0 B11R1.17 C=CCOC1=C(C)C=CC=C1 7034AL [1,0,0,0,0,0|2,0,1]=4 1 B11R1.17 O=CCCC1=CC=CC=C1F W3826 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.17 O=C\C=C\C1=CC=CC=C1Cl Z3544 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.41 C=CCC1=CC=CC=C1OC 0626AQ [1,0,0,0,0,0|0,0,1]=2 4 B11R1.41 CNCC1=C(OC)C=CC=C1 0580AC [1,0,0,0,0,0|1,0,2]=4 5 B11R1.41 COC1=C(CCBr)C=CC=C1 1683AE [1,0,0,0,0,0|1,0,2]=4 6 B11R1.41 COC1=CC=CC=C1CCO Z5088 [1,0,0,0,0,0|0,0,3]=4 7 B11R1.41 COC1=CC=CC=C1CNN 2282AC [1,0,0,0,0,0|2,0,1]=4 8 B13R1.90 COC1=C(OCC(N)=O)C=CC=C1 6162AD [0,1,0,0,0,0|1,0,1]=3 9 B13R1.90 COC1=C(\C=C\C(=O)O)C=CC=C1 Y1994 [0,1,0,0,0,0|0,0,0]=1 10 B13R1.90 COC1=CC=CC=C1CCC(=O)O Y9683 [0,1,0,0,0,0|0,0,2]=3 11 B13R1.90 CSC1=CC=CC=C1OCC(=O)O 0854AE [0,1,0,0,0,0|1,1,1]=4 12 B13R1.91 COC(=O)CC1=CC=CC=C1OC 5688AL [0,1,0,0,0,0|2,0,1]=4 13 B13R1.91 COC1=CC=CC=C1NC(=O)CBr 0227AE [0,1,0,0,0,0|2,0,1]=4 14 B13R1.91 COC1=CC=CC=C1NC(=O)CCl 5621AE [0,1,0,0,0,0|2,0,1]=4 15 B13R2.32 CC1=C(Br)C=CC2=CC=CN=C21 V7836 [0,0,0,1,0,0|3,0,0]=4 16 B13R2.32 CC1=C(Cl)C=CC2=CC=CN=C21 W8475 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.32 CC1=CC=C2C=CC=CC2=C1C 5964AF [0,0,0,1,0,0|2,0,0]=3 18 B13R2.32 CC1=CC=C2C=CC=CC2=C1N 4747AL [0,0,0,1,0,0|3,0,0]=4 19 B13R2.32 CC1=CC=C2C=CC=CC2=C1O W8230 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.32 NC1=C(Br)C=CC2=CC=CC=C21 2021AC [0,0,0,1,0,0|3,0,0]=4 21 B13R2.32 NC1=CC=C2C=CC=CC2=C1Br X5198 [0,0,0,1,0,0|3,0,0]=4 22 B13R2.32 NC1=CC=C2C=CC=CC2=C1N 5999AC [0,0,0,1,0,0|3,0,0]=4 23 B13R2.32 NC1=CC=C2C=CC=CC2=C1O X4573 [0,0,0,1,0,0|3,0,0]=4 24 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O C568 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.32 OC1=C2C=CC=CC2=CC=C1Br W8374 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 4868AB [0,0,0,1,0,0|1,0,2]=4 27 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 Y8526 [0,0,0,1,0,0|1,0,0]=2 28 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 N956 [0,0,0,1,0,0|2,0,1]=4 29 B13R2.57 O=CC1=CC2=C(C=CC=C2)OC1 Y9292 [0,0,0,1,0,0|0,0,0]=1 30 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 W6893 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 Y5428 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 Y7684 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.573 COC1=C2OCC(=O)C2=CC=C1 X5369 [0,0,0,1,0,0|1,0,1]=3 34 B13R2.573 COC1=CC=CC2=C1CNC2=O Z4658 [0,0,0,1,0,0|1,0,1]=3 35 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 