0 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,0,0,0,0,0|3,0,0]=3 2 B10R1.18 CC(=S)NC1=CC=CC=C1 8077AF [0,0,0,0,0,0|2,1,0]=3 3 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [0,0,0,0,0,0|3,0,1]=4 5 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [0,0,0,0,0,0|3,0,1]=4 6 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [0,0,0,0,0,0|1,0,1]=2 9 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [0,0,0,0,0,0|1,0,1]=2 10 B10R1.18 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,0,0|2,0,0]=2 11 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,0,0,0,0,0|3,0,0]=3 12 B10R1.18 NC(=S)CC1=CC=CC=C1 7353AE [0,0,0,0,0,0|1,1,0]=2 13 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.18 O=C(O)CC1=NC=CC=N1 W7752 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,0,0,0,0,0|2,1,0]=3 17 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,1]=4 19 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNNC1=CC=CC=C1 V2456 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 C\C=C\C1=CC=CC=C1 7209AE [1,0,0,0,0,0|1,0,1]=3 24 B9R1.8 ClCCC1=NC=CC=C1 X6257 [1,0,0,0,0,0|2,0,1]=4 25 B9R1.8 N#CCC1=CC=NC=C1 Z9553 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 N#CC[N+]1=CC=CC=C1 8359AL [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 NCCC1=CC=CN=C1 5033AC [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|3,0,0]=4 29 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 OCCC1=NC=CN=C1 Z5014 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 0023AQ [1,0,0,0,0,0|3,0,0]=4 35 B11R1.20 CC(=O)NC1=CC=C(Br)N=C1 Y8599 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.20 CC(=O)NC1=CC=C(O)C=N1 8000AA [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.20 CC(=O)OC1=CC=C(Cl)C=C1 X5399 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.20 CC1=CC=C(N=C(N)N)C=C1 7745AB [0,1,0,0,0,0|3,0,0]=4 42 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,1,0,0,0,0|3,0,0]=4 43 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 6863AE [0,1,0,0,0,0|2,0,0]=3 44 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 W8749 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.20 N=C(N)CC1=CC=C(Br)C=C1 6320AE [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,1,0,0,0,0|3,0,0]=4 47 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 1746AL [0,1,0,0,0,0|1,0,0]=2 48 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,0,0|2,0,0]=3 49 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 4488AD [0,1,0,0,0,0|1,1,0]=3 50 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,1,0,0,0,0|3,0,0]=4 51 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 6322AB [0,1,0,0,0,0|3,0,0]=4 52 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,0,0|1,0,0]=2 53 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,1,0,0,0,0|1,0,0]=2 54 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 X9387 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.20 O=C1C=CN(CC(=O)O)C=C1 3963AE [0,1,0,0,0,0|1,0,0]=2 56 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 6457AL [0,1,0,0,0,0|2,1,0]=4 57 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 E850 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,0,0|2,0,1]=4 60 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,0|1,0,0]=2 63 B11R1.36 NC(C(=O)O)C1=NC=CC=C1 Z5933 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,0,0|1,0,1]=3 65 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,0|0,0,0]=1 66 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,1,0,0,0,0|2,0,1]=4 68 B11R1.40 CCC(=O)OC1=CC=CC=C1 8795AL [0,1,0,0,0,0|2,0,0]=3 69 B11R1.40 CNC(=O)CC1=CN=CC=C1 8304AC [0,1,0,0,0,0|2,0,0]=3 70 B11R1.40 CNC(=S)NC1=CC=CC=C1 S792 [0,1,0,0,0,0|2,1,0]=4 71 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,1,0,0,0,0|1,0,0]=2 72 B11R1.40 COC(=O)CC1=NC=NC=C1 Y1676 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.40 C\C(=C/C1=CC=CC=C1)CO 5715AL [0,1,0,0,0,0|1,0,1]=3 74 B11R1.40 NCC(=O)NC1=CC=CC=C1 4165AE [0,1,0,0,0,0|2,0,0]=3 75 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,1,0,0,0,0|3,0,0]=4 77 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,0,0|1,0,0]=2 78 B11R1.86 CC(=O)CC1=CC=CC=C1O 5670AA [0,1,0,0,0,0|1,0,0]=2 79 B11R1.86 CC(=O)NC1=C(Br)N=CC=C1 8863AJ [0,1,0,0,0,0|3,0,0]=4 80 