0 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,0,0,0,0,0|0,0,4]=4 1 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 6710AJ [0,0,0,0,0,0|1,0,2]=3 2 B13R1.42 CCOC(=O)\C=C\C1=CC=CN=C1 V6833 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.42 O=C(CCF)OCC1=CC=CC=C1 6537AJ [0,0,0,0,0,0|3,0,1]=4 4 B13R1.42 O=C(CCO)OCC1=CC=CC=C1 7132AA [0,0,0,0,0,0|3,0,1]=4 5 B12R1.8 OCCC\C=C\C1=CC=CC=C1 1994AH [1,0,0,0,0,0|2,0,1]=4 6 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [1,0,0,0,0,0|0,0,2]=3 7 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [1,0,0,0,0,0|2,0,0]=3 8 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [1,0,0,0,0,0|1,0,2]=4 9 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [1,0,0,0,0,0|1,0,1]=3 10 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 X7985 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [1,0,0,0,0,0|3,0,0]=4 12 B14R1.29 CCOC(=O)CC(N)C1=CC=CC=C1 9645AB [0,1,0,0,0,0|0,0,2]=3 13 B14R1.29 CCOC(=O)CS(=O)C1=CC=CC=C1 8807AL [0,1,0,0,0,0|1,0,1]=3 14 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CC=C1 3269AB [0,1,0,0,0,0|0,0,2]=3 15 B14R1.29 CCOC(=O)C[C@@H](N)C1=CC=CN=C1 3308AL [0,1,0,0,0,0|1,0,2]=4 16 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 3270AB [0,1,0,0,0,0|0,0,2]=3 17 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CN=C1 3312AL [0,1,0,0,0,0|1,0,2]=4 18 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 5520AB [0,1,0,0,0,0|0,0,2]=3 19 B14R1.32 CCOC(=O)CNC1=CC=CC(C)=C1 7455AD [0,1,0,0,0,0|1,0,1]=3 20 B14R1.32 CCOC(=O)COC1=CC=CC(Br)=C1 V2796 [0,1,0,0,0,0|1,0,1]=3 21 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 6660AJ [0,1,0,0,0,0|1,0,1]=3 22 B14R1.32 CCOC(=O)COC1=CC=CC(I)=C1 2843AF [0,1,0,0,0,0|1,0,1]=3 23 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(F)=C1 1269AE [0,1,0,0,0,0|0,0,0]=1 24 B14R1.60 CCNC(=O)C(N)CC1=CC=CC=C1 3092AD [0,1,0,0,0,0|1,0,2]=4 25 B14R1.60 CCOC(=O)C(N)CC1=NC=CC=C1 0821AA [0,1,0,0,0,0|1,0,2]=4 26 B14R1.156 O=C(NCCI)OCC1=CC=CC=C1 0550AC [0,1,0,0,0,0|2,0,1]=4 27 B14R1.502 CCOC(=O)CCC1=CC=C(C)C=C1 1044AC [0,1,0,0,0,0|0,0,2]=3 28 B14R1.502 CCOC(=O)CNC1=CC=C(I)C=C1 4200AD [0,1,0,0,0,0|1,0,1]=3 29 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 X5221 [0,1,0,0,0,0|0,0,0]=1 30 B14R1.502 CCOC(=O)\C=C\C1=CN=C(Cl)C=C1 5045AD [0,1,0,0,0,0|1,0,0]=2 31 B14R1.502 CCOC(=O)\C=N\C1=CC=C(Br)C=C1 5401AC [0,1,0,0,0,0|1,0,0]=2 32 B14R1.598 CCOC(=O)CCC1=CC=CC=C1Cl 