2218AA [0,0,0,1,0,0|2,0,0]=3 36 B13R2.1613 CNC1=CC=CC2=C1C=CC=C2 8594AL [0,0,0,1,0,0|2,0,0]=3 37 B13R2.1613 COC1=C2N=CC=CC2=CC=C1 V9325 [0,0,0,1,0,0|2,0,0]=3 38 B13R2.1613 NNC1=C2C=CC=CC2=CC=C1 R044 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.4 C=CCC1=C(C)C=CC=C1 7968AA [2,0,0,0,0,0|0,0,1]=3 40 B10R1.4 CC1=C(NC=O)C=CC=C1 5730AL [2,0,0,0,0,0|1,0,0]=3 41 B10R1.17 O=C\C=C\C1=CC=NC=C1 7159AL [2,0,0,0,0,0|1,0,0]=3 42 B10R1.20 C#CC1=C(OC)C=CC=C1 1967AC [2,0,0,0,0,0|0,0,2]=4 43 B10R1.20 CCC1=CC=CC=C1OC 5616AL [2,0,0,0,0,0|0,0,2]=4 44 B10R1.20 CNC1=C(C=O)C=CC=N1 0212AE [2,0,0,0,0,0|2,0,0]=4 45 B10R1.20 CNC1=C(OC)C=CC=C1 1244AA [2,0,0,0,0,0|1,0,1]=4 46 B10R1.20 COC1=C(C=O)C=CN=C1 9666AA [2,0,0,0,0,0|1,0,0]=3 47 B10R1.20 COC1=CC=CC=C1CN W6218 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.20 COC1=CC=CC=C1SC L298 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.20 COC1=CC=CN=C1C=O V3952 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.20 COC1=NC=CC=C1C=O V1359 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl Y8199 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl 3420AB [1,1,0,0,0,0|2,0,0]=4 53 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1F 5267AB [1,1,0,0,0,0|2,0,0]=4 54 B12R1.1631 O=C\C=C\C1=C(F)C=CC=C1F 5357AJ [1,1,0,0,0,0|1,0,0]=3 55 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 3627AL [1,1,0,0,0,0|2,0,0]=4 56 B12R1.75 CCC1=C(OC(C)=O)C=CC=C1 6982AL [1,1,0,0,0,0|2,0,0]=4 57 B12R1.75 COC1=C(NC(=N)N)C=CC=C1 7462AH [1,1,0,0,0,0|2,0,0]=4 58 B12R1.75 COC1=CC=CC=C1OC(=O)O D884 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.96 COC1=CC=CC=C1OCCC(=O)O 6880AD [0,2,0,0,0,0|0,0,2]=4 60 B14R1.863 COC(=O)CCC1=CC=CC=C1OC 1215AQ [0,2,0,0,0,0|0,0,2]=4 61 B14R1.482 CCOC1=C(CCC(=O)O)C=CC=C1 7514AD [0,2,0,0,0,0|0,0,2]=4 62 B14R1.482 CCOC1=C(\C=C\C(=O)O)C=CC=C1 8181AE [0,2,0,0,0,0|0,0,0]=2 63 B14R1.482 CCOC1=CC=CC=C1OCC(=O)O 3637AB [0,2,0,0,0,0|1,0,1]=4 64 B14R1.840 COC1=C([C@@H](N)CC(=O)O)C=CC=C1 1185AC [0,2,0,0,0,0|0,0,2]=4 65 B14R1.3135 COC1=C(C[C@@H](N)C(=O)O)C=CC=C1 8755AA [0,2,0,0,0,0|0,0,2]=4 66 B12R1.435 COC(=O)C1=NC=CC(C=O)=C1 Y9710 [0,0,1,1,0,0|2,0,0]=4 67 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 Y4452 [0,0,1,1,0,0|2,0,0]=4 68 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 0376AC [0,0,1,1,0,0|0,0,2]=4 69 B12R1.450 COC1=CC(O)=C(C=O)C=C1Br 6339AJ [0,0,1,1,0,0|2,0,0]=4 70 B12R1.78 COC1=CC=C(C=O)C(C#N)=C1 X4752 [0,0,1,1,0,0|1,0,1]=4 71 