0 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.91 CC(C)NCC1=CN=CC=C1 7190AJ [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,0,0,0,0,0|2,0,0]=2 5 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,0,0,0,0,0|2,0,0]=2 6 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,0|2,0,1]=3 7 B11R1.91 N=C(N)COC1=CC=CC=C1 0368AC [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,0|2,0,2]=4 9 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,0|3,0,1]=4 11 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,0|3,0,1]=4 15 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [0,0,0,0,0,0|2,0,2]=4 16 B10R1.17 CCCCC1=CC=CN=C1 X7086 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.17 CCCCC1=NC=CC=C1 S413 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 CCNCC1=CC=CN=C1 Y5832 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.17 CNCCC1=CC=CN=C1 7424AH [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 CNCCC1=CC=NC=C1 5552AE [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 CNCCC1=CC=NC=C1 X8552 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.17 CNCCC1=CN=CC=C1 6627AD [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 COCCC1=NC=CC=C1 4987AL [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 N#CCCC1=CC=CC=N1 1449AE [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 N#CCCC1=CC=NC=C1 2937AC [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 NCC#CC1=CC=CC=C1 1105AQ [1,0,0,0,0,0|1,0,2]=4 27 B10R1.17 NCCCC1=CC=CC=N1 7820AA [1,0,0,0,0,0|2,0,0]=3 28 B10R1.17 NCCNC1=CC=CC=N1 1624AC [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 NCCNC1=CC=CN=C1 4424AJ [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 NCCOC1=CC=CN=C1 Z4583 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.17 NCCOC1=CC=NC=C1 1280AJ [1,0,0,0,0,0|3,0,0]=4 32 B10R1.17 NCCOC1=CC=NC=C1 2194AB [1,0,0,0,0,0|3,0,0]=4 33 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,0,0,0,0,0|2,0,0]=3 34 B10R1.17 NCCSC1=CC=CC=N1 3135AE [1,0,0,0,0,0|3,0,0]=4 35 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,0,0,0,0,0|1,0,2]=4 36 B10R1.17 OCC#CC1=CC=CC=N1 5627AJ [1,0,0,0,0,0|1,0,2]=4 37 B10R1.17 OCCCC1=NC=CC=C1 5625AJ [1,0,0,0,0,0|1,0,0]=2 38 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,0,0,0,0,0|1,0,2]=4 39 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,1,0,0,0,0|1,0,2]=4 40 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,0|0,0,2]=3 41 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 0960AQ [0,1,0,0,0,0|1,0,2]=4 42 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 0111AB [0,1,0,0,0,0|2,0,0]=3 43 B12R1.21 CC(C)CNC1=NC=C(Br)C=C1 9457AD [0,1,0,0,0,0|3,0,0]=4 44 B12R1.21 CC(C)COC1=CC=C(Br)C=C1 Z0494 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 7280AJ [0,1,0,0,0,0|2,0,0]=3 46 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,1,0,0,0,0|0,0,0]=1 47 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,1,0,0,0,0|2,0,1]=4 48 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,1,0,0,0,0|2,0,1]=4 49 B12R1.21 CC1=CC=C(OCC(C)O)C=C1 4293AL [0,1,0,0,0,0|1,0,0]=2 50 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,1,0,0,0,0|0,0,0]=1 51 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,1,0,0,0,0|1,0,1]=3 52 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,1,0,0,0,0|1,0,0]=2 53 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,0|0,0,2]=3 54 B12R1.27 CCC(O)C#CC1=CC=CC=C1 1009AQ [0,1,0,0,0,0|0,0,2]=3 55 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,0|1,0,2]=4 56 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [0,1,0,0,0,0|1,0,2]=4 57 B12R1.27 N\C(COC1=CC=CC=C1)=N/O 2638AF [0,1,0,0,0,0|2,0,1]=4 58 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,1,0,0,0,0|0,0,2]=3 59 B12R1.43 CC(Br)C(=O)NC1=CC=CC=C1 3918AF [0,1,0,0,0,0|2,0,1]=4 60 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 2901AB [0,1,0,0,0,0|1,0,1]=3 61 B12R1.43 CC(C)C(=O)CC1=NC=CC=C1 2329AJ [0,1,0,0,0,0|2,0,1]=4 62 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,0|2,0,1]=4 63 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 7223AD [0,1,0,0,0,0|2,0,1]=4 64 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 4801AD [0,1,0,0,0,0|2,0,1]=4 65 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,0|2,0,1]=4 