3216AB [0,1,0,0,0,0|0,0,2]=3 33 B14R1.598 CCOC(=O)CNC1=CC=CC=C1C 8356AE [0,1,0,0,0,0|1,0,1]=3 34 B14R1.598 CCOC(=O)COC1=CC=CC=C1Br V8949 [0,1,0,0,0,0|1,0,1]=3 35 B14R1.598 CCOC(=O)COC1=CC=CN=C1Br 0662AF [0,1,0,0,0,0|2,0,1]=4 36 B14R1.598 CCOC(=O)\C=C\C1=C(Cl)N=CC=C1 8039AC [0,1,0,0,0,0|1,0,0]=2 37 B14R1.818 CC(C)CC(=O)\C=C\C1=CC=CC=C1 8084AL [0,1,0,0,0,0|1,0,0]=2 38 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 0831AA [0,0,0,1,0,0|1,0,0]=2 39 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 5704AB [0,0,0,1,0,0|2,0,1]=4 40 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 8429AB [0,0,0,1,0,0|1,0,2]=4 41 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 2822AB [0,0,0,1,0,0|1,0,2]=4 42 B14R2.30 O=C1OCC=C1SC2=CC=CC=C2 Y9089 [0,0,0,1,0,0|1,0,1]=3 43 B14R2.112 NCCC1=CC2=C(C=CC=C2)C=C1 1063AJ [0,0,0,1,0,0|3,0,0]=4 44 B14R2.112 NCCC1=NC2=C(C=CC=C2)C=C1 0946AA [0,0,0,1,0,0|3,0,0]=4 45 B14R2.112 OCCC1=CC=C2C=CC=CC2=N1 X8549 [0,0,0,1,0,0|3,0,0]=4 46 B14R2.203 CC1=CC=C2C=CC=CC2=C1CCl 5961AF [0,0,0,1,0,0|3,0,0]=4 47 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 8900AA [0,0,0,0,1,0|1,0,1]=3 48 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,0,0,0,1,0|3,0,0]=4 49 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [0,0,0,0,1,0|3,0,0]=4 50 B12R1.51 CCOC(=O)CCC1=CSC=C1 6952AC [0,0,0,0,1,0|1,0,2]=4 51 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 9674AB [0,0,0,0,0,1|0,0,2]=3 52 B14R1.520 CCOC(=O)\C=C\CC1=CC=CC=C1 0974AD [0,0,0,0,0,1|0,0,0]=1 53 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [2,0,0,0,0,0|2,0,0]=4 54 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [2,0,0,0,0,0|2,0,0]=4 55 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [2,0,0,0,0,0|1,0,1]=4 56 B13R1.11 COC(=O)CC(=O)C1=NC=CC=C1 1722AC [1,1,0,0,0,0|1,0,1]=4 57 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 3493AL [1,1,0,0,0,0|0,0,2]=4 58 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [1,1,0,0,0,0|0,0,2]=4 59 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [1,1,0,0,0,0|0,0,2]=4 60 B13R1.14 COC(=O)CNC1=CC=C(O)C=C1 2266AA [1,1,0,0,0,0|1,0,1]=4 61 B13R1.15 CCC(=O)NCC1=CC(Br)=CC=C1 3634AL [1,1,0,0,0,0|1,0,1]=4 62 B13R1.15 COC(=O)\C=C\C1=CC(O)=CC=C1 7145AJ [1,1,0,0,0,0|0,0,0]=2 63 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 6952AJ [1,1,0,0,0,0|0,0,2]=4 64 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 2136AB [1,1,0,0,0,0|0,0,2]=4 