0 B9R1.35 O=C(O)C1=NN=C(Br)N1 CS-0019283 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 O=C(O)C1CCC(O)=N1 CS-W013454 [0,0,0,0,0,0|0,0,2]=2 2 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 O=C1CC[C@H](C(=O)O)O1 CS-W021140 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [0,0,1,0,0,0|1,0,1]=3 10 B8R0.9 CC(=O)NNC(=O)CCl CS-0012373 [0,0,1,0,0,0|3,0,0]=4 11 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,0,1,0,0,0|2,0,0]=3 12 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,0,1,0,0,0|0,0,0]=1 13 B8R0.23 NC(CC(=O)O)C(=O)O CS-W016540 [0,0,1,0,0,0|3,0,0]=4 14 B8R0.23 O=C(O)CC(S)C(=O)O CS-W010986 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,1,0,0,0|3,0,0]=4 16 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,0,1,0|1,0,0]=2 17 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,0,0,0,0,1|3,0,0]=4 18 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,0,0,0,0,1|1,0,0]=2 20 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,0,0,0,0,1|1,0,1]=3 21 B10R1.113 O=C1CC(C(=O)O)CCN1 CS-W006096 [0,0,0,0,0,1|1,0,0]=2 22 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [1,0,1,0,0,0|0,0,2]=4 23 B7R0.5 NC(CCO)C(=O)O CS-W013586 [1,0,1,0,0,0|0,0,1]=3 24 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [1,0,1,0,0,0|0,0,1]=3 25 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,0,1,0,0,0|2,0,0]=4 27 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [2,0,0,0,0,0|1,0,1]=4 28 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [2,0,0,0,0,0|1,0,1]=4 29 B9R0.7 NC(CCC(=O)O)C(=O)O CS-W022635 [0,1,1,0,0,0|0,0,0]=2 30 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,1,1,0,0,0|2,0,0]=4 31 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,1,1,0,0,0|2,0,0]=4 32 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS-W016357 [0,1,1,0,0,0|2,0,0]=4 33 B9R0.53 CN(CC(=O)O)CC(=O)O CS-W007872 [0,1,1,0,0,0|2,0,0]=4 34 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [1,1,0,0,0,0|1,0,1]=4 35 B9R1.163 C[C@@]1(C(=O)O)CCCN1 CS-M1378 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.82 COC(=O)C1CC(=O)C1 CS-W007372 [0,1,0,0,1,0|1,0,0]=3 37 B9R2.39 O=C1NC2CCC1C2 CS-B1546 [1,0,0,1,0,0|1,0,1]=4 38 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 CS-W009267 [1,0,0,1,0,0|1,0,0]=3 39 B7R1.18 O=C(O)C1CNC1 CS-W019846 [1,0,0,0,1,0|1,0,1]=4 40 B7R1.18 O=C(O)C1COC1 CS-B1344 [1,0,0,0,1,0|1,0,1]=4 41 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,0,2,0|1,0,1]=4 42 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,0,2,0|1,0,1]=4 43 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,0,2,0|1,0,1]=4 44 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [1,0,0,0,0,1|0,0,1]=3