0 B14R2.20 Cc1ccc(cc1)c2csc(n2)N L13863 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.20 Cc1ccc(cc1)c2nc(on2)C H54399 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.20 c1cc(ccc1c2cc([nH]n2)N)Cl H32089 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.20 c1cc(ccc1c2csc(n2)N)Br A17448 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.20 c1cc(ccc1c2csc(n2)N)Cl L14067 [0,0,0,0,0,0|0,1,2]=3 5 B14R2.20 c1cc(ccc1c2nc(ns2)N)Cl H33674 [0,0,0,0,0,0|2,0,1]=3 6 B14R2.20 c1cc(ccc1c2nc(ns2)N)F H34417 [0,0,0,0,0,0|2,1,1]=4 7 B14R2.20 c1cc(ccc1c2nc(sn2)N)Cl H33467 [0,0,0,0,0,0|1,1,1]=3 8 B14R2.20 c1cc(ccc1n2ccc(n2)N)Cl H32252 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.10 Cc1nc(no1)c2ccccc2 B20145 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.10 c1ccc(cc1)N2CCC(=N2)N L06476 [1,0,0,0,0,0|2,0,0]=3 12 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 H27171 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 H27306 [1,0,0,0,0,0|1,0,1]=3 14 B13R2.10 c1ccc(cc1)c2cc(on2)N H27801 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 c1ccc(cc1)c2csc(n2)N A18488 [1,0,0,0,0,0|0,1,2]=4 16 B13R2.10 c1ccc(cc1)c2csc(n2)N A19542 [1,0,0,0,0,0|0,1,2]=4 17 B13R2.10 c1ccc(cc1)c2nc(ns2)N H33552 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.12 c1cc(ccc1C2CCCN2)Cl H61851 [1,0,0,0,0,0|1,0,2]=4 19 B13R1.14 COC(=O)CCc1ccc(cc1)Br H61546 [0,0,1,0,0,0|2,1,0]=4 20 B13R1.14 COC(=O)CCc1ccc(cc1)O H64255 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.14 COC(=O)\C=C\c1ccc(cc1)Cl A17071 [0,0,1,0,0,0|2,0,1]=4 22 B13R1.132 c1cc(ccc1C(CC(=O)O)N)Cl L19798 [0,0,1,0,0,0|3,0,0]=4 23 B15R2.98 c1cc(ccc1C[C@H]2COC(=O)N2)N H56017 [0,0,0,0,0,1|2,0,1]=4 24 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=O L20227 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=S L19975 [1,0,1,0,0,0|0,1,1]=4 27 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=O L20226 [1,0,1,0,0,0|0,0,2]=4 28 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=S L19974 [1,0,1,0,0,0|0,1,1]=4 29 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.21 c1cc(ccc1CSC(=[NH2+])N)Cl B25362 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [1,0,1,0,0,0|2,0,0]=4 35 B14R1.134 COC(=O)C(Cc1ccc(cc1)Cl)N H63260 [0,1,1,0,0,0|2,0,0]=4 36 B14R1.134 COC(=O)[C@@H](Cc1ccc(cc1)Cl)N H63873 [0,1,1,0,0,0|2,0,0]=4 37 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,0,1,0,1,0|1,1,0]=4 38 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O L06020 [0,0,1,0,1,0|1,0,0]=3 40 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl H60141 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl H59921 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,0,1,0,1,0|2,0,0]=4 44 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 A16770 [1,0,0,0,0,1|1,0,1]=4 45 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 A18236 [1,0,0,0,0,1|1,0,1]=4