 2 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 24 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 21 1 0 0 0 0 14 8 1 0 0 0 0 16 7 2 0 0 0 0 21 25 2 0 0 0 0 M END > (S0926) S0926 > (S0926) 4-{[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino}benzoic acid > (S0926) 885269-32-9 > (S0926) AC; HA; BP; SA > (S0926) benzoic acid, 4-[[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0926) true $$$$ -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 $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 4.5667 0.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7542 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 0.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7292 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1000 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -0.8000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 5 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 14 7 1 0 0 0 0 18 21 2 0 0 0 0 M END > (S0936) S0936 > (S0936) N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0936) 885269-40-9 > (S0936) HA; BP; AA; SA > (S0936) beta-alanine, N-[(4'-chloro[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0936) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 3.9042 1.0708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1542 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8042 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2250 3.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3125 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 2 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 4 1 0 0 0 0 21 24 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 21 1 0 0 0 0 27 26 1 0 0 0 0 14 8 1 0 0 0 0 16 7 2 0 0 0 0 21 25 2 0 0 0 0 M END > (S0937) S0937 > (S0937) 4-{[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino}benzoic acid > (S0937) 885269-42-1 > (S0937) AC; BP; SA > (S0937) benzoic acid, 4-[[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0937) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 4.7750 3.2083 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0625 2.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 3.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2042 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.3125 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 8.3500 4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6375 5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 5.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 0.7250 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 8.3500 6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7875 6.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5042 5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 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 23 2 0 0 0 0 16 24 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 19 1 0 0 0 0 22 25 1 0 0 0 0 23 21 1 0 0 0 0 24 21 2 0 0 0 0 25 18 2 0 0 0 0 26 17 1 0 0 0 0 27 22 1 0 0 0 0 28 27 1 0 0 0 0 14 8 1 0 0 0 0 7 15 1 0 0 0 0 22 26 2 0 0 0 0 M END > (S0938) S0938 > (S0938) 4-({[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino}methyl)benzoic acid > (S0938) 885269-44-3 > (S0938) AC; BP; SA > (S0938) benzoic acid, 4-[[[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino]methyl]- > (S0938) true $$$$ -ISIS- 11270914432D 22 23 0 0 0 0 0 0 0 0999 V2000 5.6417 -0.7042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.3667 -0.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8000 0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0875 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 19 1 0 0 0 0 18 5 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 14 8 1 0 0 0 0 17 20 2 0 0 0 0 M END > (S0939) S0939 > (S0939) 2-{[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino}acetic acid > (S0939) 885269-46-5 > (S0939) BP; AA; SA > (S0939) glycine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0939) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 0.7292 -1.7667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3042 -2.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -1.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -3.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 3.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 19 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 3 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 8 14 1 0 0 0 0 20 18 2 0 0 0 0 M END > (S0940) S0940 > (S0940) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]alanine > (S0940) BP; AA; SA > (S0940) alanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0940) true $$$$ -ISIS- 11270914432D 25 26 0 0 0 0 0 0 0 0999 V2000 1.2167 -1.7292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 11 2 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 22 1 0 0 0 0 15 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0941) S0941 > (S0941) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]valine > (S0941) BP; AA; SA > (S0941) valine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0941) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 0.9417 -1.1542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 -1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2250 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -1.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.8042 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 2 1 0 0 0 0 19 2 1 0 0 0 0 20 21 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 23 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 26 1 0 0 0 0 14 8 1 0 0 0 0 27 25 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0942) S0942 > (S0942) 1-{[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino}cyclohexanecarboxylic acid > (S0942) 885269-48-7 > (S0942) AC; BP; SA > (S0942) cyclohexanecarboxylic acid, 1-[[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]amino]- > (S0942) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 2.1417 -2.