65 B13R1.351 CC(Br)C(=O)NCC1=CC=CC=C1 7679AE [1,1,0,0,0,0|1,0,1]=4 66 B13R1.528 COC(=O)CCC1=CC=CC=C1F V3256 [1,1,0,0,0,0|0,0,2]=4 67 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 9763AC [0,1,0,0,1,0|2,0,0]=4 68 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 9057AA [0,1,0,0,1,0|1,0,1]=4 69 B13R1.19 CCOC(=O)NC1=CC=C(O)C=C1 3420AL [0,1,0,0,1,0|1,0,0]=3 70 B13R1.20 CCCC(=O)NC1=CC(N)=CC=C1 3629AF [0,1,0,0,1,0|2,0,0]=4 71 B13R1.20 CCOC(=O)CC1=CN=CC(Br)=C1 3029AC [0,1,0,0,1,0|1,0,1]=4 72 B13R1.47 C=C(C(=O)OCC)C1=CC=CC=C1 1276AB [0,1,0,0,1,0|0,0,0]=2 73 B13R1.47 CCOC(=O)C(N)C1=CC=NC=C1 6684AJ [0,1,0,0,1,0|1,0,1]=4 74 B13R1.47 CCOC(=O)N(C)C1=CC=CC=C1 5696AF [0,1,0,0,1,0|1,0,0]=3 75 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [0,1,0,0,1,0|2,0,0]=4 76 B13R1.470 CCOC(=O)CC1=C(Br)C=NC=C1 7074AB [0,1,0,0,1,0|1,0,1]=4 77 B13R1.33 CCOC(=O)CC(=O)C1=COC=C1 W5800 [0,1,0,0,1,0|1,0,1]=4 78 B15R1.11 CCOC(=O)NCCC1=CC=C(O)C=C1 8424AE [0,1,0,0,0,1|0,0,2]=4 79 B15R1.89 CCOC(=O)CCC(=O)C1=CC=CC=N1 8815AD [0,1,0,0,0,1|1,0,1]=4 80 B15R1.89 CCOC(=O)CCC(=O)C1=CC=NC=C1 8457AD [0,1,0,0,0,1|1,0,1]=4 81 B15R1.89 CCOC(=O)CNC(=O)C1=NC=CC=C1 5164AB [0,1,0,0,0,1|1,0,1]=4 82 B15R1.89 CCOC(=O)CN[C@@H](C)C1=CC=CC=C1 6627AJ [0,1,0,0,0,1|0,0,2]=4 83 B15R1.826 CCOC(=O)C(=O)NCC1=CC=CC=C1 3305AL [0,1,0,0,0,1|0,0,1]=3 84 B15R1.826 CCOC(=O)[C@@H](O)CCC1=CC=CC=C1 X9633 [0,1,0,0,0,1|0,0,2]=4 85 B15R1.23 CCOC(=O)CC(=O)C1=CN=C(Br)C=C1 6720AJ [0,2,0,0,0,0|1,0,1]=4 86 B15R1.24 CCOC(=O)CC(=O)C1=CC(O)=CC=C1 6708AJ [0,2,0,0,0,0|0,0,1]=3 87 B15R1.115 O=C(CCCO)CC(=O)C1=CC=CC=C1 8069AD [0,2,0,0,0,0|1,0,1]=4 88 B15R1.578 CCOC(=O)C(Br)C(=O)C1=CC=CC=C1 Z3671 [0,2,0,0,0,0|0,0,1]=3 89 B15R1.3722 CCOC(=O)CC(N)C1=C(Cl)C=CC=C1 3979AF [0,2,0,0,0,0|0,0,2]=4 90 B15R1.1002 COC(=O)C(=O)\C=C\C1=CC(Cl)=CC=C1 8779AC [0,2,0,0,0,0|2,0,0]=4 91 B15R1.3858 CCOC(=O)\C=C\C1=C(N)N=CC(Br)=C1 3355AL [0,2,0,0,0,0|1,0,0]=3 92 B15R1.10389 CCOC(=O)CCC1=CC(C#N)=CC=C1 0160AA [0,2,0,0,0,0|0,0,2]=4 93 B15R1.10390 CCOC(=O)CNC1=CC(Cl)=C(F)C=C1 7939AD [0,2,0,0,0,0|1,0,1]=4 94 B15R1.48 CCOC(=O)C(=O)CC1=CC=C(Cl)C=C1 4689AF [0,2,0,0,0,0|0,0,1]=3 95 B15R1.48 CCOC(=O)C(N)CC1=CC=C(O)C=C1 V6633 [0,2,0,0,0,0|0,0,2]=4 96 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=CC=C1 5962AF [0,2,0,0,0,0|0,0,0]=2 97 B15R1.640 CCOC(=O)\C(C#N)=C\C1=CC=NC=C1 2715AD [0,2,0,0,0,0|1,0,0]=3 98 B15R1.10540 CCOC(=O)C(C)(C)CC1=CC=CC=C1 W9709 [0,2,0,0,0,0|0,0,2]=4 99 B15R1.5919 O=C(O)CNC(=O)\C=C\C1=CC=CC=C1 2827AH [0,2,0,0,0,0|1,0,1]=4 100 B15R1.791 CCOC(=O)COC1=C(Cl)C=C(Cl)C=C1 5070AE [0,2,0,0,0,0|1,0,1]=4 101 B15R1.791 CCOC(=O)\C=C\C1=CC=C(F)C=C1F 6228AA [0,2,0,0,0,0|0,0,0]=2 102 B15R1.793 CCOC(=O)C#CC1=CC=C(OC)C=C1 7227AB [0,2,0,0,0,0|0,0,2]=4 103 B15R1.793 CCOC(=O)CCC1=CC=C(CN)C=C1 4052AJ [0,2,0,0,0,0|0,0,2]=4 104 B15R1.793 CCOC(=O)CCC1=CC=C(CN)C=C1 4053AJ [0,2,0,0,0,0|0,0,2]=4 105 B15R1.793 CCOC(=O)CNC1=CC=C(C#N)C=C1 1060AB [0,2,0,0,0,0|1,0,1]=4 106 B15R1.793 CCOC(=O)CNC1=CC=C(OC)C=C1 V6291 [0,2,0,0,0,0|1,0,1]=4 107 B15R1.793 CCOC(=O)\C=C\C1=CC=C(C#N)C=C1 7863AL [0,2,0,0,0,0|0,0,0]=2 108 B15R1.1323 COC(=O)C(=O)\C=C\C1=C(Br)C=CC=C1 4377AF [0,2,0,0,0,0|2,0,0]=4 109 B15R1.3465 CC(C)(C)OC(=O)N=CC1=CC=CC=C1 0240AQ [0,2,0,0,0,0|1,0,0]=3 110 B15R1.3465 CC(C)(C)OC(=O)NNC1=CC=CC=C1 1468AL [0,2,0,0,0,0|2,0,0]=4 111 B13R1.464 CCOC(=O)C1=CC=CC=C1CBr 1039AC [0,0,1,1,0,0|1,0,1]=4 112 B13R1.464 CCOC(=O)C1=CC=CC=C1NC W5709 [0,0,1,1,0,0|1,0,1]=4 113 B13R1.460 C#CC1=CC(C(=O)OCC)=CC=C1 X5176 [0,0,1,1,0,0|0,0,2]=4 114 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 1095AB [0,0,1,1,0,0|2,0,0]=4 115 B13R1.460 CCOC(=O)C1=CC=CC(NN)=C1 W9322 [0,0,1,1,0,0|2,0,0]=4 116 B13R1.460 CCOC(=O)C1=NC(C=O)=CC=C1 W4522 [0,0,1,1,0,0|2,0,0]=4 117 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(O)=C1 5080AB [0,0,1,1,0,0|2,0,0]=4 118 B13R1.446 CCOC(=O)C1=C(F)C=CC(C)=C1 6695AJ [0,0,1,1,0,0|1,0,1]=4 119 B13R1.446 CCOC(=O)C1=C(F)C=CC(Cl)=C1 9554AE [0,0,1,1,0,0|2,0,0]=4 120 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 7587AA [0,0,1,1,0,0|2,0,0]=4 121 B13R1.446 CCOC(=O)C1=C(S)C=CC(F)=C1 1202AQ [0,0,1,1,0,0|2,0,0]=4 122 B13R1.446 CCOC(=O)C1=CC(F)=CC=C1O 3736AE [0,0,1,1,0,0|2,0,0]=4 123 B13R1.446 CCOC(=O)C1=CC(I)=CC=C1C 9172AB [0,0,1,1,0,0|1,0,1]=4 124 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 H332 [1,0,0,1,0,0|1,0,1]=4 125 B13R2.3 C1=CC=C(C2=CCOCC2)C=C1 Y8690 [1,0,0,1,0,0|0,0,1]=3 126 B13R2.1613 CCC1=NC=CC2=CC=CC=C21 1932AC [1,0,0,1,0,0|2,0,0]=4 127 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 2385AJ [1,0,0,1,0,0|0,0,0]=2 128 B13R2.57 CNC1=CC=C2C=CC=CC2=N1 3764AL [1,0,0,1,0,0|2,0,0]=4 129 B13R2.57 ClCC1=CC=C2C=CC=CC2=C1 8370AD [1,0,0,1,0,0|2,0,0]=4 130 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 Y6233 [1,0,0,1,0,0|2,0,0]=4 131 B13R2.57 NCC1=NC2=C(C=CC=C2)C=C1 1546AJ [1,0,0,1,0,0|2,0,0]=4 132 B13R2.57 