0 B7R0.5 C(CN)C(C(=O)O)N 5486 [1,0,0,0,0,0|1,0,0]=2 1 B7R0.5 C(CN)[C@@H](C(=O)O)O 6458 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.5 C(CO)[C@@H](C(=O)O)N 10392 [1,0,0,0,0,0|0,1,0]=2 3 B9R0.47 C(CCN)CC(C(=O)O)N 6866 [0,1,0,0,0,0|1,0,0]=2 4 B9R0.47 C(CCN)C[C@@H](C(=O)O)N 6772 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.47 CCCCCC(C)C(=O)O 8193 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.6 C1CC(CC=C1)C(=O)O 5455 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.6 C1CC(CC=C1)C(=O)O 8425 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.6 C1CC(CNC1)C(=O)O 5653 [0,0,0,1,0,0|3,0,0]=4 9 B9R1.6 C1CCNC(C1)C(=O)O 5668 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.6 C1CCNC(C1)C(=O)O 9852 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.6 C1CNC(CN1)C(=O)O 8992 [0,0,0,1,0,0|2,0,0]=3 12 B9R1.6 C1CNCCC1C(=O)O 5224 [0,0,0,1,0,0|2,0,0]=3 13 B9R1.6 C1CNCCC1C(=O)O 8612 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.35 C1CC(=O)N[C@@H]1C(=O)O 5731 [0,0,0,1,0,0|2,0,0]=3 15 B9R1.69 C1CC(=O)NC(=O)C1N 10503 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.163 C1CCC(C1)(C(=O)O)N 10137 [0,0,0,1,0,0|1,0,0]=2 17 B6R0.4 C(CC(=O)O)CN 6222 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.4 C=CCCC(=O)O 5031 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.4 CCCCC(=O)C 9447 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.3 C(C(C(=O)O)Br)Br 6758 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.3 C(C(C(=O)O)N)O 6847 [2,0,0,0,0,0|0,1,0]=3 22 B6R0.3 C(C(C(=O)O)N)O 8529 [2,0,0,0,0,0|0,1,0]=3 23 B6R0.3 C([C@@H](C(=O)O)N)S 6874 [2,0,0,0,0,0|0,0,0]=2 24 B6R0.3 CCC(C(=N)[O-])N 8499 [2,0,0,0,0,0|1,0,1]=4 25 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N 9707 [1,1,0,0,0,0|0,0,0]=2 26 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O 5088 [1,1,0,0,0,0|0,1,1]=4 27 B8R0.23 CC(C)CC(C(=O)O)N 5503 [1,1,0,0,0,0|0,0,0]=2 28 B8R0.23 CC(C)C[C@@H](C(=O)O)N 10688 [1,1,0,0,0,0|0,0,0]=2 29 B8R1.2 C1CCNC(C1)CO 6795 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.7 C1CC(NC1)C(=O)O 9203 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.7 C1CCC(C1)C(=O)O 8636 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.7 C1COCC1C(=O)O 8251 [1,0,0,1,0,0|0,1,0]=3 33 B10R1.13 CN1CCC(CC1)C(=O)O M0072 [0,1,0,1,0,0|2,0,0]=4 34 B10R1.13 C[NH+]1CCC(CC1)C(=O)O 5019 [0,1,0,1,0,0|2,0,0]=4 35 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 10266 [0,1,0,1,0,0|2,0,0]=4 36 B10R1.15 COC(=O)C1CCCCN1 9526 [0,1,0,1,0,0|1,0,0]=3