66 B12R1.43 CN(C)C(=S)CC1=CC=CC=C1 5910AD [0,1,0,0,0,0|2,0,1]=4 67 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,0|1,0,1]=3 68 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,0|2,0,1]=4 69 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 9377AA [0,1,0,0,0,0|2,0,1]=4 70 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,0|2,0,1]=4 71 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [0,1,0,0,0,0|2,0,1]=4 72 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 W6216 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 V7883 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 X9200 [0,1,0,0,0,0|1,0,0]=2 76 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 W6864 [0,1,0,0,0,0|2,0,1]=4 77 B12R1.107 CC(C)NC(C)C1=CC=CC=C1 W4133 [0,1,0,0,0,0|2,0,0]=3 78 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 0890AC [0,1,0,0,0,0|2,0,0]=3 79 B12R1.107 C[S+](C)CC(=O)C1=CC=CC=C1 7718AL [0,1,0,0,0,0|2,0,1]=4 80 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 7786AA [0,1,0,0,0,0|2,0,1]=4 81 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,0|0,0,2]=3 82 B12R1.125 CC(C)CNC1=C(N)C=CC=N1 7592AC [0,1,0,0,0,0|3,0,0]=4 83 B12R1.125 CC(C)COC1=CC=CC=C1N 3123AD [0,1,0,0,0,0|2,0,0]=3 84 B12R1.125 CC(C)SCC1=CC=CC=C1Br Z8854 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,1,0,0,0,0|2,0,1]=4 86 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,1,0,0,0,0|2,0,1]=4 87 B12R1.125 O=C(O)CNC1=CC=CC=C1F W6767 [0,1,0,0,0,0|2,0,1]=4 88 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 8114AC [0,1,0,0,0,0|2,0,1]=4 89 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,0|0,0,2]=3 90 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 3093AF [0,1,0,0,0,0|2,0,0]=3 91 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,0,0|1,0,2]=4 92 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,0,0|1,0,1]=3 93 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 V3888 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.891 C[Si](C)(C)NCC1=CC=CC=C1 8511AL [0,1,0,0,0,0|2,1,0]=4 95 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,1,0,0,0,0|2,0,0]=3 96 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,0|1,0,2]=4 97 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,0,0,1,0,0|1,0,0]=2 98 B12R2.24 CC1COC2=CC=CC=C2N1 0197AE [0,0,0,1,0,0|2,0,0]=3 99 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [0,0,0,1,0,0|2,0,0]=3 100 B12R2.24 NC1CCC2=C(C=CC=C2)C1 W3803 [0,0,0,1,0,0|1,0,0]=2 101 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [0,0,0,1,0,0|1,0,0]=2 102 B12R2.24 NC1CNC2=CC=CC=C2C1 5514AB [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 NC1COC2=C(C=CC=C2)C1 9046AB [0,0,0,1,0,0|2,0,0]=3 104 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,0|1,0,2]=4 105 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,0,0,1,0,0|1,0,2]=4 106 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,1,0,0|2,0,0]=3 107 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 6521AD [0,0,0,1,0,0|3,0,0]=4 108 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 V5734 [0,0,0,1,0,0|2,0,0]=3 109 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 Z9695 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.2057 C1=CC=C(CNC2CC2)N=C1 6937AE [0,0,0,1,0,0|3,0,0]=4 111 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 V3942 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,1,0,0|1,0,1]=3 113 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,1,0|1,0,2]=4 114 B10R1.18 CC(=S)NC1=CC=CC=C1 8077AF [0,0,0,0,1,0|1,1,1]=4 115 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,1,0|1,0,2]=4 116 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [0,0,0,0,1,0|2,0,0]=3 117 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [0,0,0,0,1,0|2,0,0]=3 118 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [0,0,0,0,1,0|3,0,0]=4 119 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,0,0,0,1,0|2,0,0]=3 120 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [0,0,0,0,1,0|3,0,0]=4 121 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [0,0,0,0,1,0|1,0,0]=2 122 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,0,0,1,0|0,0,0]=1 123 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [0,0,0,0,1,0|0,0,0]=1 124 