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [1,0,0,1,0,0|1,0,1]=4 72 B12R2.32 N#CC1=CC2=CC=CC=C2O1 W6191 [1,0,0,1,0,0|1,0,1]=4 73 B12R2.32 NCC1=CC2=CC=CC=C2O1 Y8923 [1,0,0,1,0,0|1,0,1]=4 74 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 Y9672 [1,0,0,1,0,0|2,0,0]=4 75 B12R2.32 O=CC1=CC2=CC=CN=C2N1 Y8980 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.32 O=CC1=CC2=CC=CN=C2S1 Y9351 [1,0,0,1,0,0|1,1,0]=4 77 B12R2.32 O=CC1=CN2C=CC=CC2=N1 Y7185 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.196 CC1=C2CNC(=O)C2=CC=C1 2888AJ [1,0,0,1,0,0|1,0,1]=4 79 B12R2.196 CC1=C2ONC(=O)C2=CC=C1 4584AB [1,0,0,1,0,0|2,0,0]=4 80 B12R2.196 O=C1NCC2=C1C=CC=C2O Z4657 [1,0,0,1,0,0|1,0,1]=4 81 B12R2.1081 FC1=CC=CC2=C1C=CC=N2 5158AB [1,0,0,1,0,0|2,0,0]=4 82 B12R2.1081 OC1=C2C=CC=CC2=CN=C1 W5508 [1,0,0,1,0,0|2,0,0]=4 83 B12R2.1081 OC1=C2C=NC=CC2=CC=C1 Y5395 [1,0,0,1,0,0|2,0,0]=4 84 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 I394 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.1 O=CC1=COC2=CC=CC=C12 X6366 [1,0,0,1,0,0|0,0,1]=3 86 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 1660AL [1,0,0,1,0,0|1,0,1]=4 87 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9916AH [1,0,0,1,0,0|2,0,0]=4 88 B12R2.18 CN1C(O)=CC2=CC=CC=C21 2768AF [1,0,0,1,0,0|1,0,1]=4 89 B12R2.315 COC1=C2C=CNC2=NC=C1 Y5244 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.315 COC1=CC=CC2=C1NN=C2 Y7436 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.1060 CC1=C(C=O)NC2=CC=C(Cl)C=C21 2798AE [0,1,0,1,0,0|2,0,0]=4 92 B14R2.1060 CC1=CC=C2OC(C=O)=C(C)C2=C1 5407AD [0,1,0,1,0,0|2,0,0]=4 93 B14R2.1146 COC1=CC(=O)NC2=CC=CC=C21 2647AB [0,1,0,1,0,0|2,0,0]=4 94 B14R2.1146 COC1=CC(C)=NC2=CC=CC=C21 3491AB [0,1,0,1,0,0|2,0,0]=4 95 B14R2.2332 O=CC1=CC2=C(C=C1)C=C(O)C=C2 L859 [0,1,0,1,0,0|1,0,1]=4 96 B14R2.2332 O=CC1=CC=C2C=C(Br)C=CC2=C1 V3743 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.4513 CN1C(=O)C=CC2=CC=C(Br)C=C21 3667AJ [0,1,0,1,0,0|1,0,0]=3 98 B14R2.4513 CN1C(=O)C=NC2=C1C=C(Br)C=C2 W8598 [0,1,0,1,0,0|2,0,0]=4 99 B14R2.5634 CC1=CC2=C(C=C1)OCC(=O)CO2 D508 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.92 O=CC1=C(Cl)C2=C(C=CC=C2)CC1 Y8729 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.1072 CCC1=C2NC=C(C=O)C2=CC=C1 4859AD [0,1,0,1,0,0|1,0,0]=3 102 B14R2.1072 COC1=CC=CC2=C1NC=C2C=O B502 [0,1,0,1,0,0|0,0,0]=2 103 B14R2.1078 COC1=CC=CC2=C(O)N=CN=C12 Z4238 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.1078 