OCC1=NC2=C(C=CC=C2)C=C1 2320AB [1,0,0,1,0,0|2,0,0]=4 133 B13R2.449 CCOC1=CC2=C(C=CN2)C=C1 S411 [0,0,0,1,1,0|2,0,0]=4 134 B13R2.449 CCOC1=CC=C2NC=CC2=N1 1611AB [0,0,0,1,1,0|2,0,0]=4 135 B15R2.73 CCOC(=N)C1=CNC2=C1C=CC=C2 0171AB [0,0,0,1,0,1|1,0,0]=3 136 B15R2.73 CCOC(=O)C1=CN=C2C=NC=CN12 9739AL [0,0,0,1,0,1|2,0,0]=4 137 B15R2.73 CCOC(=O)C1=CNC2=C1C=CN=C2 0298AC [0,0,0,1,0,1|1,0,0]=3 138 B15R2.73 CCOC(=O)C1=COC2=CC=CC=C21 0060AB [0,0,0,1,0,1|0,0,0]=2 139 B15R2.73 CCOC(=O)C1=CSC2=C1C=CC=C2 8630AJ [0,0,0,1,0,1|0,0,0]=2 140 B15R2.73 CCOC(=O)C1=NNC2=C1N=CC=C2 4480AA [0,0,0,1,0,1|2,0,0]=4 141 B15R2.73 CCOC(=O)C1CNC2=CC=CC=C21 2560AA [0,0,0,1,0,1|0,0,2]=4 142 B15R2.543 O=C1C=C(C2=CC=CC=C2)NCCN1 8489AB [0,1,0,1,0,0|1,0,0]=3 143 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 3161AB [0,1,0,1,0,0|2,0,0]=4 144 B15R2.10252 CCCC1=CC2=C(C=C1)C=C(O)C=C2 L865 [0,1,0,1,0,0|2,0,0]=4 145 B15R2.888 CCOC1=C(Cl)N=C2C=CC=CC2=N1 Z2526 [0,1,0,1,0,0|2,0,0]=4 146 B15R2.1356 CCOC(=O)C1=CC2=C(C=CN=C2)N1 Y4124 [0,1,0,1,0,0|1,0,0]=3 147 B15R2.1356 CCOC(=O)C1=CC2=C(N=CC=C2)S1 6467AE [0,1,0,1,0,0|1,0,0]=3 148 B15R2.1356 CCOC(=O)C1=CC2=CN=CC=C2N1 9887AH [0,1,0,1,0,0|1,0,0]=3 149 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 8482AD [0,1,0,1,0,0|1,0,0]=3 150 B15R2.1356 CCOC(=O)C1=NC2=CC=CC=C2O1 2594AB [0,1,0,1,0,0|1,0,0]=3 151 B15R2.352 C#CCOC1=CC2=CC=CC=C2C=C1 4991AL [0,1,0,1,0,0|1,0,1]=4 152 B15R2.352 CCCOC1=CC=C2C=CC=CC2=N1 V9449 [0,1,0,1,0,0|1,0,0]=3 153 B15R2.352 OCCOC1=CC=C2C=CC=CC2=C1 5772AC [0,1,0,1,0,0|1,0,0]=3 154 B15R2.309 O=C1C=C(C2=CC=C(Cl)C=C2)C(=O)O1 9989AD [0,1,0,1,0,0|1,0,1]=4 155 B15R2.1601 CCC(=O)C1=CC2=C(C=CC=C2)C=C1 9940AH [0,1,0,1,0,0|2,0,0]=4 156 B15R2.327 CC1(C)OC(=O)N[C@@H]1C2=CC=CC=C2 8784AA [0,1,0,1,0,0|1,0,1]=4 157 B15R2.2220 CCOC1=CC=C2C=CC=CC2=C1Br Z0642 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [1,0,0,0,1,0|1,0,0]=3 159 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [1,0,0,0,1,0|1,0,1]=4 160 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [1,0,0,0,1,0|2,0,0]=4 161 B11R1.40 NCC(=O)NC1=CC=CC=C1 4165AE [1,0,0,0,1,0|2,0,0]=4 162 B11R1.16 CCOC(=N)C1=CC=NC=C1 Y9045 [0,0,0,0,2,0|2,0,0]=4 163 B11R1.16 CCOC(=O)C1=CC=NN=C1 5094AB [0,0,0,0,2,0|2,0,0]=4 164 B11R1.16 C\C=C\C(=O)C1=CC=CC=C1 6705AB [0,0,0,0,2,0|1,0,1]=4 165 B11R1.30 CCOC(=O)NC1=CC=CS1 5602AJ [0,0,0,0,2,0|2,0,0]=4 166 B15R1.778 CCOC(=O)CCCOC1=CC=CC=C1 7865AL [0,0,0,0,0,2|0,0,2]=4