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 Z3279 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.86 CC(=O)NC1=C(O)C=NC=C1 8398AE [0,1,0,0,0,0|3,0,0]=4 82 B11R1.86 CC(=O)NC1=CC=CNC1=O 9389AE [0,1,0,0,0,0|3,0,0]=4 83 B11R1.86 CC(=O)NC1=NC=CC=C1O 9933AD [0,1,0,0,0,0|3,0,0]=4 84 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,1,0,0,0,0|2,0,1]=4 85 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,1,0,0,0,0|3,0,0]=4 86 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,1,0,0,0,0|3,0,0]=4 87 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,1,0,0,0,0|2,0,1]=4 88 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,1,0,0,0,0|3,0,0]=4 89 B11R1.86 CN(C)CC1=C(N)C=CC=C1 9911AA [0,1,0,0,0,0|3,0,0]=4 90 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,1,0,0,0,0|2,0,0]=3 92 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,1,0,0,0,0|3,0,0]=4 93 B11R1.86 NC(=S)CC1=CC=CC=C1Br Z6609 [0,1,0,0,0,0|1,1,0]=3 94 B11R1.86 NC(=S)NC1=CC=CC=C1Br V6496 [0,1,0,0,0,0|2,1,0]=4 95 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,1,0,0,0,0|1,0,0]=2 96 B11R1.86 O=C(O)CC1=C(Cl)N=CN=C1 5063AB [0,1,0,0,0,0|2,0,0]=3 97 B11R1.86 O=C(O)CN1C=CC=CC1=O 1070AL [0,1,0,0,0,0|1,0,0]=2 98 B11R1.157 CC(=O)CC1=CC=CC(Br)=C1 Z4417 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.157 CC(=O)CC1=CC=CC(Cl)=C1 6862AA [0,1,0,0,0,0|1,0,0]=2 100 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 9512AH [0,1,0,0,0,0|2,0,0]=3 101 B11R1.157 CC(=O)CC1=NC=CC(C)=C1 3153AE [0,1,0,0,0,0|2,0,0]=3 102 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 1694AC [0,1,0,0,0,0|3,0,0]=4 103 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 X7036 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.157 CC1=CC=CC(CC(C)O)=N1 7595AE [0,1,0,0,0,0|2,0,1]=4 105 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 9927AB [0,1,0,0,0,0|2,0,0]=3 106 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 9218AB [0,1,0,0,0,0|3,0,0]=4 107 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 2129AB [0,1,0,0,0,0|2,0,0]=3 108 B11R1.157 O=C(O)CC1=CC(Cl)=NC=C1 0766AQ [0,1,0,0,0,0|1,0,0]=2 109 B11R1.157 O=C(O)CC1=CC(O)=NC=N1 8845AC [0,1,0,0,0,0|2,0,0]=3 110 B11R1.157 O=C(O)CC1=CC(S)=CC=C1 9631AB [0,1,0,0,0,0|0,0,0]=1 111 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5351AA [0,1,0,0,0,0|3,0,0]=4 112 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7156AL [0,1,0,0,0,0|3,0,0]=4 113 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 7150AL [0,1,0,0,0,0|2,1,0]=4 114 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 8803AL [0,1,0,0,0,0|2,0,0]=3 115 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 4307AH [0,1,0,0,0,0|2,0,1]=4 116 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,1,0,0|2,0,1]=4 117 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8297AH [0,0,0,1,0,0|2,0,1]=4 118 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,1,0,0|2,0,1]=4 119 B11R2.10 BrB1OC2=C(C=CC=C2)O1 5512AL [0,0,0,1,0,0|3,0,0]=4 120 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [0,0,0,1,0,0|1,0,1]=3 121 B11R2.10 ClB1OC2=C(C=CC=C2)O1 5556AL [0,0,0,1,0,0|3,0,0]=4 122 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [0,0,0,1,0,0|3,0,0]=4 123 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [0,0,0,1,0,0|3,0,0]=4 124 B11R2.10 IC1=CC2=C(C=CC=C2)S1 7957AJ [0,0,0,1,0,0|1,1,1]=4 125 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [0,0,0,1,0,0|2,0,1]=4 126 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.10 O=C1C=C2C=CC=CN2N1 8937AB [0,0,0,1,0,0|2,0,1]=4 128 B11R2.10 O=C1CN2C=CC=CC2=N1 7452AB [0,0,0,1,0,0|2,0,0]=3 129 B11R2.10 O=C1NC2=C(C=NC=C2)O1 0581AC [0,0,0,1,0,0|2,0,0]=3 130 B11R2.10 O=C1OC2=C(C=CC=C2)O1 1033AB [0,0,0,1,0,0|1,0,0]=2 131 B11R2.10 OC1=CC2=CC=CN=C2N1 5064AA [0,0,0,1,0,0|2,0,1]=4 132 B11R2.10 OC1=CN2C=CC=CC2=N1 X9015 [0,0,0,1,0,0|2,0,1]=4 133 B11R2.10 S=C1CC2=C(C=CC=C2)N1 6726AB [0,0,0,1,0,0|1,1,0]=3 134 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,1,0|2,0,1]=4 135 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,0,0,0,1,0|3,0,0]=4 136 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,0,0,0,1,0|3,0,0]=4 137 B9R1.6 ClB(Cl)C1=CC=CC=C1 Z8862 [0,0,0,0,1,0|3,0,0]=4 138 B9R1.6 Cl[IH2](Cl)C1=CC=CC=C1 Y1609 [0,0,0,0,1,0|3,0,0]=4 139 B9R1.6 N=C(N)C1=CC=CC=C1 