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,1,0|2,0,1]=4 125 B10R1.18 NC(=S)CC1=CC=CC=C1 7353AE [0,0,0,0,1,0|1,1,1]=4 126 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [0,0,0,0,1,0|2,0,0]=3 128 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,1,0|2,0,1]=4 129 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [0,0,0,0,0,1|1,0,0]=2 130 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [0,0,0,0,0,1|1,0,0]=2 131 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [0,0,0,0,0,1|0,0,0]=1 132 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [0,0,0,0,0,1|2,0,1]=4 133 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,1|2,0,1]=4 134 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,1|2,0,1]=4 135 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.8 BrCCC1=CC=CC=N1 5125AB [2,0,0,0,0,0|2,0,0]=4 137 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [2,0,0,0,0,0|1,0,0]=3 138 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [2,0,0,0,0,0|1,0,0]=3 139 B9R1.8 CNCC1=CC=CC=C1 3855AD [2,0,0,0,0,0|1,0,0]=3 140 B9R1.8 CNCC1=CC=CC=N1 7146AD [2,0,0,0,0,0|2,0,0]=4 141 B9R1.8 CNNC1=CC=CC=C1 V2456 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [2,0,0,0,0,0|0,0,2]=4 143 B9R1.8 ClCCC1=NC=CC=C1 X6257 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.8 NCCC1=CC=CN=C1 5033AC [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 OCCC1=CN=CN=C1 W8980 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.8 OCCC1=NC=CN=C1 Z5014 [2,0,0,0,0,0|2,0,0]=4 147 B11R1.1 BrCCCC1=CC=C(Br)C=C1 Y4633 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.1 C=CCCC1=CC=C(C)C=C1 6965AD [1,1,0,0,0,0|0,0,2]=4 149 B11R1.1 CC1=CC=C(NCCO)C=C1 9296AD [1,1,0,0,0,0|1,0,0]=3 150 B11R1.1 CC1=CC=C(OCCBr)C=C1 V3999 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.1 CC1=CC=C(OCCCl)C=C1 7057AD [1,1,0,0,0,0|2,0,0]=4 152 B11R1.1 CCCCC1=CC=C(C)C=C1 Z2332 [1,1,0,0,0,0|0,0,0]=2 153 B11R1.1 CCCCC1=CC=C(Cl)N=C1 6440AA [1,1,0,0,0,0|1,0,0]=3 154 B11R1.1 CCCCC1=CN=C(C)C=C1 5821AH [1,1,0,0,0,0|1,0,0]=3 155 B11R1.1 CCCNC1=NC=C(Br)C=C1 Z6268 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.1 CCCOC1=NC=C(Br)C=C1 V8001 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.1 CCNCC1=CC=C(N)C=C1 7272AJ [1,1,0,0,0,0|1,0,0]=3 158 B11R1.1 CCNCC1=CC=C(O)C=C1 6053AJ [1,1,0,0,0,0|1,0,0]=3 159 B11R1.1 CCNCC1=CN=C(Cl)C=C1 S696 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [1,1,0,0,0,0|1,0,0]=3 161 B11R1.1 CNCCC1=CC=C(Br)C=C1 V7496 [1,1,0,0,0,0|1,0,0]=3 162 B11R1.1 COCCC1=CC=C(Br)C=C1 V6879 [1,1,0,0,0,0|1,0,0]=3 163 B11R1.1 COCOC1=CC=C(Br)C=C1 V4696 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.1 ClCCCC1=CC=C(Br)C=C1 Y9960 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.1 ClCCOC1=CC=C(Cl)C=C1 5523AA [1,1,0,0,0,0|2,0,0]=4 166 B11R1.1 FC1=CC=C(CCCBr)C=C1 V4639 [1,1,0,0,0,0|1,0,0]=3 167 B11R1.1 FCCOC1=CC=C(Br)C=C1 V5244 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.1 NC1=NC=C(CCCO)C=N1 0586AQ [1,1,0,0,0,0|2,0,0]=4 169 B11R1.1 NCCCC1=CC=C(Cl)C=C1 9748AA [1,1,0,0,0,0|1,0,0]=3 170 B11R1.1 NCCCC1=CC=C(F)C=C1 3289AD [1,1,0,0,0,0|1,0,0]=3 171 B11R1.1 NCCCC1=CC=C(F)C=C1 7357AC [1,1,0,0,0,0|1,0,0]=3 172 B11R1.1 NCCCC1=CC=C(N)C=C1 9266AB [1,1,0,0,0,0|1,0,0]=3 173 B11R1.1 NCCNC1=CC=C(Cl)C=C1 4194AD [1,1,0,0,0,0|2,0,0]=4 174 B11R1.1 NCCNC1=CC=C(F)C=C1 4360AJ [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 NCCOC1=CC=C(Br)C=C1 7657AE [1,1,0,0,0,0|2,0,0]=4 176 B11R1.1 NCCSC1=CC=C(Br)C=C1 8241AE [1,1,0,0,0,0|2,0,0]=4 177 B11R1.1 NCCSC1=CC=C(Cl)C=C1 1627AE [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [1,1,0,0,0,0|0,0,2]=4 179 B11R1.1 OCCCC1=CC=C(Br)N=C1 0074AC [1,1,0,0,0,0|1,0,0]=3 180 B11R1.1 OCCCC1=CC=C(F)C=C1 V7380 [1,1,0,0,0,0|0,0,0]=2 181 B11R1.1 OCCNC1=NC=C(Br)C=C1 2906AF [1,1,0,0,0,0|2,0,0]=4 182 B11R1.1 OCCOC1=NC=C(Br)C=C1 Z0377 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.16 C#CCC(N)C1=CC=CC=C1 2882AA [1,1,0,0,0,0|0,0,2]=4 184 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [1,1,0,0,0,0|0,0,2]=4 185 B11R1.16 CC(CCN)C1=CC=CC=C1 2059AE [1,1,0,0,0,0|1,0,0]=3 186 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [1,1,0,0,0,0|1,0,0]=3 187 B11R1.16 CCCC(N)C1=CN=CC=C1 4944AJ [1,1,0,0,0,0|1,0,0]=3 188 B11R1.16 CCCC(N)C1=NC=CC=C1 5079AC [1,1,0,0,0,0|1,0,0]=3 189 B11R1.16 CCNC(C)C1=CC=CC=C1 7343AC [1,1,0,0,0,0|1,0,0]=3 190 B11R1.16 CN(CCN)C1=CC=CC=C1 5337AD [1,1,0,0,0,0|2,0,0]=4 191 B11R1.16 CNCC(C)C1=CC=CC=C1 3764AF [1,1,0,0,0,0|1,0,0]=3 192 B11R1.16 CNCC(C)C1=CC=CC=C1 6409AE [1,1,0,0,0,0|1,0,0]=3 193 B11R1.16 ClCCC(Br)C1=CC=CC=C1 V4390 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.17 C=CCCC1=C(Br)C=CC=C1 8652AE [1,1,0,0,0,0|0,0,2]=4 195 B11R1.17 CC1=C(NCCO)C=CC=C1 4010AD [1,1,0,0,0,0|1,0,0]=3 196 B11R1.17 CC1=C(OCCCl)C=CC=C1 7182AD [1,1,0,0,0,0|2,0,0]=4 197 B11R1.17 CC1=CC=CC=C1OCCBr 9799AA [1,1,0,0,0,0|2,0,0]=4 198 B11R1.17 CC1=CC=CC=C1OCCN 8788AD [1,1,0,0,0,0|2,0,0]=4 199 B11R1.17 CCCNC1=C(Cl)C=CC=C1 5500AE [1,1,0,0,0,0|1,0,0]=3 200 B11R1.17 CCCNC1=NC=CC=C1N 3687AE [1,1,0,0,0,0|2,0,0]=4 201 B11R1.17 CCCOC1=NC=CC=C1N 8654AB [1,1,0,0,0,0|2,0,0]=4 202 B11R1.17 CCNCC1=C(O)C=CC=C1 5372AJ [1,1,0,0,0,0|1,0,0]=3 203 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 CCSCC1=CC=CC=C1Br V9925 [1,1,0,0,0,0|1,0,0]=3 205 B11R1.17 CNCCC1=C(F)C=CC=C1 4862AJ [1,1,0,0,0,0|1,0,0]=3 206 B11R1.17 ClC1=CC=CC=C1CCCBr V6557 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.17 FC1=C(OCCBr)C=CC=C1 6522AD [1,1,0,0,0,0|2,0,0]=4 208 B11R1.17 FC1=CC=CC=C1CCCBr Z9473 [1,1,0,0,0,0|1,0,0]=3 209 B11R1.17 N#CCCC1=C(N)C=CC=C1 8000AB [1,1,0,0,0,0|1,0,1]=4 210 B11R1.17 NC1=CC=CC=C1NCCO V8097 [1,1,0,0,0,0|1,0,0]=3 211 B11R1.17 NC1=CC=CC=C1OCCBr V2926 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.17 NC1=CC=CN=C1NCCO 0651AD [1,1,0,0,0,0|2,0,0]=4 213 B11R1.17 NCCOC1=C(Cl)C=CC=C1 8744AD [1,1,0,0,0,0|2,0,0]=4 214 B11R1.17 OCCCC1=C(O)C=CN=C1 0921AD [1,1,0,0,0,0|1,0,0]=3 215 B11R1.17 OCCOC1=CC=CC=C1Br Z2369 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.17 OCCOC1=CC=CC=C1O 6575AB [1,1,0,0,0,0|1,0,0]=3 217 B11R1.24 BrCCOC1=CC(Br)=CC=C1 6325AD [1,1,0,0,0,0|2,0,0]=4 218 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 2995AF [1,1,0,0,0,0|0,0,2]=4 219 B11R1.24 CC1=CC(CCCO)=CC=C1 3205AH [1,1,0,0,0,0|0,0,0]=2 220 B11R1.24 CC1=CC(OCCBr)=CC=C1 7438AE [1,1,0,0,0,0|2,0,0]=4 221 B11R1.24 CC1=CC=CC(OCCO)=C1 5007AL [1,1,0,0,0,0|1,0,0]=3 222 B11R1.24 CCCNC1=CC(C)=CC=C1 4247AD [1,1,0,0,0,0|1,0,0]=3 223 B11R1.24 CCCNC1=CC(Cl)=CC=C1 9833AD [1,1,0,0,0,0|1,0,0]=3 224 B11R1.24 CCCNC1=NC=CC(Br)=C1 Z9400 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.24 CNCCC1=CC(C)=CC=C1 V2677 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.24 CNCCC1=CC=CC(Cl)=C1 V6388 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.24 CNCCC1=CC=CC(F)=C1 V6333 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.24 ClC1=CC(CCCBr)=CC=C1 V8963 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.24 ClC1=CC(OCCBr)=CC=C1 7390AE [1,1,0,0,0,0|2,0,0]=4 230 B11R1.24 NCCOC1=CC(Cl)=CC=C1 7394AE [1,1,0,0,0,0|2,0,0]=4 231 B11R1.24 NCCOC1=CC=CC(F)=C1 Z8223 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.24 O=CCCC1=CC=CC(Cl)=C1 3971AD [1,1,0,0,0,0|0,0,2]=4 233 B11R1.24 O=CCCC1=CC=CC(F)=C1 1852AB [1,1,0,0,0,0|0,0,2]=4 234 B11R1.24 OCC#CC1=CC=CC(Cl)=C1 Y4129 [1,1,0,0,0,0|0,0,2]=4 235 B11R1.24 OCCCC1=CC(O)=CC=C1 W3104 [1,1,0,0,0,0|0,0,0]=2 236 B11R1.24 OCCCC1=CC=CC(Cl)=C1 V4535 [1,1,0,0,0,0|0,0,0]=2 237 B11R1.28 CNCCCC1=CC=CC=C1 1600AB [1,1,0,0,0,0|0,0,0]=2 238 B11R1.28 CNCCCC1=CC=CC=C1 3594AL [1,1,0,0,0,0|0,0,0]=2 239 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [1,1,0,0,0,0|1,0,0]=3 240 B11R1.28 ClCCCOC1=CC=CC=C1 0684AE [1,1,0,0,0,0|1,0,0]=3 241 B11R1.28 ClCCNCC1=CC=CC=C1 3046AE [1,1,0,0,0,0|1,0,0]=3 242 B11R1.28 ClCCNCC1=CC=CC=C1 7007AE [1,1,0,0,0,0|1,0,0]=3 243 B11R1.28 ClCCOCC1=CC=CC=C1 8862AA [1,1,0,0,0,0|1,0,0]=3 244 B11R1.28 N#CCNCC1=CC=CC=C1 3124AB [1,1,0,0,0,0|1,0,1]=4 245 B11R1.28 NOCOCC1=CC=CC=C1 2357AF [1,1,0,0,0,0|1,0,0]=3 246 B11R1.28 OCCCCC1=CC=CN=C1 5963AJ [1,1,0,0,0,0|1,0,0]=3 247 B11R1.28 OCCCCC1=CC=NC=C1 5977AJ [1,1,0,0,0,0|1,0,0]=3 248 B11R1.28 OCCCCC1=NC=CC=C1 6014AJ [1,1,0,0,0,0|1,0,0]=3 249 B11R1.28 OCCNCC1=CC=CC=N1 0192AC [1,1,0,0,0,0|1,0,0]=3 250 B11R1.28 OCCNCC1=CC=CN=C1 8414AE [1,1,0,0,0,0|1,0,0]=3 251 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [1,1,0,0,0,0|0,0,2]=4 252 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,1,0,0,0,0|1,0,0]=3 253 B11R1.40 CC(CN)OC1=CC=CC=C1 Y9709 