0 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 PI-44371 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.28 BrCCCCCCc1ccccc1 PI-14501 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [1,0,0,0,0,0|1,0,0]=2 10 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 PI-10938 [0,1,0,0,0,0|0,0,3]=4 11 B15R1.809 CCOC(=O)C=C(C)NC1=CC=CC=C1 PI-19786 [0,1,0,0,0,0|1,0,2]=4 12 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 PI-31730 [0,1,0,0,0,0|0,0,1]=2 13 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-11539 [0,1,0,0,0,0|0,0,0]=1 14 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-35709 [0,1,0,0,0,0|0,0,0]=1 15 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-26090 [0,1,0,0,0,0|0,0,0]=1 16 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-28887 [0,1,0,0,0,0|0,0,0]=1 17 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 PI-11055 [0,0,0,1,0,0|2,0,0]=3 18 B15R2.73 CCOC(=O)C1=CNC2=CC=CC=C21 PI-11088 [0,0,0,1,0,0|1,0,2]=4 19 B15R2.73 CCOC(=O)C1=NNC2=CC=CC=C21 PI-50601 [0,0,0,1,0,0|2,0,1]=4 20 B15R2.325 C1=CC=C(C=C1)CC2C(=O)OC(=O)N2 PI-28159 [0,0,0,1,0,0|2,0,1]=4 21 B15R2.2196 C1CC(OC1)CNCC2=CC=CC=C2 PI-19243 [0,0,0,1,0,0|2,0,1]=4 22 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,0,0,0,1,0|1,0,0]=2 23 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,0,0,0,1,0|0,0,2]=3 24 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,0,0,0,1,0|0,0,0]=1 25 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,0,0,0,1,0|1,0,0]=2 26 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,0,0,0,1,0|3,0,0]=4 28 B15R1.778 CCOC(=O)CCNCc1ccccc1 PI-22053 [0,0,0,0,0,1|0,0,0]=1 29 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [2,0,0,0,0,0|1,0,1]=4 30 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [2,0,0,0,0,0|1,0,1]=4 32 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [2,0,0,0,0,0|1,0,1]=4 33 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [2,0,0,0,0,0|0,0,0]=2 39 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [2,0,0,0,0,0|1,0,0]=3 40 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [2,0,0,0,0,0|0,0,1]=3 42 B14R1.14 CCCCCCCC1=CC=C(C=C1)O PI-11987 [1,1,0,0,0,0|1,0,1]=4 43 B14R1.123 BrCCCCCCCc1ccccc1 PI-22266 [1,1,0,0,0,0|1,0,1]=4 44 B14R1.123 CCCCCCCCC1=CC=CC=C1 PI-44002 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.13 COC(=O)CCCc1ccc(cc1)N PI-18321 [1,1,0,0,0,0|0,0,0]=2 46 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 PI-29398 [1,1,0,0,0,0|0,0,1]=3 47 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [1,1,0,0,0,0|0,0,1]=3 48 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-42313 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-43059 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 PI-22099 [0,1,0,0,1,0|1,0,1]=4 51 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,1,0,0,1,0|0,0,1]=3 52 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [0,1,0,0,1,0|0,0,0]=2 53 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [0,1,0,0,1,0|0,0,0]=2 54 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [0,1,0,0,1,0|1,0,0]=3 55 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [0,1,0,0,1,0|0,0,0]=2 56 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [0,1,0,0,1,0|0,0,2]=4 57 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [0,1,0,0,1,0|0,0,2]=4 58 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [0,1,0,0,1,0|0,0,2]=4 61 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [0,1,0,0,1,0|1,0,1]=4 62 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [0,1,0,0,1,0|1,0,1]=4 63 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [0,1,0,0,1,0|1,0,0]=3 64 B16R1.1570 CCOC(=O)CC(=O)OCC1=CC=CC=C1 PI-18549 [0,1,0,0,0,1|0,0,1]=3 65 B16R1.1570 O=C(OCC)CC(NCC1=CC=CC=C1)=O PI-40765 [0,1,0,0,0,1|0,0,1]=3 66 B16R1.955 CCOC(=O)CC(=O)CC1=CC=C(C=C1)C PI-26808 [0,2,0,0,0,0|0,0,1]=3 67 B16R1.956 CCOC(=O)CC(=O)CC1=CC=CC(=C1)C PI-26937 [0,2,0,0,0,0|0,0,1]=3 68 B14R2.6 C1=CCN(CC1)Cc2ccccc2 PI-38868 [1,0,0,1,0,0|2,0,0]=4 69 B14R2.6 C1CCC(CN1)Cc2ccccc2 PI-13268 [1,0,0,1,0,0|2,0,0]=4 70 B14R2.6 C1CN(CC=C1)CC2=CC=CC=C2 PI-43367 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16646 [1,0,0,1,0,0|1,1,0]=4 72 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16647 [1,0,0,1,0,0|1,1,0]=4 73 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [1,0,0,1,0,0|1,0,0]=3 74 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [1,0,0,1,0,0|1,0,0]=3 75 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [1,0,0,1,0,0|1,0,0]=3 76 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10531 [1,0,0,1,0,0|1,0,0]=3 77 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10532 [1,0,0,1,0,0|1,0,0]=3 78 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 PI-49427 [1,0,0,1,0,0|0,0,0]=2 79 B14R2.68 C1CN(CCC1=O)C2=CC=CC=C2 PI-43185 [1,0,0,1,0,0|1,0,0]=3 80 B14R2.95 COC(=O)C1C2=CC=CC=C2CN1 PI-48423 [1,0,0,1,0,0|1,0,0]=3 81 B14R2.598 O=C1CC(C(=O)O1)c2ccccc2 PI-30072 [0,0,0,1,1,0|1,0,1]=4 82 B16R2.5 CCOC(=O)CC1=CNC2=CC=CC=C21 PI-27909 [0,0,0,1,0,1|0,0,2]=4 83 B16R2.3258 C1CN(CCNC1=O)CC2=CC=CC=C2 PI-28977 [0,0,0,1,0,1|1,0,0]=3 84 B16R2.734 CCOC(=O)CC1=NC2=CC=CC=C2S1 PI-19397 [0,1,0,1,0,0|1,0,1]=4 85 B16R2.734 CCOC(=O)Cc1nc2ccccc2[nH]1 PI-36410 [0,1,0,1,0,0|1,0,1]=4 86 B16R2.734 O=C(OCC)CC=1NC2=C(C1)C=CC=C2 PI-46720 [0,1,0,1,0,0|0,0,2]=4 87 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42028 [0,1,0,1,0,0|1,0,0]=3 88 B16R2.2903 CC1(C(NC(=O)O1)CC2=CC=CC=C2)C PI-42029 [0,1,0,1,0,0|1,0,0]=3 89 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,0,0,0,1,0|2,0,0]=4 91 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,0,0,0,1,0|2,0,0]=4 92 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,0,0,0,1,0|2,0,0]=4 93 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,0,0,0,1,0|0,0,0]=2 94 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,0,0,0,1,0|1,0,0]=3 95 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,0,0,0,1,0|2,0,0]=4 96 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,0,0,0,1,0|2,0,0]=4 97 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,0,0,0,2,0|1,0,0]=3 98 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,0,0,0,2,0|1,0,0]=3 99 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,0,0,0,2,0|1,0,0]=3 100 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,0,0,0,2,0|1,0,0]=3 101 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,0,0,0,2,0|2,0,0]=4 102 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [0,0,0,0,2,0|1,0,0]=3