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7167 -2.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -3.6875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8875 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 14 2 0 0 0 0 10 9 1 0 0 0 0 11 4 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 19 1 0 0 0 0 23 8 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 23 1 0 0 0 0 15 9 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0943) S0943 > (S0943) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]leucine > (S0943) BP; AA; SA > (S0943) leucine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0943) true $$$$ -ISIS- 11270914432D 26 27 0 0 0 0 0 0 0 0999 V2000 0.9875 -1.2167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -1.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1750 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -2.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 3 1 0 0 0 0 18 4 1 0 0 0 0 19 20 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 24 1 0 0 0 0 23 19 1 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 14 8 1 0 0 0 0 19 21 2 0 0 0 0 M END > (S0944) S0944 > (S0944) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl](methyl)homocysteine > (S0944) BP; AA; SA > (S0944) homocysteine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]-S-methyl- > (S0944) true $$$$ -ISIS- 11270914432D 25 27 0 0 0 0 0 0 0 0999 V2000 4.7417 -1.8792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.5500 -2.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7625 -2.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2417 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -2.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -4.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -0.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5875 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8083 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 2 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 21 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 20 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 14 8 1 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 M END > (S0945) S0945 > (S0945) 1-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]proline > (S0945) BP; AA; SA > (S0945) proline, 1-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0945) true $$$$ -ISIS- 11270914432D 29 31 0 0 0 0 0 0 0 0999 V2000 0.2042 0.5333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.0292 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1417 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.0625 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 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 28 1 0 0 0 0 15 9 1 0 0 0 0 19 22 2 0 0 0 0 27 29 2 0 0 0 0 M END > (S0946) S0946 > (S0946) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]phenylalanine > (S0946) BP; AA; SA > (S0946) phenylalanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0946) true $$$$ -ISIS- 11270914432D 23 24 0 0 0 0 0 0 0 0999 V2000 0.2792 -0.3042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 -0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 9 1 0 0 0 0 6 1 1 0 0 0 0 7 13 2 0 0 0 0 8 7 1 0 0 0 0 9 17 1 0 0 0 0 10 5 2 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 8 2 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 20 1 0 0 0 0 19 5 1 0 0 0 0 20 16 2 0 0 0 0 21 15 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 14 7 1 0 0 0 0 18 21 2 0 0 0 0 M END > (S0947) S0947 > (S0947) N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]-beta-alanine > (S0947) 885269-51-2 > (S0947) BP; AA; SA > (S0947) beta-alanine, N-[(4'-methoxy[1,1'-biphenyl]-4-yl)sulfonyl]- > (S0947) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 2.4542 -0.7042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 -1.2875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -3.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 16 19 2 0 0 0 0 17 4 1 0 0 0 0 18 14 2 0 0 0 0 19 15 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 22 8 2 0 0 0 0 23 10 2 0 0 0 0 24 13 1 0 0 0 0 25 13 2 0 0 0 0 26 22 1 0 0 0 0 27 26 2 0 0 0 0 18 16 1 0 0 0 0 7 20 1 0 0 0 0 25 27 1 0 0 0 0 M END > (S0989) S0989 > (S0989) 3-[4-(2-methylphenoxy)phenylsulfonamido]benzoic acid > (S0989) 612045-19-9 > (S0989) AC; BP; SA > (S0989) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 0.3625 -1.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2333 -2.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -4.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -2.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -3.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -5.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3875 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 16 19 2 0 0 0 0 17 4 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 8 2 0 0 0 0 24 10 2 0 0 0 0 25 13 2 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 20 16 1 0 0 0 0 7 21 1 0 0 0 0 25 27 1 0 0 0 0 M END > (S0990) S0990 > (S0990) 3-[4-(2-chlorophenoxy)phenylsulfonamido]benzoic acid > (S0990) 606944-47-2 > (S0990) AC; HA; BP; SA > (S0990) true $$$$ -ISIS- 11270914432D 28 30 0 0 0 0 0 0 0 0999 V2000 0.3625 -1.7500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 -2.3417 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 1.8375 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -4.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -3.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.4917 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 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -5.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -0.0792 0.0000 C 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 4.6542 0.