0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 PI-48955 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 PI-17945 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.42 CCOC(=O)COC1=CC=CC=C1 PI-50572 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.42 NCCC(=O)OCc1ccccc1 PI-18422 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 C1=CC=C(C=C1)COCCCBr PI-19703 [1,0,0,0,0,0|1,0,1]=3 8 B12R1.8 C1=CC=C(C=C1)COCCCO PI-32367 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.8 O=CCCOCc1ccccc1 PI-39298 [1,0,0,0,0,0|1,0,2]=4 13 B12R1.8 OCCCNCc1ccccc1 PI-28560 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [1,0,0,0,0,0|0,0,2]=3 20 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [1,0,0,0,0,0|2,1,0]=4 22 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [1,0,0,0,0,0|3,0,0]=4 23 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [1,0,0,0,0,0|2,0,0]=3 26 B14R1.29 CCOC(=O)CC(=O)c1ccccc1 PI-36978 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.29 CCOC(=O)C[C@@H](N)c1ccccc1 PI-31836 [0,1,0,0,0,0|2,0,0]=3 28 B14R1.29 CCOC(=O)C[C@H](N)c1ccccc1 PI-31837 [0,1,0,0,0,0|2,0,0]=3 29 B14R1.32 CCOC(=O)COC1=CC(=CC=C1)Cl PI-50553 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.60 CCOC(=O)[C@H](Cc1ccccc1)N PI-30470 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.156 C1=CC=C(C=C1)COC(=O)NCC#N PI-17937 [0,1,0,0,0,0|1,0,1]=3 32 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCN PI-47088 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.156 C1=CC=C(C=C1)COC(=O)NCCO PI-43203 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.156 O=C(NCCO)\C=C\C1=CC=CC=C1 PI-42736 [0,1,0,0,0,0|2,0,1]=4 35 B14R1.156 O=C(OCC1=CC=CC=C1)NCCBr PI-37289 [0,1,0,0,0,0|1,0,0]=2 36 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)C PI-32828 [0,1,0,0,0,0|2,0,1]=4 37 B14R1.502 CCOC(=O)C=CC1=CC=C(C=C1)N PI-31211 [0,1,0,0,0,0|2,0,1]=4 38 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)Cl PI-50268 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.502 CCOC(=O)COC1=CC=C(C=C1)F PI-50276 [0,1,0,0,0,0|3,0,0]=4 40 B14R1.502 CCOC(=O)\C=C\c1ccc(cc1)F PI-38867 [0,1,0,0,0,0|2,0,1]=4 41 B14R1.502 CCOC(=O)\N=C\c1ccc(Cl)cc1 PI-23173 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.502 CCOC(=O)\N=C\c1ccc(F)cc1 PI-23487 [0,1,0,0,0,0|2,0,1]=4 43 B14R1.598 CCOC(=O)COc1ccccc1C PI-29982 [0,1,0,0,0,0|3,0,0]=4 44 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-42313 [0,1,0,0,0,0|1,0,2]=4 45 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-43059 [0,1,0,0,0,0|1,0,2]=4 46 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 PI-32071 [0,1,0,0,0,0|0,0,1]=2 47 B14R1.818 C\C(N)=C\C(OCC1=CC=CC=C1)=O PI-46645 [0,1,0,0,0,0|0,0,2]=3 48 B14R1.818 O=C(CC(O)=O)OCC1=CC=CC=C1 PI-18524 [0,1,0,0,0,0|1,0,1]=3 49 B12R1.32 CCCC(CC1=CC=CC=C1)=O PI-19824 [0,0,0,0,1,0|0,0,0]=1 50 B12R1.32 CCOC(=O)CC1=CN=CC=C1 PI-42472 [0,0,0,0,1,0|2,0,0]=3 51 B12R1.32 CCOC(=O)C[n+]1ccccc1 PI-17048 [0,0,0,0,1,0|2,0,0]=3 52 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PI-50683 [0,0,0,0,1,0|2,0,0]=3 53 B12R1.32 COCC(CC1=CC=CC=C1)N PI-19806 [0,0,0,0,1,0|2,0,1]=4 54 B12R1.32 O=C(OCC)CC1=NC=CC=N1 PI-46779 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.51 CCOC(=O)CCC1=CC=CO1 PI-19017 [0,0,0,0,1,0|3,0,0]=4 56 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 PI-44371 [0,0,0,0,0,1|3,0,0]=4 57 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [0,0,0,0,0,1|2,0,0]=3 58 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [0,0,0,0,0,1|1,0,0]=2 59 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [2,0,0,0,0,0|1,0,1]=4 61 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [2,0,0,0,0,0|1,0,0]=3 62 B11R1.28 C1=CC=C(C=C1)OCCCBr PI-32239 [2,0,0,0,0,0|1,0,1]=4 63 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [2,0,0,0,0,0|0,0,1]=3 64 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.28 NCCOCc1ccccc1 PI-36880 [2,0,0,0,0,0|1,0,0]=3 66 B11R1.28 OCCOCc1ccccc1 PI-24526 [2,0,0,0,0,0|1,0,0]=3 67 B11R1.28 OCCSCc1ccccc1 PI-20759 [2,0,0,0,0,0|1,1,0]=4 68 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [2,0,0,0,0,0|2,0,0]=4 70 B13R1.24 CCCCCC(C1=CC=CC=C1)O PI-46929 [1,1,0,0,0,0|1,0,1]=4 71 B13R1.28 BrCCCCCCc1ccccc1 PI-14501 [1,1,0,0,0,0|1,0,1]=4 72 B13R1.28 C1=CC=C(C=C1)COCCCCBr PI-19756 [1,1,0,0,0,0|0,0,1]=3 73 B13R1.718 C1=CC=C(C=C1)COCC(CO)O PI-33777 [1,1,0,0,0,0|1,0,1]=4 74 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [1,1,0,0,0,0|0,0,1]=3 75 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)N PI-14323 [1,1,0,0,0,0|0,0,0]=2 82 B13R1.351 CC(C(=O)OCC1=CC=CC=C1)O PI-42713 [1,1,0,0,0,0|0,0,0]=2 83 B13R1.351 CC(C(=O)OCc1ccccc1)N PI-37613 [1,1,0,0,0,0|0,0,0]=2 84 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C PI-40376 [1,1,0,0,0,0|0,0,1]=3 85 B13R1.351 O=C([C@H](N)C)OCc1ccccc1 PI-18535 [1,1,0,0,0,0|0,0,0]=2 86 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Br PI-26128 [0,1,0,0,1,0|1,0,0]=3 87 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)Cl PI-50328 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)F PI-50266 [0,1,0,0,1,0|1,0,0]=3 89 B13R1.19 CCOC(=O)CC1=CC=C(C=C1)N PI-29684 [0,1,0,0,1,0|1,0,0]=3 90 B13R1.19 CCOC(=O)Cc1ccc(O)cc1 PI-11993 [0,1,0,0,1,0|1,0,0]=3 91 B13R1.19 CCOC(=O)Cc1ccc(cc1)C PI-38408 [0,1,0,0,1,0|1,0,0]=3 92 B13R1.19 ClCCC(=O)Nc1ccc(Br)cc1 PI-22254 [0,1,0,0,1,0|2,0,0]=4 93 B13R1.20 CCOC(=O)CC1=CC(=CC=C1)O PI-50435 [0,1,0,0,1,0|1,0,0]=3 94 B13R1.20 CCOC(=O)Cc1cccc(N)n1 PI-36058 [0,1,0,0,1,0|2,0,0]=4 95 B13R1.20 COCC(=O)NC1=CC(=CC=C1)Br PI-48972 [0,1,0,0,1,0|2,0,0]=4 96 B13R1.47 CCOC(=O)C(=C)C1=CC=CC=C1 PI-46945 [0,1,0,0,1,0|1,0,1]=4 97 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 PI-28187 [0,1,0,0,1,0|1,0,1]=4 98 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)Br PI-26529 [0,1,0,0,1,0|1,0,0]=3 99 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-17842 [0,1,0,0,1,0|1,0,0]=3 100 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)N PI-22047 [0,1,0,0,1,0|1,0,0]=3 101 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-47031 [0,1,0,0,1,0|1,0,0]=3 102 B13R1.47 CCOC(=O)C(C1=CC=CC=C1)O PI-50235 [0,1,0,0,1,0|1,0,0]=3 103 B13R1.348 C1=CC=C(C=C1)OC(=O)CC(=O)O PI-18496 [0,1,0,0,1,0|1,0,1]=4 104 B13R1.470 CCOC(=O)CC1=CC=CC=C1Cl PI-50418 [0,1,0,0,1,0|1,0,0]=3 105 B13R1.470 CCOC(=O)CC1=CC=CC=C1F PI-50404 [0,1,0,0,1,0|1,0,0]=3 106 B13R1.470 CCOC(=O)CC1=CC=CC=C1N PI-30787 [0,1,0,0,1,0|1,0,0]=3 107 B13R1.470 CCOC(=O)CC1=CC=CC=C1O PI-50578 [0,1,0,0,1,0|1,0,0]=3 108 B13R1.470 CCOC(=O)Cc1ccccc1C PI-30581 [0,1,0,0,1,0|1,0,0]=3 109 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 PI-31730 [0,1,0,0,0,1|2,0,0]=4 110 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-11539 [0,1,0,0,0,1|2,0,0]=4 111 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-35709 [0,1,0,0,0,1|2,0,0]=4 112 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-26090 [0,1,0,0,0,1|2,0,0]=4 113 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-28887 [0,1,0,0,0,1|2,0,0]=4 114 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)Cl)N PI-30675 [0,2,0,0,0,0|2,0,0]=4 115 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N PI-15756 [0,2,0,0,0,0|2,0,0]=4 116 B15R1.48 CCOC(=O)C(CC1=CC=C(C=C1)O)N PI-42160 [0,2,0,0,0,0|2,0,0]=4 117 B15R1.48 [C@@H](N)(CC1=CC=C(O)C=C1)C(=O)OCC PI-42159 [0,2,0,0,0,0|2,0,0]=4 118 B15R1.640 CCOC(=O)C(CC1=CC=CC=C1)CN PI-45585 [0,2,0,0,0,0|2,0,0]=4 119 B15R1.78 NCCCNC(OCC1=CC=CC=C1)=O PI-39636 [0,2,0,0,0,0|0,0,0]=2 120 B15R1.78 O=CCCNC(=O)OCc1ccccc1 PI-24547 [0,2,0,0,0,0|0,0,1]=3 121 B15R1.741 CC(CO)NC(=O)OCC1=CC=CC=C1 PI-43827 [0,2,0,0,0,0|1,0,0]=3 122 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)N PI-43908 [0,2,0,0,0,0|1,0,1]=4 123 B15R1.5919 C1=CC=C(C=C1)COC(=O)NCC(=O)O PI-31025 [0,2,0,0,0,0|1,0,1]=4 124 B15R1.5919 O=C(NCC(=S)N)OCc1ccccc1 PI-28581 [0,2,0,0,0,0|1,0,1]=4 125 B15R1.793 O=C(OCC)CCC1=CC=C(CN)C=C1 PI-46626 [0,2,0,0,0,0|2,0,0]=4 126 B15R1.3678 CC(C(C(=O)OCC1=CC=CC=C1)N)O PI-27955 [0,2,0,0,0,0|0,0,0]=2 127 B13R2.3 C1CCC(CC1)c2ccccc2 PI-31984 [1,0,0,1,0,0|1,0,1]=4 128 B13R2.2382 C1C(O1)COCC2=CC=CC=C2 PI-10361 [1,0,0,1,0,0|1,0,1]=4 129 B13R2.2382 O(Cc1ccccc1)CC2OC2 PI-35223 [1,0,0,1,0,0|1,0,1]=4 130 B13R2.2382 c1ccc(COC[C@H]2OC2)cc1 PI-16665 [1,0,0,1,0,0|1,0,1]=4 131 B13R2.2383 C1(OCC2=CC=CC=C2)CNC1 PI-40825 [1,0,0,1,0,0|1,0,1]=4 132 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [1,0,0,1,0,0|2,0,0]=4 133 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [1,0,0,1,0,0|0,0,0]=2 134 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [1,0,0,1,0,0|2,0,0]=4 135 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [1,0,0,1,0,0|1,0,0]=3 136 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [1,0,0,1,0,0|1,0,0]=3 137 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [1,0,0,1,0,0|2,0,0]=4 138 B13R2.26 CCCC1=NC2=CC=CC=C2N1 PI-45292 [0,0,0,1,1,0|2,0,0]=4 139 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [0,0,0,1,1,0|1,0,0]=3 140 B15R2.31 C1CC(=CC(=O)C1)NC2=CC=CC=C2 PI-17441 [0,0,0,1,0,1|1,0,1]=4 141 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 PI-11055 [0,0,0,1,0,1|1,0,0]=3 142 B15R2.38 C1CCC(=O)C(=CC2=CC=CC=C2)C1 PI-14178 [0,1,0,1,0,0|1,0,1]=4 143 B15R2.38 C1CCC(=O)C(C1)CC2=CC=CC=C2 PI-28898 [0,1,0,1,0,0|1,0,0]=3 144 B15R2.4083 C1CN(C(=O)C1Br)CC2=CC=CC=C2 PI-49757 [0,1,0,1,0,0|1,0,0]=3 145 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42030 [0,1,0,1,0,0|2,0,0]=4 146 B15R2.327 CC1(C(NC(=O)O1)C2=CC=CC=C2)C PI-42031 [0,1,0,1,0,0|2,0,0]=4 147 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42022 [0,0,0,2,0,0|2,0,0]=4 148 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42023 [0,0,0,2,0,0|2,0,0]=4 149 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [1,0,0,0,1,0|1,1,0]=4 150 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [1,0,0,0,1,0|2,0,0]=4 151 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,0,0,1,0|0,0,2]=4 152 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [1,0,0,0,1,0|0,0,0]=2 153 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [1,0,0,0,1,0|2,0,0]=4 154 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [1,0,0,0,1,0|2,0,0]=4 155 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19327 [0,0,0,0,2,0|0,0,2]=4 156 B11R1.16 CCCC(C1=CC=CC=C1)O PI-19763 [0,0,0,0,2,0|0,0,2]=4 157 B11R1.16 CCOC(=N)C1=CC=CC=C1 PI-46544 [0,0,0,0,2,0|2,0,0]=4 158 B11R1.16 CCOC(=O)C1=CC=NC=C1 PI-33278 [0,0,0,0,2,0|2,0,0]=4 159 B11R1.16 CCOC(=O)C1=CN=CC=C1 PI-39994 [0,0,0,0,2,0|2,0,0]=4 160 B11R1.16 CCOC(=O)c1ccccn1 PI-33276 [0,0,0,0,2,0|2,0,0]=4 161 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [0,0,0,0,2,0|2,0,0]=4 162 B11R1.16 COCC(=O)c1ccccc1 PI-11856 [0,0,0,0,2,0|1,0,0]=3 163 B11R1.16 ClCCC(=O)c1ccccc1 PI-11246 [0,0,0,0,2,0|1,0,0]=3 164 B11R1.16 N#CCC(=O)c1ccccc1 PI-14837 [0,0,0,0,2,0|1,0,1]=4 165 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [0,0,0,0,2,0|2,0,0]=4 166 B11R1.30 CCOC(=O)CC1=CC=CS1 PI-19733 [0,0,0,0,2,0|2,0,0]=4 167 B11R1.30 CCOC(=O)CC1=CSC=C1 PI-19515 [0,0,0,0,2,0|2,0,0]=4 168 B15R1.778 CCOC(=O)CCNCc1ccccc1 PI-22053 [0,0,0,0,0,2|2,0,0]=4