0 B14R1.540 C=C(Br)CN[C@H](CO)C1=CC=CC=C1 Z1641023284 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 Z255306774 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.45 CN(CCC(=O)O)C1=CC=CC=C1 Z1259273310 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [1,0,0,0,0,0|0,0,2]=3 6 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.6 O=C(O)CCC1CCC2=C1C=CC=C2 Z1262511684 [0,0,0,1,0,0|3,0,0]=4 8 B15R2.59 O=C(O)C1CCC(C1)C2=CC=CC=C2 Z1255391877 [0,0,0,1,0,0|3,0,0]=4 9 B15R2.59 O=C(O)[C@@H]1CC[C@H](C1)C2=CC=CC=C2 Z2620379353 [0,0,0,1,0,0|3,0,0]=4 10 B15R2.5167 O=C1CC(CN1)(CO)C2=CC=CC=C2 Z2235386865 [0,0,0,1,0,0|2,0,1]=4 11 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.713 CC(C)OC(CO)C1=CC=CC=C1 Z1896186657 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.713 CC(O)CC(CN)C1=CC=CC=C1 Z1410955907 [0,0,0,0,1,0|2,0,1]=4 15 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,0,0,0,1,0|2,0,0]=3 16 B13R1.713 CCN(CC(=O)O)C1=CC=CC=C1 Z763029850 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 Z1255487817 [0,0,0,0,1,0|2,0,0]=3 18 B13R1.713 NCC(CC(=O)O)C1=CC=NC=C1 Z2901973961 [0,0,0,0,1,0|3,0,0]=4 19 B15R1.5331 CC(=CCN[C@H](CO)C1=CC=CC=C1)C Z1641024524 [0,0,0,0,0,1|3,0,0]=4 20 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [2,0,0,0,0,0|1,0,1]=4 21 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [2,0,0,0,0,0|2,0,0]=4 22 B14R1.160 N=C(N)NCC(O)C1=C(C=CC=C1)F Z1090011600 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.415 CC(CC(N)C(=O)O)C1=CC=CC=C1 Z3018664835 [1,1,0,0,0,0|2,0,0]=4 24 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 Z836527416 [1,1,0,0,0,0|2,0,0]=4 25 B14R1.515 C#CCC(CC(=O)O)C1=CC=CC=C1 Z1262516818 [0,1,0,0,1,0|2,0,0]=4 26 B14R1.515 N#CCC(CC(=O)O)C1=CC=CC=C1 Z1262525162 [0,1,0,0,1,0|2,0,0]=4 27 B14R1.1019 CCC(CC(=O)O)C1=CC=C(C=C1)C Z352782040 [0,1,0,0,1,0|2,0,0]=4 28 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)Cl Z2569257770 [0,1,0,0,1,0|2,0,0]=4 29 B14R1.1019 NCC(CC(=O)O)C1=CC=C(C=C1)F Z2471610998 [0,1,0,0,1,0|2,0,0]=4 30 B14R1.3642 CCC(O)(CC(=O)O)C1=CC=CC=C1 Z982131910 [0,1,0,0,1,0|2,0,0]=4 31 B14R1.6455 CC(C)C(CC(=O)O)C1=CC=CC=C1 Z337709416 [0,1,0,0,1,0|2,0,0]=4 32 B14R1.6455 O=C(O)CC(C(=O)O)C1=CC=CC=C1 Z104478578 [0,1,0,0,1,0|1,0,1]=4 33 B14R1.6455 O=C(O)CC(C1=CC=CC=C1)C(F)F Z1510051007 [0,1,0,0,1,0|2,0,0]=4 34 B16R1.4675 C=C(CN[C@@H](CO)C1=CC=CC=C1)C(=O)O Z5261949223 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.779 O=C(O)C1CC(C1)C2=CC=CC=C2 Z858585502 [1,0,0,1,0,0|2,0,0]=4 36 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 Z979743476 [1,0,0,1,0,0|2,0,0]=4 37 B14R2.25733 O=C(O)[C@H]1C[C@H](C2=C1C=CC=C2)O Z4512746182 [1,0,0,1,0,0|2,0,0]=4 38 B14R2.2 N=C(N)CC1COC2=C1C=CC=C2 Z2092176790 [0,0,0,1,1,0|1,0,0]=3 39 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 Z352782144 [0,0,0,1,1,0|2,0,0]=4 40 B14R2.2 O=C(O)CC1CNC2=C1C=CC=C2 Z1259339975 [0,0,0,1,1,0|2,0,0]=4 41 B14R2.2 O=C(O)CC1COC2=C1C=CC=C2 Z1198234596 [0,0,0,1,1,0|1,0,0]=3 42 B14R2.780 O=C(O)[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3026488112 [0,0,0,1,1,0|2,0,0]=4 43 B14R2.1014 O=C(O)CC1(CC1)C2=CC=CC=C2 Z1255374825 [0,0,0,1,1,0|2,0,0]=4 44 B14R2.4586 CC1C(C1C2=CC=CC=C2)C(=O)O Z1262523517 [0,0,0,1,1,0|2,0,0]=4 45 B16R2.477 N=C(N)NCC1COC2=C(O1)C=CC=C2 Z911465460 [0,0,0,1,0,1|2,0,0]=4 46 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,0,0,0,1,0|0,0,2]=4 47 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,0,0,0,1,0|1,0,0]=3 48 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,0,0,0,1,0|2,0,0]=4 49 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [1,0,0,0,1,0|2,0,0]=4 50 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,0,0,0,1,0|2,0,0]=4 51 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,0,0,0,1,0|2,0,0]=4 52 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,0,0,0,1,0|2,0,0]=4 53 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,0,0,0,1,0|2,0,0]=4 54 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,0,0,0,1,0|1,0,0]=3 55 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [0,0,0,0,2,0|2,0,0]=4 56 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [0,0,0,0,2,0|2,0,0]=4 57 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [0,0,0,0,2,0|1,0,0]=3 58 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [0,0,0,0,2,0|1,0,0]=3 59 B14R1.549 CCC(CC(=O)O)CC1=CC=CC=C1 Z1262513310 [0,0,0,0,1,1|2,0,0]=4