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [1,1,0,0,0,0|1,0,1]=4 255 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [1,1,0,0,0,0|0,0,2]=4 256 B11R1.20 CC(C)NC1=CC=C(Cl)C=C1 V3609 [0,1,0,0,1,0|2,0,0]=4 257 B11R1.20 CC(C)OC1=CC=C(F)C=C1 Z0614 [0,1,0,0,1,0|2,0,0]=4 258 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,1,0|1,0,0]=3 259 B11R1.36 CC(C)C(N)C1=CC=CC=N1 9319AH [0,1,0,0,1,0|2,0,0]=4 260 B11R1.36 CC(C)C(N)C1=CC=NC=C1 1775AJ [0,1,0,0,1,0|2,0,0]=4 261 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,1,0|1,0,0]=3 262 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,1,0|1,0,1]=4 263 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,1,0|0,0,2]=4 264 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,1,0,0,1,0|0,0,2]=4 265 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,1,0,0,1,0|1,0,0]=3 266 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,1,0,0,1,0|1,0,0]=3 267 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,1,0,0,1,0|2,0,0]=4 268 B11R1.86 CN(C)CC1=C(N)C=CC=C1 9911AA [0,1,0,0,1,0|2,0,0]=4 269 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,1,0,0,1,0|2,0,0]=4 270 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 Z4417 [0,1,0,0,1,0|0,0,2]=4 271 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 6862AA [0,1,0,0,1,0|0,0,2]=4 272 B11R1.157 CC1=CC=CC(CC(C)N)=N1 1063AC [0,1,0,0,1,0|2,0,0]=4 273 B11R1.157 CC1=CC=CC(CC(C)O)=N1 7595AE [0,1,0,0,1,0|1,0,0]=3 274 B11R1.157 O=C(O)CC1=CC(S)=CC=C1 9631AB [0,1,0,0,1,0|1,0,1]=4 275 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5351AA [0,1,0,0,1,0|2,0,0]=4 276 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7156AL [0,1,0,0,1,0|2,0,0]=4 277 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 7150AL [0,1,0,0,1,0|1,1,0]=4 278 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,1,0|2,0,0]=4 279 B13R1.45 CC(O)CNC(=O)C1=CC=CC=C1 7164AJ [0,1,0,0,0,1|0,0,1]=3 280 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8635AH [0,1,0,0,0,1|2,0,0]=4 281 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 6102AC [0,1,0,0,0,1|2,0,0]=4 282 B13R1.45 CN(C)CC[C@@H](O)C1=CC=CC=C1 3422AD [0,1,0,0,0,1|2,0,0]=4 283 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2633AJ [0,1,0,0,0,1|1,0,1]=4 284 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 2634AJ [0,1,0,0,0,1|1,0,1]=4 285 B13R1.149 CC(C)CCOC1=CC(N)=CC=C1 9070AC [0,1,0,0,0,1|1,0,0]=3 286 B13R1.149 CC(C)CNCC1=CC=CC(F)=C1 Z6430 [0,1,0,0,0,1|1,0,0]=3 287 B13R1.149 CC(O)CCNC1=NC=NC(Cl)=C1 1768AD [0,1,0,0,0,1|2,0,0]=4 288 B13R1.149 CC1=CC=CC(OCCC(=O)O)=C1 8411AD [0,1,0,0,0,1|1,0,1]=4 289 B13R1.149 NC1=CC(CCCC(=O)O)=CC=C1 5501AC [0,1,0,0,0,1|1,0,1]=4 290 B13R1.149 O=C(O)CCCC1=CC(Br)=CC=C1 4924AC [0,1,0,0,0,1|1,0,1]=4 291 B13R1.149 O=C(O)CSCC1=CC=CC(Cl)=C1 1055AE [0,1,0,0,0,1|1,0,1]=4 292 B13R1.158 CC(O)CCNC1=NC=CC=C1N 2225AD [0,1,0,0,0,1|1,0,0]=3 293 B13R1.158 O=C(O)CCCC1=C(F)C=CC=C1 2505AL [0,1,0,0,0,1|1,0,1]=4 294 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 9371AD [0,1,0,0,0,1|1,0,1]=4 295 B13R1.348 CC(C)CC(=O)NC1=CC=CC=C1 5877AF [0,1,0,0,0,1|1,0,1]=4 296 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 4595AF [0,1,0,0,0,1|0,0,2]=4 297 B13R1.351 CC(Br)C(=O)NCC1=CC=CC=C1 7679AE [0,1,0,0,0,1|1,0,1]=4 298 B13R1.351 CC(C)C(C)NCC1=CC=CC=C1 8760AC [0,1,0,0,0,1|1,0,0]=3 299 B13R1.351 CC(CCC1=CC=CC=C1)C(=O)O 1797AJ [0,1,0,0,0,1|1,0,1]=4 300 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O Y8576 [0,1,0,0,0,1|1,0,1]=4 301 B13R1.513 CC(C)CCOC1=CC=C(N)C=C1 4820AE [0,1,0,0,0,1|1,0,0]=3 302 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 4035AD [0,1,0,0,0,1|1,0,1]=4 303 B13R1.513 CN(C)CCOC1=CC=C(Cl)C=C1 1714AB [0,1,0,0,0,1|2,0,0]=4 304 B13R1.513 CN(C)CCOC1=CC=C(N)C=C1 6879AE [0,1,0,0,0,1|2,0,0]=4 305 B13R1.513 O=C(O)CCSC1=CC=C(Cl)C=C1 7053AE [0,1,0,0,0,1|1,0,1]=4 306 B13R1.513 O=C(O)COCC1=CC=C(Br)C=C1 V7880 [0,1,0,0,0,1|1,0,1]=4 307 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 2788AF [0,1,0,0,0,1|1,0,1]=4 308 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 7427AE [0,1,0,0,0,1|1,0,1]=4 309 B13R1.718 CC(CBr)COCC1=CC=CC=C1 5257AC [0,1,0,0,0,1|1,0,0]=3 310 B13R1.718 CC(CO)CNCC1=CC=CC=C1 0887AF [0,1,0,0,0,1|0,0,0]=2 311 B13R1.718 N[C@H](CO)CSCC1=CC=CC=C1 3354AC [0,1,0,0,0,1|1,0,0]=3 312 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 5861AA [0,1,0,0,0,1|0,0,2]=4 313 B13R1.718 OC(CBr)COCC1=CC=CC=C1 4774AL [0,1,0,0,0,1|0,0,0]=2 314 B13R1.718 OCC(O)COCC1=CC=CC=C1 Z5688 [0,1,0,0,0,1|0,0,0]=2 315 B13R1.3523 C[Si](C)(Cl)CCCC1=CC=CC=C1 7366AL [0,1,0,0,0,1|1,1,0]=4 316 B13R1.3523 FC(F)(F)CNCC1=CC=CC=C1 0903AF [0,1,0,0,0,1|2,0,0]=4 317 B13R1.3 COC1=CC=C(CCC(C)N)C=C1 4563AE [0,2,0,0,0,0|1,0,0]=3 318 B13R1.3 COC1=CC=C(OCC(C)N)C=C1 7597AE [0,2,0,0,0,0|2,0,0]=4 319 B13R1.3 COC1=CC=C(OCC(C)O)C=C1 4291AL [0,2,0,0,0,0|1,0,0]=3 320 B13R1.14 CCC(C)NCC1=CC=C(C)C=C1 8083AC [0,2,0,0,0,0|2,0,0]=4 321 B13R1.14 CCC(C)NCC1=CC=C(Cl)C=C1 4015AE [0,2,0,0,0,0|2,0,0]=4 322 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 8453AE [0,2,0,0,0,0|0,0,2]=4 323 B13R1.14 COC(=O)CCC1=CC=C(F)C=C1 V4964 [0,2,0,0,0,0|0,0,2]=4 324 B13R1.14 NCC(O)COC1=CC=C(Cl)C=C1 4852AE [0,2,0,0,0,0|1,0,0]=3 325 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 7665AA [0,2,0,0,0,0|1,0,1]=4 326 B13R1.132 N[C@H](CC(=O)O)C1=CC=C(Cl)C=C1 X9801 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O Y5507 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.133 NC1=CC=C(C[C@H](N)C(=O)O)C=C1 5562AH [0,2,0,0,0,0|1,0,1]=4 329 B13R1.133 O=C(O)C(F)CC1=CC=C(O)C=C1 7683AB [0,2,0,0,0,0|1,0,1]=4 330 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(O)C=C1 1582AB [0,2,0,0,0,0|1,0,1]=4 331 B13R1.164 CC1=C(CCC(=O)O)C=CC(F)=C1 X3493 [0,2,0,0,0,0|1,0,1]=4 332 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 9037AA [0,2,0,0,0,0|1,0,1]=4 333 B13R1.511 CC(=O)CCC1=CC=C(O)C(O)=C1 W1951 [0,2,0,0,0,0|0,0,2]=4 334 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N 1957AJ [0,2,0,0,0,0|1,0,1]=4 335 B13R1.511 NC1=C(O)C=CC(CCC(=O)O)=C1 5105AC [0,2,0,0,0,0|1,0,1]=4 336 B13R1.512 CC(C)(C)NCC1=CC=C(Br)C=C1 Z8266 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.512 CC(C)(C)OCC1=CC=C(Br)C=C1 V4524 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.512 CC(C)(O)C#CC1=CC=C(F)C=C1 2534AL [0,2,0,0,0,0|0,0,2]=4 339 B13R1.512 O=S(=O)(O)CCC1=CC=C(F)C=C1 9512AE [0,2,0,0,0,0|2,0,0]=4 340 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 1881AB [0,2,0,0,0,0|1,0,1]=4 341 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 3493AL [0,2,0,0,0,0|0,0,2]=4 342 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 B603 [0,2,0,0,0,0|0,0,2]=4 343 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 0845AD [0,2,0,0,0,0|0,0,2]=4 344 B13R1.42 C=COC(=O)CCC1=CC=CC=C1 7884AB [0,2,0,0,0,0|1,0,1]=4 345 B13R1.42 CCCC(C)NCC1=CC=CC=C1 6762AE [0,2,0,0,0,0|2,0,0]=4 346 B13R1.42 CNCC(O)COC1=CC=CC=C1 2455AE [0,2,0,0,0,0|1,0,0]=3 347 B13R1.135 CNC(=O)C(N)CC1=CC=CC=C1 2851AD [0,2,0,0,0,0|0,0,2]=4 348 B13R1.135 CNC(=O)[C@H](N)CC1=CC=CC=C1 7143AA [0,2,0,0,0,0|0,0,2]=4 349 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 6952AJ [0,2,0,0,0,0|0,0,2]=4 350 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 2136AB [0,2,0,0,0,0|0,0,2]=4 351 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl V6404 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.254 CC(C)(CO)OCC1=CC=CC=C1 3234AF [0,2,0,0,0,0|1,0,0]=3 353 B13R1.417 COC(COC1=CC=CC=C1)OC 4449AJ [0,2,0,0,0,0|1,0,0]=3 354 B13R1.417 NC[C@H](CO)NCC1=CC=CC=C1 8992AH [0,2,0,0,0,0|1,0,0]=3 355 B13R1.417 O=C[C@H](CO)OCC1=CC=CC=C1 5493AA [0,2,0,0,0,0|1,0,1]=4 356 B13R1.528 CCC(C)NCC1=CC=CC=C1Cl 8111AC [0,2,0,0,0,0|2,0,0]=4 357 B13R1.528 CCC(C)SCC1=CC=CC=C1Br Z9524 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.528 CNC(=O)CCC1=CC=CC=C1N 7472AC [0,2,0,0,0,0|0,0,2]=4 359 B13R1.528 COC(=O)CCC1=CC=CC=C1F V3256 [0,2,0,0,0,0|0,0,2]=4 360 B13R1.148 CC1=CC(C[C@H](N)C(=O)O)=CC=C1 Z3666 [0,2,0,0,0,0|1,0,1]=4 361 B13R1.148 NC1=CC=CC(CC(N)C(=O)O)=C1 2723AB [0,2,0,0,0,0|1,0,1]=4 362 B13R1.148 N[C@@H](CC1=CC=CC(Cl)=C1)C(=O)O Z3664 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.148 N[C@H](CC1=CC=CC(I)=C1)C(=O)O 4562AA [0,2,0,0,0,0|1,0,1]=4 364 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 9490AE [0,2,0,0,0,0|1,0,1]=4 365 B13R1.202 NC(CC1=C(O)C=CC=C1)C(=O)O 1632AB [0,2,0,0,0,0|1,0,1]=4 366 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O W3070 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.202 NC(CC1=CC=CC=C1I)C(=O)O 0209AB [0,2,0,0,0,0|1,0,1]=4 368 B13R1.202 NC1=CC=CC=C1CC(N)C(=O)O 9213AA [0,2,0,0,0,0|1,0,1]=4 369 B13R1.353 OC(CC1=CC=CC=C1)C(F)(F)F Y8741 [0,2,0,0,0,0|2,0,0]=4 370 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 5357AA [0,2,0,0,0,0|1,0,1]=4 371 B13R1.418 NC[C@@H](CC1=CC=CC=C1)C(=O)O 9592AA [0,2,0,0,0,0|1,0,1]=4 372 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 5874AA [0,2,0,0,0,0|1,0,1]=4 373 B13R1.147 NC(CC(=O)O)C1=CC(O)=CC=C1 0683AA [0,2,0,0,0,0|1,0,1]=4 374 B13R1.147 N[C@H](CC(=O)O)C1=CC(F)=CC=C1 1221AC [0,2,0,0,0,0|1,0,1]=4 375 B13R1.147 N[C@H](CC(=O)O)C1=CC(O)=CC=C1 2233AC [0,2,0,0,0,0|1,0,1]=4 376 B13R1.201 CC1=C(C(N)CC(=O)O)C=CC=C1 8055AE [0,2,0,0,0,0|1,0,1]=4 377 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 2300AC [0,2,0,0,0,0|1,0,1]=4 378 B13R1.201 N[C@@H](CC(=O)O)C1=CC=CC=C1F Z5661 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.347 CC(O)CC(C)(C)C1=CC=CC=C1 0439AB [0,2,0,0,0,0|0,0,0]=2 380 B13R1.352 NC(CC(F)(F)F)C1=CC=CC=C1 2058AJ [0,2,0,0,0,0|2,0,0]=4 381 B13R1.713 CNC(CN(C)C)C1=CC=CC=C1 4473AH [0,2,0,0,0,0|2,0,0]=4 382 B13R1.90 C=C(C)CCC1=CC=CC=C1C#N 8898AE [0,2,0,0,0,0|1,0,1]=4 383 B13R1.90 CC(C)CNC1=CC=CC=C1C#N V4215 [0,2,0,0,0,0|2,0,0]=4 384 B13R1.90 CC(C)COC1=CC=CC=C1C=O 0137AF [0,2,0,0,0,0|2,0,0]=4 385 B13R1.90 COC1=C(OCC(C)O)C=CC=C1 4279AL [0,2,0,0,0,0|1,0,0]=3 386 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O W5090 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.150 CC(C)NCC1=C(F)C(Br)=CC=C1 V2492 [0,2,0,0,0,0|2,0,0]=4 388 B13R1.893 CC(C)NCC1=CC(Br)=CC=C1F Z6376 [0,2,0,0,0,0|2,0,0]=4 389 B13R1.3787 CC(C)NCC1=C(F)C=CC=C1Br V2481 [0,2,0,0,0,0|2,0,0]=4 390 B13R1.3787 CC1=C(OCC(C)C)C(N)=CC=C1 V2750 [0,2,0,0,0,0|2,0,0]=4 391 B13R1.3787 CC1=CC=CC(C)=C1CCC(=O)O 6498AD [0,2,0,0,0,0|1,0,1]=4 392 B13R1.643 CC(C)COC1=CC(C=O)=CC=C1 7959AE [0,2,0,0,0,0|2,0,0]=4 393 B13R1.838 CC(C)(N)CNC1=CC(Cl)=CC=C1 0774AF [0,2,0,0,0,0|2,0,0]=4 394 B13R1.3420 O=C(O)CCC1=CC(Br)=CC(Br)=C1 1082AQ [0,2,0,0,0,0|1,0,1]=4 395 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [1,0,0,1,0,0|2,0,0]=4 396 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [1,0,0,1,0,0|2,0,0]=4 397 B11R2.1 NC1COC2=CC=CC=C21 4904AH [1,0,0,1,0,0|2,0,0]=4 398 B11R2.1 N[C@H]1COC2=C1C=CC=C2 1110AL [1,0,0,1,0,0|2,0,0]=4 399 B11R2.1 OC1COC2=C1C=CC=N2 7095AA [1,0,0,1,0,0|2,0,0]=4 400 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [1,0,0,1,0,0|1,0,0]=3 401 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [1,0,0,1,0,0|1,0,0]=3 402 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8297AH [1,0,0,1,0,0|1,0,0]=3 403 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [1,0,0,1,0,0|1,0,0]=3 404 B11R2.20 C1=CC2=C(C=C1)CNNC2 5003AJ [1,0,0,1,0,0|2,0,0]=4 405 B11R2.20 C1=CC2=C(C=C1)OCCN2 6903AC [1,0,0,1,0,0|1,0,0]=3 406 B11R2.20 C1=CC2=C(C=N1)CCNC2 W5369 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.20 C1=CC2=C(C=N1)OCCN2 6547AD [1,0,0,1,0,0|2,0,0]=4 408 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.20 C1=CC2=C(CNCC2)N=C1 6451AA [1,0,0,1,0,0|2,0,0]=4 410 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.20 C1=CC=C2CCN=CC2=C1 3596AB [1,0,0,1,0,0|1,0,1]=4 412 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [1,0,0,1,0,0|1,0,0]=3 413 B11R2.20 C1=NC=C2CCNCC2=C1 9567AH [1,0,0,1,0,0|2,0,0]=4 414 B11R2.988 OCC1=CC2=CC=CC=C21 K959 [1,0,0,1,0,0|0,0,2]=4 415 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [0,0,0,1,1,0|0,0,2]=4 416 B13R2.10 NC1CCN(C2=CC=NC=C2)C1 2961AA [0,0,0,1,0,1|2,0,0]=4 417 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 5600AA [0,0,0,1,0,1|1,0,0]=3 418 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 W4602 [0,0,0,1,0,1|1,0,0]=3 419 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 2369AL [0,0,0,1,0,1|0,0,2]=4 420 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 6031AC [0,0,0,1,0,1|1,0,1]=4 421 B13R2.2382 C1=CC=C(CNCC2CC2)C=C1 9729AC [0,0,0,1,0,1|1,0,0]=3 422 B13R2.3122 CC1(C)CCNC2=CC=CC=C21 2555AJ [0,0,0,1,0,1|1,0,0]=3 423 B13R2.3122 CC1(C)CNCC2=CC=CC=C21 2308AC [0,0,0,1,0,1|1,0,0]=3 424 B13R2.3122 CC1(C)NCCC2=CC=CC=C21 5722AB [0,0,0,1,0,1|1,0,0]=3 425 B13R2.147 OC1CC(C2=CC=C(Br)C=C2)C1 5654AJ [0,1,0,1,0,0|0,0,0]=2 426 B13R2.155 CC1=CC=C2NCC(C)OC2=C1 V6798 [0,1,0,1,0,0|1,0,0]=3 427 