0 B14R1.727 COC(=O)CCN1C=CC(=O)NC1=O MCULE-5289629289 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.727 NNC(=O)CCC1=NNC(=O)NC1=O MCULE-2471851004 [0,0,0,0,0,0|4,0,0]=4 2 B14R1.727 NNC(=O)CCN1C=CC(=O)NC1=O MCULE-6705393711 [0,0,0,0,0,0|1,0,0]=1 3 B14R1.727 NOC(=O)CCN1C=CC(=O)NC1=O MCULE-7190428388 [0,0,0,0,0,0|0,0,0]=0 4 B13R1.164 CC1=CC(=O)N(C=C1)CCC(=S)N MCULE-3484409572 [1,0,0,0,0,0|2,1,0]=4 5 B13R1.164 CC1=CC(=O)N(C=N1)CCC(=O)O MCULE-1921084106 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.164 CC1=CC(=O)N(C=N1)CCC(=O)O MCULE-4332470110 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.164 NC(=O)CCC1=NNC(=O)NC1=O MCULE-1843404216 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.164 NC(=O)CCN1C=CC(=O)NC1=O MCULE-5085296903 [1,0,0,0,0,0|0,0,0]=1 9 B13R1.164 O=C(O)CCN1C=CC(=O)NC1=O MCULE-2498545168 [1,0,0,0,0,0|0,0,0]=1 10 B13R1.164 O=C(O)CNC1=CNC(=O)NC1=O MCULE-4992759612 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.369 CCCCCN1C=CC(=O)NC1=O MCULE-5579597943 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.369 NCCOCN1C=CC(=O)NC1=O MCULE-6832912982 [1,0,0,0,0,0|2,0,1]=4 13 B15R1.791 CCOC(=O)CCN1C=CC(=O)NC1=O MCULE-3389551031 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.11472 COC(=O)CCN1C=C(C(=NC1=O)N)F MCULE-3358051812 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.38791 CC1=C(C(=O)NC(=O)N1)CCC(=O)NN MCULE-5722923715 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.2679 COC(=O)CN1C=CC(=CC1=O)Br MCULE-7126199573 [0,0,0,0,1,0|3,0,0]=4 17 B13R1.2679 COC(=O)CN1C=CC(=O)NC1=O MCULE-4954269447 [0,0,0,0,1,0|1,0,0]=2 18 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 MCULE-2339654344 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 MCULE-4103457533 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.21 O=C(O)CCC1=NNC(=O)C=C1 MCULE-5907904139 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.21 O=C1C=CN(C=C1)OCC(=O)O MCULE-1717314194 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.69 C=CCCN1C=CC(=O)NC1=O MCULE-1155133277 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.69 CCCCN1C=CC(=O)NC1=O MCULE-3669207438 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.69 COCCN1C=CC(=O)NC1=O MCULE-4868091215 [2,0,0,0,0,0|1,0,0]=3 25 B12R1.69 COCCN1C=CC(=O)NC1=S MCULE-4655000237 [2,0,0,0,0,0|1,1,0]=4 26 B12R1.69 N#CCCN1C=CC(=O)NC1=O MCULE-3946698345 [2,0,0,0,0,0|0,0,2]=4 27 B12R1.69 O=C1C=CN(C(=O)N1)CC=NO MCULE-3000293903 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-4101713123 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.125 O=C(O)CCN1C=CC=CC1=O MCULE-5586331788 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.125 O=C(O)CCN1C=NC=CC1=O MCULE-1041979899 [2,0,0,0,0,0|2,0,0]=4 31 B14R1.103 CSC1=NC(=O)N(C=C1)CCC(=O)O MCULE-9690811469 [1,1,0,0,0,0|0,1,1]=4 32 B14R1.3152 CC1=CC(=CC(=O)N1CCC(=O)O)Cl