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -3.7375 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 3.9417 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 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 14 2 0 0 0 0 19 15 1 0 0 0 0 20 13 1 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 20 1 0 0 0 0 27 23 1 0 0 0 0 28 27 2 0 0 0 0 18 16 1 0 0 0 0 7 21 1 0 0 0 0 25 28 1 0 0 0 0 M END > (S0991) S0991 > (S0991) 3-[4-(2-methoxyphenoxy)phenylsulfonamido]benzoic acid > (S0991) 612044-42-5 > (S0991) AC; BP; SA > (S0991) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 4.6167 -1.3542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.2042 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -2.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -4.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 14 1 0 0 0 0 14 17 2 0 0 0 0 15 4 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 8 2 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 14 16 1 0 0 0 0 7 19 1 0 0 0 0 24 26 2 0 0 0 0 M END > (S1000) S1000 > (S1000) 3-(4-phenoxyphenylsulfonamido)benzoic acid > (S1000) 885269-77-2 > (S1000) AC; BP; SA > (S1000) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 1.5792 1.7375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3167 2.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 2.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9417 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 2 1 0 0 0 0 9 15 2 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 3 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 4 1 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 21 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 8 2 0 0 0 0 26 22 1 0 0 0 0 16 9 1 0 0 0 0 7 23 1 0 0 0 0 22 20 2 0 0 0 0 M END > (S1003) S1003 > (S1003) 3-[4-(4-methylphenyl)phenylsulfonamido]benzoic acid > (S1003) 885269-85-2 > (S1003) AC; BP; SA > (S1003) true $$$$ -ISIS- 11270914432D 26 28 0 0 0 0 0 0 0 0999 V2000 2.1042 2.0375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8542 2.3833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -0.3875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 2 1 0 0 0 0 9 15 2 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 3 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 4 1 0 0 0 0 20 22 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 8 2 0 0 0 0 16 9 1 0 0 0 0 7 24 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S1004) S1004 > (S1004) 3-[4-(4-chlorophenyl)phenylsulfonamido]benzoic acid > (S1004) 885269-88-5 > (S1004) AC; BP; SA > (S1004) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 3.6167 2.3958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3417 2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 3.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4792 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 2.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 3.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 11 2 0 0 0 0 8 2 1 0 0 0 0 9 15 2 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 4 2 0 0 0 0 13 3 1 0 0 0 0 14 3 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 4 1 0 0 0 0 20 22 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 20 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 8 2 0 0 0 0 27 23 1 0 0 0 0 16 9 1 0 0 0 0 7 24 1 0 0 0 0 20 21 2 0 0 0 0 M END > (S1005) S1005 > (S1005) 3-[4-(4-methoxyphenyl)phenylsulfonamido]benzoic acid > (S1005) 885269-91-0 > (S1005) AC; BP; SA > (S1005) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 8.4917 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8375 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -7.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -5.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -5.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -6.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 13 1 0 0 0 0 6 12 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 17 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 9 1 0 0 0 0 18 16 1 0 0 0 0 6 2 1 0 0 0 0 15 16 2 0 0 0 0 M END > (S1635) S1635 > (S1635) 3-(4'-methyl-1,1'-biphenyl-4-yl)propanoic acid > (S1635) 893641-34-4 > (S1635) AC; BP; PP > (S1635) true $$$$ -ISIS- 11270914432D 18 19 0 0 0 0 0 0 0 0999 V2000 3.4292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -2.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -3.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 3 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 9 1 0 0 0 0 15 1 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 11 1 0 0 0 0 11 17 2 0 0 0 0 9 12 1 0 0 0 0 M END > (S1638) S1638 > (S1638) 3-(3'-methyl-1,1'-biphenyl-4-yl)propanoic acid > (S1638) 893641-38-8 > (S1638) AC; BP; PP > (S1638) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 4.4542 -0.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.2542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4417 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.2750 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.4625 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -6.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 11 6 1 0 0 0 0 16 14 2 0 0 0 0 M CHG 2 3 -1 17 1 M END > (S1725) S1725 > (S1725) sodium 4'-methoxy[1,1'-biphenyl]-4-sulfonate > (S1725) 1182284-40-7 > (S1725) BP > (S1725) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 4.4542 -0.2542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4542 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -0.2542 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4417 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -4.