0 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 PI-49342 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.718 CCC(COCC1=CC=CC=C1)N PI-30144 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PI-35472 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-36062 [0,0,0,0,0,0|3,0,0]=3 4 B13R1.718 COC(=O)CNCC1=CC=CC=C1 PI-48770 [0,0,0,0,0,0|3,0,0]=3 5 B13R1.718 COC(=O)COCC1=CC=CC=C1 PI-50530 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.252 C1=CC=C(C=C1)CNCC(=O)O PI-28809 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.252 C1=CC=C(C=C1)OCCC(=O)O PI-32597 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.252 CC(=O)CSCC1=CC=CC=C1 PI-12794 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.252 CC(=O)NCCC1=CC=CC=C1 PI-26960 [1,0,0,0,0,0|1,0,0]=2 14 B12R1.252 ClC(=O)COCc1ccccc1 PI-35826 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.252 OC(=O)CCCc1ccccc1 PI-29265 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.252 OC(=O)CNCc1ccccc1 PI-27252 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.252 OC(=O)COCc1ccccc1 PI-33690 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.252 [O-]C(=O)CCCc1ccccc1 PI-38535 [1,0,0,0,0,0|2,0,0]=3 19 B14R1.13 COC(=O)CCCc1ccc(cc1)N PI-18321 [0,1,0,0,0,0|2,0,0]=3 20 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 PI-29398 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.520 CCOC(=O)CCNC1=CC=CC=N1 PI-44371 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 PI-48792 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 PI-50531 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 PI-14674 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-42313 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.756 CCC(=O)C(C)OCC1=CC=CC=C1 PI-43059 [0,1,0,0,0,0|2,0,0]=3 27 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16646 [0,0,0,1,0,0|2,1,0]=4 28 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 PI-16647 [0,0,0,1,0,0|2,1,0]=4 29 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 PI-16641 [0,0,0,1,0,0|2,1,0]=4 30 B14R2.19 O=C1CCN(C1)Cc2ccccc2 PI-42677 [0,0,0,1,0,0|2,0,0]=3 31 B14R2.19 O=C1OC[C@H](CC2=CC=CC=C2)N1 PI-16270 [0,0,0,1,0,0|2,0,0]=3 32 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 PI-10266 [0,0,0,1,0,0|2,0,0]=3 33 B14R2.19 S=C1SC[C@@H](CC2=CC=CC=C2)N1 PI-16642 [0,0,0,1,0,0|2,1,0]=4 34 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10531 [0,0,0,1,0,0|1,0,0]=2 35 B14R2.68 C1C(NCC(=O)O1)C2=CC=CC=C2 PI-10532 [0,0,0,1,0,0|1,0,0]=2 36 B14R2.68 C1CC(=O)CCC1C2=CC=CC=C2 PI-49427 [0,0,0,1,0,0|1,0,0]=2 37 B14R2.68 C1CN(CCC1=O)C2=CC=CC=C2 PI-43185 [0,0,0,1,0,0|2,0,0]=3 38 B14R2.95 COC(=O)C1C2=CC=CC=C2CN1 PI-48423 [0,0,0,1,0,0|3,0,0]=4 39 B12R1.27 C1=CC=C(C=C1)CCC(=O)NN PI-50331 [0,0,0,0,1,0|2,0,0]=3 40 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl PI-49782 [0,0,0,0,1,0|2,0,0]=3 41 B12R1.27 C1=CC=C(C=C1)COC(=O)CBr PI-32119 [0,0,0,0,1,0|1,0,0]=2 42 B12R1.27 C1=CC=C(C=C1)COC(=O)CO PI-48132 [0,0,0,0,1,0|1,0,0]=2 43 B12R1.27 C1=CC=C(C=C1)COC(=O)NN PI-13115 [0,0,0,0,1,0|2,0,0]=3 44 B12R1.27 C1=CC=C(C=C1)OCC(=O)NN PI-50252 [0,0,0,0,1,0|3,0,0]=4 45 B12R1.27 C=CC(=O)OCc1ccccc1 PI-40377 [0,0,0,0,1,0|0,0,2]=3 46 B12R1.27 CCC(=O)CCC1=CC=CC=C1 PI-33801 [0,0,0,0,1,0|0,0,0]=1 47 B12R1.27 CNC(=S)NCC1=CC=CC=C1 PI-28336 [0,0,0,0,1,0|2,1,0]=4 48 B12R1.27 COC(=O)CSC1=CC=CC=C1 PI-24151 [0,0,0,0,1,0|2,0,0]=3 49 B12R1.27 NCC(=O)OCc1ccccc1 PI-12180 [0,0,0,0,1,0|1,0,0]=2 50 B12R1.27 NCC(=O)OCc1ccccc1 PI-12746 [0,0,0,0,1,0|1,0,0]=2 51 B12R1.27 ONC(=O)OCc1ccccc1 PI-38635 [0,0,0,0,1,0|2,0,0]=3 52 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 PI-43375 [0,0,0,0,0,1|2,0,0]=3 53 B11R1.28 C1=CC=C(C=C1)CCCCBr PI-13248 [2,0,0,0,0,0|1,0,1]=4 54 B11R1.28 C1=CC=C(C=C1)CCCCO PI-12011 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.28 C1=CC=C(C=C1)COCCCl PI-19195 [2,0,0,0,0,0|1,0,1]=4 56 B11R1.28 CCCCCC1=CC=CC=C1 PI-12353 [2,0,0,0,0,0|0,0,1]=3 57 B11R1.28 CCCCCC1=CC=CC=N1 PI-13331 [2,0,0,0,0,0|1,0,1]=4 58 B11R1.28 CCOCCC1=CC=CC=N1 PI-19391 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.28 NCCOCc1ccccc1 PI-36880 [2,0,0,0,0,0|1,0,1]=4 60 B11R1.28 OCCOCc1ccccc1 PI-24526 [2,0,0,0,0,0|1,0,1]=4 61 B13R1.24 CCCCCC(C1=CC=CC=C1)O PI-46929 [1,1,0,0,0,0|1,0,1]=4 62 B13R1.28 BrCCCCCCc1ccccc1 PI-14501 [1,1,0,0,0,0|1,0,1]=4 63 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 PI-28355 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.42 CCOC(=O)CCc1ccccc1 PI-13752 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 PI-26318 [1,1,0,0,0,0|0,0,1]=3 66 B13R1.149 OC(=O)CCCc1cccc(c1)N PI-26975 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.348 OC(=O)C[C@@H](N)Cc1ccccc1 PI-13008 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.348 OC(=O)C[C@H](N)Cc1ccccc1 PI-13007 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.351 C1=C(CCC(C(O)=O)N)C=CC=C1 PI-16082 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.351 C1=CC=C(C=C1)CCC(=O)C(=O)O PI-32065 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-14962 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)N PI-18071 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-20839 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.351 C1=CC=C(C=C1)CCC(C(=O)O)O PI-26069 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.351 NC(C(=O)O)CCc1ccccc1 PI-26025 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)F PI-26771 [1,1,0,0,0,0|2,0,0]=4 77 B13R1.513 C1=CC(=CC=C1CCCC(=O)O)N PI-26159 [1,1,0,0,0,0|2,0,0]=4 78 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O PI-26662 [1,1,0,0,0,0|2,0,0]=4 79 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 PI-46620 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.513 OC(=O)CCCc1ccc(cc1)I PI-26518 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O PI-11989 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br PI-50596 [0,1,0,0,1,0|2,0,0]=4 83 B13R1.15 COC(=O)CCc1cccc(O)c1 PI-36322 [0,1,0,0,1,0|1,0,0]=3 84 B13R1.135 C1=CC=C(C=C1)C[C@@H](C(=O)NN)N PI-50293 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.135 COC(=O)C(=C)CC1=CC=CC=C1 PI-33772 [0,1,0,0,1,0|1,0,1]=4 86 B13R1.135 COC(=O)C(CC1=CC=CC=C1)N PI-18139 [0,1,0,0,1,0|1,0,0]=3 87 B13R1.135 COC(=O)C(CC1=CC=CC=C1)O PI-15702 [0,1,0,0,1,0|1,0,0]=3 88 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N PI-13397 [0,1,0,0,1,0|1,0,0]=3 89 B15R1.26 COC(=O)CCCCC1=CC=C(C=C1)I PI-44028 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.778 CCOC(=O)CCNCc1ccccc1 PI-22053 [0,1,0,0,0,1|1,0,0]=3 91 B15R1.500 CC(C)C(=O)OCC(C)C1=CC=CC=C1 PI-19821 [0,2,0,0,0,0|0,0,0]=2 92 B15R1.826 