B13R2.155 CC1CNC2=CC=C(Cl)C=C2O1 Z7825 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.155 CN1CCC2=CC=C(Br)C=C2C1 2154AB [0,1,0,1,0,0|2,0,0]=4 429 B13R2.155 NC1CCC2=C(C=C(Cl)C=C2)C1 9774AB [0,1,0,1,0,0|1,0,0]=3 430 B13R2.155 NC1CCC2=CC=C(Br)C=C2C1 3658AJ [0,1,0,1,0,0|1,0,0]=3 431 B13R2.527 BrC1=CC=C(NCC2CC2)C=C1 4454AB [0,1,0,1,0,0|2,0,0]=4 432 B13R2.527 BrC1=CC=C(OCC2CC2)C=C1 V5844 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.527 ClC1=CC=C(NCC2CC2)C=C1 8296AE [0,1,0,1,0,0|2,0,0]=4 434 B13R2.527 FC1=CC=C(CNC2CC2)C=C1 V6959 [0,1,0,1,0,0|2,0,0]=4 435 B13R2.527 FC1=CC=C(OCC2CO2)C=C1 6081AD [0,1,0,1,0,0|1,0,0]=3 436 B13R2.527 NC1=CC=C(OCC2CC2)C=C1 Z7735 [0,1,0,1,0,0|2,0,0]=4 437 B13R2.527 NC1=CC=C(OCC2CO2)C=C1 5869AD [0,1,0,1,0,0|1,0,0]=3 438 B13R2.32 NC1C2=C(C=CC=C2)CCC1O 0730AA [0,1,0,1,0,0|0,0,0]=2 439 B13R2.32 NC1CCC2=CC=CC=C2C1O 0733AA [0,1,0,1,0,0|1,0,0]=3 440 B13R2.57 CCC1CNC2=CC=CC=C2O1 Z7213 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.57 CNC1CCC2=CC=CC=C2C1 1367AB [0,1,0,1,0,0|1,0,0]=3 442 B13R2.57 ClCC1COC2=CC=CC=C2O1 Y8272 [0,1,0,1,0,0|1,0,0]=3 443 B13R2.57 N#CC1CNC2=CC=CC=C2O1 W8860 [0,1,0,1,0,0|1,0,1]=4 444 B13R2.57 N#CC1COC2=C(C=CC=C2)C1 4726AC [0,1,0,1,0,0|2,0,0]=4 445 B13R2.57 N#CC1COC2=C(C=CC=C2)O1 0287AA [0,1,0,1,0,0|1,0,1]=4 446 B13R2.57 NCC1CCC2=CC=CC=C2C1 4602AH [0,1,0,1,0,0|1,0,0]=3 447 B13R2.57 NCC1CNC2=CC=CC=C2O1 Y6848 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.57 NCC1COC2=C(C=CC=C2)C1 Y6809 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.57 NCC1COC2=C(C=CC=C2)C1 Z7481 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.57 NCC1COC2=CC=CC=C2N1 2014AJ [0,1,0,1,0,0|2,0,0]=4 451 B13R2.57 OCC1CC2=CC=CC=C2CN1 9556AB [0,1,0,1,0,0|1,0,0]=3 452 B13R2.57 OCC1CCC2=C(C=CC=C2)N1 X7072 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.57 OCC1CNC2=CC=CC=C2O1 Y4160 [0,1,0,1,0,0|1,0,0]=3 454 B13R2.222 CC1(C)CC2=CC=CC=C2CN1 7696AA [0,1,0,1,0,0|2,0,0]=4 455 B13R2.222 CC1(C)NC2=CC=CC=C2CO1 7357AB [0,1,0,1,0,0|2,0,0]=4 456 B13R2.3587 FC1=CC=CC=C1CNC2CC2 V6958 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.5179 O=C1CCC2=C(C=CC=C2O)C1 W5721 [0,1,0,1,0,0|0,0,2]=4 458 B13R2.162 O=C1CCC2=C(C1)C(Cl)=CC=C2 3402AH [0,1,0,1,0,0|0,0,2]=4 459 B13R2.3108 FC1=CC2=C(C=C1)C(F)(F)CC2 5919AE [0,1,0,1,0,0|2,0,0]=4 460 B13R2.3683 CC1CNC2=CC(F)=CC=C2O1 Z9339 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 W3071 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.3683 CN1CCC2=CC(Br)=CC=C2C1 3449AJ [0,1,0,1,0,0|2,0,0]=4 463 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 8535AA [0,1,0,1,0,0|1,0,0]=3 464 B13R2.3683 NC1CCC2=CC(Br)=CC=C2C1 5947AH [0,1,0,1,0,0|1,0,0]=3 465 B13R2.3683 NC1CCC2=CC(Cl)=CC=C2C1 3493AJ [0,1,0,1,0,0|1,0,0]=3 466 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 3371AH [0,1,0,1,0,0|0,0,2]=4 467 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2O1 0692AB [0,1,0,1,0,0|1,0,1]=4 468 B13R2.3683 OC1CCC2=C(C=CC(F)=C2)C1 3532AJ [0,1,0,1,0,0|0,0,0]=2 469 B13R2.5331 BrC1=CC=CC(OCC2CC2)=C1 Z9345 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.5331 FC1=CC(CNC2CC2)=CC=C1 V9156 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.12 BrCCCN1C=CC=C1 0267AA [1,0,0,0,1,0|2,0,0]=4 472 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,1,0|1,0,0]=3 473 B9R1.12 CCNCC1=CC=CO1 7158AA [1,0,0,0,1,0|2,0,0]=4 474 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,1,0|2,0,0]=4 475 B9R1.12 NCCCC1=CC=CS1 6482AE [1,0,0,0,1,0|2,0,0]=4 476 B9R1.12 OCCCC1=CNN=C1 6612AE [1,0,0,0,1,0|2,0,0]=4 477 B9R1.12 OCCCC1=CON=C1 2312AJ [1,0,0,0,1,0|2,0,0]=4 478 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,2,0|1,0,0]=3 479 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,0,0,0,2,0|2,0,0]=4 480 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [0,0,0,0,2,0|2,0,0]=4 481 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [0,0,0,0,2,0|2,0,0]=4 482 B9R1.6 C[C@H](N)C1=CC=NC=C1 4830AJ [0,0,0,0,2,0|2,0,0]=4 483 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,2,0|2,0,0]=4 484 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,2,0|1,0,0]=3 485 B13R1.337 CC(C)NCCOC1=CC=CC=C1 8051AB [0,0,0,0,0,2|1,0,0]=3 486 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5293AE [0,0,0,0,0,2|1,0,1]=4