MCULE-5966177862 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.3152 CC1=CC(=CC(=O)N1CCC(=O)O)O MCULE-2638342485 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.3152 CC1=CC(=NC(=O)N1CCC(=O)O)C MCULE-3385599698 [1,1,0,0,0,0|1,0,1]=4 35 B14R1.3152 CC1=CC(=NC(=O)N1CCC(=O)O)C MCULE-4871941320 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.3152 CC1=CC(=O)NC(=C1CCC(=O)O)C MCULE-1408371788 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.3152 O=C(O)CCC1C(=O)NC(=O)NC1=O MCULE-8407213981 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.6036 CC1=CN(C(=O)N=C1O)CCC(=O)O MCULE-7159849537 [1,1,0,0,0,0|0,0,2]=4 39 B14R1.6036 O=C(O)CCN1C=C(C(=O)NC1=O)Br MCULE-7686454057 [1,1,0,0,0,0|0,0,0]=2 40 B14R1.6036 O=C(O)CCN1C=C(C(=O)NC1=O)F MCULE-9006605987 [1,1,0,0,0,0|0,0,0]=2 41 B14R1.6036 O=C(O)CCN1C=C(C(=O)NC1=O)I MCULE-3394211422 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.6049 NC(CN1C=CC(=O)NC1=O)C(=O)O MCULE-8038508098 [1,1,0,0,0,0|0,0,0]=2 43 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O MCULE-5181449514 [1,1,0,0,0,0|0,0,0]=2 44 B14R1.6049 N[C@@H](CN1C=CC(=O)NC1=O)C(=O)O MCULE-6544606181 [1,1,0,0,0,0|0,0,0]=2 45 B14R1.17009 COCCCN1C(=O)NC(=O)C=C1[O-] MCULE-5576601038 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.17009 COCCCN1C(=O)NC(=O)C=C1[O-] MCULE-7314296007 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.20236 COC(=O)CN1C=C(C(=O)NC1=O)C MCULE-5339184043 [0,1,0,0,1,0|1,0,0]=3 48 B16R1.15080 CCOC(=O)CCN1C=C(C(=O)NC1=O)Br MCULE-1039187574 [0,2,0,0,0,0|1,0,0]=3 49 B16R1.15080 CCOC(=O)CCN1C=C(C(=O)NC1=O)F MCULE-9253566941 [0,2,0,0,0,0|1,0,0]=3 50 B16R1.94253 COC(=O)C(N)CN1C=C(C(=O)NC1=O)C MCULE-7652467664 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.233 CC(=O)CN1C=CC(=O)NC1=O MCULE-2274569922 [1,0,0,0,1,0|1,0,0]=3 52 B12R1.233 CC(O)CN1C=CC(=O)NC1=O MCULE-1201536109 [1,0,0,0,1,0|1,0,1]=4 53 B12R1.233 CC1=CC(=O)N(C=C1)CC(=O)O MCULE-7679052009 [1,0,0,0,1,0|2,0,0]=4 54 B12R1.233 NC(=O)CN1C=CC(=O)NC1=O MCULE-1683769362 [1,0,0,0,1,0|0,0,0]=2 55 B12R1.233 NC(=S)CN1C=CC(=O)NC1=O MCULE-2164622073 [1,0,0,0,1,0|0,1,0]=3 56 B12R1.233 O=C(O)CC1=CNC(=O)NC1=O MCULE-6693782917 [1,0,0,0,1,0|2,0,0]=4 57 B12R1.233 O=C(O)CN1C=CC(=CC1=O)Br MCULE-8317357510 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O MCULE-4972491859 [1,0,0,0,1,0|0,0,0]=2 59 B12R1.233 O=C(O)CN1CCC(=O)NC1=O MCULE-9627673350 [1,0,0,0,1,0|0,0,2]=4 60 B12R1.233 O=C(O)CN1N=CC(=O)NC1=O MCULE-9617115602 [1,0,0,0,1,0|1,0,0]=3 61 B12R1.861 O=C(O)CCC1NC(=O)NC1=O MCULE-4043775084 [1,0,0,0,1,0|2,0,0]=4 62 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-7004335123 [1,0,0,0,1,0|2,0,0]=4 63 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O MCULE-9084301148 [1,0,0,0,1,0|2,0,0]=4 64 B12R1.353 COC(=O)CCN1SC=CC1=O MCULE-1978419212 [1,0,0,0,1,0|2,0,0]=4