CCOC(=O)C(=O)CCc1ccccc1 PI-31730 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-11539 [0,2,0,0,0,0|1,0,0]=3 94 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)N PI-35709 [0,2,0,0,0,0|1,0,0]=3 95 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-26090 [0,2,0,0,0,0|1,0,0]=3 96 B15R1.826 CCOC(=O)C(CCC1=CC=CC=C1)O PI-28887 [0,2,0,0,0,0|1,0,0]=3 97 B13R2.3 C1CCC(CC1)c2ccccc2 PI-31984 [1,0,0,1,0,0|1,0,1]=4 98 B13R2.3 C1OC[C@H](NC1)c2ccccc2 PI-36338 [1,0,0,1,0,0|1,0,1]=4 99 B13R2.1613 CCN1CCCc2c1cccc2 PI-37582 [1,0,0,1,0,0|2,0,0]=4 100 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 PI-10343 [1,0,0,1,0,0|1,0,0]=3 101 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 PI-10344 [1,0,0,1,0,0|1,1,0]=4 102 B13R2.10 O=C1CCC(O1)c2ccccc2 PI-18042 [1,0,0,1,0,0|2,0,0]=4 103 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 PI-11224 [1,0,0,1,0,0|1,0,0]=3 104 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 PI-16645 [1,0,0,1,0,0|1,1,0]=4 105 B13R2.31 O=C1CC(OC2=CC=CC=C2)C1 PI-46663 [1,0,0,1,0,0|2,0,0]=4 106 B13R2.72 CC(=O)N1CCc2c1cccc2 PI-11076 [1,0,0,1,0,0|1,0,0]=3 107 B13R2.163 O=C1CCCc2c(N1)cccc2 PI-22730 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.423 C1C(C1C(=O)Cl)C2=CC=CC=C2 PI-17992 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 PI-17993 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.32 CC1C(=O)CCC2=CC=CC=C12 PI-17164 [0,0,0,1,1,0|0,0,0]=2 111 B13R2.33 O=C1CCC2=CC=CC=C2CC1 PI-41940 [0,0,0,1,1,0|0,0,0]=2 112 B13R2.15272 O=C(C1C2=CC=CC=C2C1)OC PI-40939 [0,0,0,1,1,0|1,0,0]=3 113 B15R2.29 O=C1CCN(CC1)Cc2ccccc2 PI-12213 [0,0,0,1,0,1|1,0,0]=3 114 B15R2.3 C1CC(=O)CCC1C2=CC=C(C=C2)O PI-49426 [0,1,0,1,0,0|1,0,0]=3 115 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-10520 [0,1,0,1,0,0|2,0,0]=4 116 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N PI-42010 [0,1,0,1,0,0|2,0,0]=4 117 B15R2.31 C1CC(=O)CN(C1)CC2=CC=CC=C2 PI-11055 [0,1,0,1,0,0|2,0,0]=4 118 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42022 [0,0,0,2,0,0|1,0,0]=3 119 B15R3.2009 C1C2C(C3=CC=CC=C31)NC(=O)O2 PI-42023 [0,0,0,2,0,0|1,0,0]=3 120 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl PI-11944 [1,0,0,0,1,0|1,0,0]=3 121 B11R1.91 C1=CC=C(C=C1)NCC(=O)O PI-14870 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.91 C1=CC=C(C=C1)OCC(=O)O PI-32615 [1,0,0,0,1,0|2,0,0]=4 123 B11R1.91 C1=CC=C(C=C1)OCC(=O)[O-] PI-50538 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.91 CC(=O)NNc1ccccc1 PI-32317 [1,0,0,0,1,0|2,0,0]=4 125 B11R1.91 CC(CCC1=CC=CC=C1)N PI-33450 [1,0,0,0,1,0|1,0,1]=4 126 B11R1.91 C[C@@H](CCC1=CC=CC=C1)O PI-49833 [1,0,0,0,1,0|0,0,2]=4 127 B11R1.91 C[C@H](CCC1=CC=CC=C1)O PI-49832 [1,0,0,0,1,0|0,0,2]=4 128 B11R1.91 [O-]C(=O)CNc1ccccc1 PI-17946 [1,0,0,0,1,0|2,0,0]=4 129 B11R1.91 [O-][N+](=O)CCc1ccccc1 PI-35182 [1,0,0,0,1,0|2,0,0]=4 130 B11R1.25 CCC(=O)SCC1=CC=CO1 PI-48511 [0,0,0,0,2,0|1,1,0]=4 131 B11R1.25 COC(=O)CCc1ccc[nH]1 PI-39032 [0,0,0,0,2,0|2,0,0]=4 132 B11R1.40 C1=CC=C(C=C1)CC(=O)NN PI-30983 [0,0,0,0,2,0|2,0,0]=4 133 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [0,0,0,0,2,0|0,0,2]=4 134 B11R1.40 CCC(=O)CC1=CC=CC=C1 PI-47129 [0,0,0,0,2,0|0,0,0]=2 135 B11R1.40 COC(=O)CC1=CC=CC=N1 PI-48279 [0,0,0,0,2,0|2,0,0]=4 136 B11R1.40 ClCC(=O)Nc1ccccc1 PI-15656 [0,0,0,0,2,0|2,0,0]=4