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -6.0292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -0.2750 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 14 1 0 0 0 0 11 6 1 0 0 0 0 16 14 2 0 0 0 0 M CHG 2 3 -1 18 1 M END > (S1726) S1726 > (S1726) sodium 4'-chloro[1,1'-biphenyl]-4-sulfonate > (S1726) 1182284-41-8 > (S1726) HA; BP > (S1726) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 7.2417 -1.7625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5375 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 -2.4750 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8375 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -4.6500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7042 -2.5917 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 2 1 0 0 0 0 10 8 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 16 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 6 10 2 0 0 0 0 14 15 1 0 0 0 0 M CHG 2 3 -1 18 1 M END > (S1731) S1731 > (S1731) sodium 4'-fluoro[1,1'-biphenyl]-4-sulfonate > (S1731) 633314-20-2 > (S1731) FL; BP > (S1731) true $$$$ -ISIS- 11270914432D 11 11 0 0 0 0 0 0 0 0999 V2000 3.0792 -0.5125 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 11 7 1 0 0 0 0 10 4 2 0 0 0 0 M END > (S1735) S1735 > (S1735) 3-methoxyphenylboronic acid > (S1735) 10365-98-7 > (S1735) BP > (S1735) true $$$$ -ISIS- 11270914432D 18 18 0 0 0 0 0 0 0 0999 V2000 3.1417 -0.2292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1417 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -0.2292 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1292 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -0.4667 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.4292 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 6 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 15 6 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 13 1 0 0 0 0 7 12 2 0 0 0 0 17 13 1 0 0 0 0 M CHG 2 3 -1 14 1 M END > (S1736) S1736 > (S1736) sodium 3'-methyl[1,1'-biphenyl]-4-sulfonate > (S1736) 1182284-44-1 > (S1736) BP > (S1736) true $$$$ -ISIS- 11270914432D 19 19 0 0 0 0 0 0 0 0999 V2000 2.3625 -0.3792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.3792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3542 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -0.6167 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 -5.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -4.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5167 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 6 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 8 2 0 0 0 0 15 13 1 0 0 0 0 16 6 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 15 1 0 0 0 0 7 12 2 0 0 0 0 18 13 1 0 0 0 0 M CHG 2 3 -1 14 1 M END > (S1737) S1737 > (S1737) sodium 3'-methoxy[1,1'-biphenyl]-4-sulfonate > (S1737) 1182284-42-9 > (S1737) BP > (S1737) true $$$$ -ISIS- 11270914432D 21 21 0 0 0 0 0 0 0 0999 V2000 7.6417 -1.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.6542 -3.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9375 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -2.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0917 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3542 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2292 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -3.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -2.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -2.2292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -3.3917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -2.5625 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.3792 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -4.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 9 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 3 2 0 0 0 0 12 3 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 2 1 0 0 0 0 16 12 2 0 0 0 0 17 11 1 0 0 0 0 19 21 1 0 0 0 0 20 9 1 0 0 0 0 21 20 2 0 0 0 0 10 17 2 0 0 0 0 4 19 2 0 0 0 0 M CHG 2 5 -1 18 1 M END > (S1740) S1740 > (S1740) sodium 3'-(trifluoromethyl)[1,1'-biphenyl]-4-sulfonate > (S1740) 1182284-43-0 > (S1740) FL; BP > (S1740) true $$$$ -ISIS- 11270914432D 27 29 0 0 0 0 0 0 0 0999 V2000 7.8125 -7.4792 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.8042 -8.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -6.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -9.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6375 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -10.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -5.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6542 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -9.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0875 -9.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8125 -1.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -8.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 17 1 0 0 0 0 8 13 2 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 3 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 2 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 18 9 2 0 0 0 0 19 9 1 0 0 0 0 20 24 1 0 0 0 0 21 4 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 19 2 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 8 14 1 0 0 0 0 7 16 2 0 0 0 0 25 20 2 0 0 0 0 M END > (S2053) S2053 > (S2053) methyl 4-{[(4'-chloro-1,1'-biphenyl-4-yl)sulfonyl]amino}benzoate > (S2053) 1182284-29-2 > (S2053) AC; BP > (S2053) true $$$$ -ISIS- 11270914432D 15 16 0 0 0 0 0 0 0 0999 V2000 6.8917 -2.4000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6125 -2.8042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.8917 -1.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -5.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 9 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 10 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 2 0 0 0 0 15 14 1 0 0 0 0 8 5 1 0 0 0 0 13 15 2 0 0 0 0 M CHG 2 1 1 3 -1 M END > (S2092) S2092 > (S2092) 4-nitro-1,1'-biphenyl > (S2092) 92-93-3 > (S2092) BP; NT > (S2092) true $$$$ -ISIS- 11270914432D 13 14 0 0 0 0 0 0 0 0999 V2000 5.4667 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -5.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -5.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -6.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -8.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 12 1 0 0 0 0 7 5 2 0 0 0 0 11 13 2 0 0 0 0 M END > (S2093) S2093 > (S2093) 1,1'-biphenyl-4-amine > (S2093) 92-67-1 > (S2093) AM; BP > (S2093) true $$$$