COC1=CC=CC2=C1N=CC=C2O 0835AB [0,1,0,1,0,0|0,0,1]=3 105 B14R2.2 O=C(O)CC1=COC2=CC=CC=C12 U324 [0,1,0,1,0,0|0,0,2]=4 106 B14R2.450 CC1=C(C(=O)O)CC2=C1C=CC=C2 0916AE [0,1,0,1,0,0|1,0,1]=4 107 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 8267AC [0,1,0,1,0,0|2,0,0]=4 108 B14R2.781 CC(=O)C1=CC2=CC=CC=C2N=C1 Y8740 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.781 NC(=O)C1=CC2=CC=CC=C2C=N1 Y9254 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)C1 Y7124 [0,1,0,1,0,0|0,0,2]=4 111 B14R2.781 O=C(O)[C@H]1COC2=CC=CC=C2O1 W8006 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.781 O=C([O-])C1=CC=C2C=CC=CC2=C1 5743AL [0,1,0,1,0,0|1,0,1]=4 113 B14R2.781 [C@@H]1(C(=O)O)COC2=CC=CC=C2O1 0998AC [0,1,0,1,0,0|1,0,1]=4 114 B14R2.1073 COC1=C2C=CC(Br)=CC2=NC=C1 Z6898 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.11645 CCC1=CC=CC2=C1NC(=O)C2=O W8484 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.11645 COC1=CC=CC2=C1NC(=O)C2=O Z5172 [0,1,0,1,0,0|1,0,0]=3 117 B14R2.11684 COC1=C2C=C(Br)C=CC2=NC=C1 W8973 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.11684 COC1=CC=CC2=CC=C(C)N=C21 X5242 [0,1,0,1,0,0|2,0,0]=4 119 B14R2.7150 CCNC1=C2C=CC=CC2=CC=C1 8547AL [0,1,0,1,0,0|2,0,0]=4 120 B14R2.7150 CCNC1=C2C=CC=CC2=CC=C1 G863 [0,1,0,1,0,0|2,0,0]=4 121 B14R2.7150 CCOC1=C2C=CC=CC2=CC=C1 4835AL [0,1,0,1,0,0|1,0,0]=3 122 B14R2.7150 ClCCC1=CC=CC2=C1C=CC=C2 X4572 [0,1,0,1,0,0|2,0,0]=4 123 B14R2.7724 CC1=CC(=O)N(C)C2=C1C=CC=C2 W4917 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 6531AE [0,1,0,1,0,0|2,0,0]=4 125 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br W7408 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.1128 O=CC1=C(O)N=C2C=CC=CC2=C1 V8984 [0,1,0,1,0,0|1,0,1]=4 127 B14R2.134 O=CC1=CC2=C(C=CC(Br)=C2)OC1 5950AH [0,1,0,1,0,0|0,0,0]=2 128 B14R2.134 O=CC1=CC2=C(C=CC(Cl)=C2)OC1 5959AH [0,1,0,1,0,0|0,0,0]=2 129 B14R2.1095 CC1=CC2=C(C=C1)N(C)C(C=O)=C2 1632AF [0,1,0,1,0,0|1,0,0]=3 130 B14R2.1131 COC1=C2C=CC=CC2=C(Br)C=N1 W8225 [0,1,0,1,0,0|2,0,0]=4 131 B14R2.1131 COC1=C2C=CC=CC2=C(N)C=C1 V9189 [0,1,0,1,0,0|1,0,0]=3 132 B14R2.1131 COC1=CC=C(F)C2=C1N=CC=C2 6773AL [0,1,0,1,0,0|2,0,0]=4 133 B14R2.31359 CC(O)C1=C2C=CC=CC2=CC=C1 1367AL [0,1,0,1,0,0|2,0,0]=4 134 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 5973AF [0,1,0,1,0,0|2,0,0]=4 135 B14R2.31359 C[C@H](O)C1=C2C=CC=CC2=CC=C1 W3453 [0,1,0,1,0,0|2,0,0]=4 136 B14R2.2151 CC1=CC=CC2=C1NC(C=O)=C2C 4459AD [0,1,0,1,0,0|2,0,0]=4