9278AB [0,0,0,0,1,0|2,0,0]=3 140 B9R1.6 NC(=O)C1=CC=NN=C1 Z3384 [0,0,0,0,1,0|3,0,0]=4 141 B9R1.6 NC(=O)C1=CN=CC=C1 1853AE [0,0,0,0,1,0|2,0,0]=3 142 B9R1.6 NC(=O)C1=NC=CC=N1 Z3390 [0,0,0,0,1,0|3,0,0]=4 143 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,1,0|0,0,2]=3 144 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,1,0|1,1,0]=3 145 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,0,0,0,1,0|2,0,1]=4 146 B9R1.6 O=C([O-])C1=NC=CC=C1 8839AL [0,0,0,0,1,0|1,0,1]=3 147 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,0,0,0,1,0|2,0,1]=4 148 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,1,0|2,0,0]=3 149 B9R1.13 CC(=O)CN1C=CN=C1 3690AD [0,0,0,0,1,0|3,0,0]=4 150 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,1,0|3,0,0]=4 151 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,1,0|2,0,1]=4 152 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,0,0,0,1,0|3,0,0]=4 153 B9R1.13 NC(=O)CC1=CSC=C1 V2784 [0,0,0,0,1,0|2,0,0]=3 154 B9R1.13 NC(=O)CN1C=CN=C1 0131AC [0,0,0,0,1,0|3,0,0]=4 155 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,1,0|1,0,0]=2 156 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,1,0|1,0,0]=2 157 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,0,0,0,1,0|2,0,0]=3 158 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,0,0,0,1,0|2,0,0]=3 159 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,1,0|2,0,0]=3 160 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,0,0,0,1,0|2,0,0]=3 161 B9R1.13 O=C(O)CC1=NNC=C1 1007AJ [0,0,0,0,1,0|2,0,0]=3 162 B9R1.13 O=C(O)CN1C=NC=N1 9074AC [0,0,0,0,1,0|3,0,0]=4 163 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,1|2,0,0]=3 164 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,0,1|2,0,0]=3 165 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,1|2,0,0]=3 166 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,0,0,0,0,1|2,0,1]=4 167 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,0,0,0,0,1|2,0,1]=4 168 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,1|2,0,0]=3 169 B11R1.91 N=C(N)COC1=CC=CC=C1 0368AC [0,0,0,0,0,1|2,0,0]=3 170 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,0,0,0,0,1|2,0,1]=4 171 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,0,0,0,0,1|2,0,1]=4 172 B11R1.91 NC(=O)C#CC1=CC=CC=C1 2477AL [0,0,0,0,0,1|1,0,1]=3 173 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,1|2,0,0]=3 174 B11R1.91 NC(=O)CNC1=CC=CC=C1 V4420 [0,0,0,0,0,1|1,0,0]=2 175 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,1|2,0,0]=3 176 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,0,1|1,0,1]=3 177 B11R1.91 O=C(O)C#CC1=CC=NC=C1 5670AJ [0,0,0,0,0,1|1,0,1]=3 178 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [0,0,0,0,0,1|1,0,0]=2 179 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,1|2,0,0]=3 180 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,0,1|1,0,0]=2 181 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,1|1,0,0]=2 182 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,0,1|0,0,2]=3 183 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [0,0,0,0,0,1|1,0,2]=4 184 B8R1.2 BrCC1=CC=NC=C1 V2331 [2,0,0,0,0,0|2,0,0]=4 185 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 186 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,1]=4 187 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 188 B8R1.2 ICC1=CN=CC=C1 5715AJ [2,0,0,0,0,0|2,0,0]=4 189 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,0]=3 190 B8R1.2 NOC1=CC=CC=C1 X4801 [2,0,0,0,0,0|2,0,0]=4 191 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 192 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 193 B8R1.2 O=[As]C1=CC=CC=C1 7620AF [2,0,0,0,0,0|1,0,0]=3 194 B8R1.2 ONC1=CC=CC=C1 0019AQ [2,0,0,0,0,0|1,0,0]=3 195 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|1,1,0]=4 196 B10R1.1 C=CCC1=CC=C(C)C=C1 1127AQ [1,1,0,0,0,0|1,0,0]=3 197 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,1,0,0,0,0|1,0,0]=3 198 B10R1.1 C=COC1=CC=C(Br)C=C1 Y3507 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.1 CC1=CC=C(CNN)C=C1 8497AC [1,1,0,0,0,0|2,0,0]=4 200 B10R1.1 CC1=NC=C(CCO)C=C1 0118AA [1,1,0,0,0,0|1,0,1]=4 201 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|1,0,1]=4 202 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|1,0,1]=4 203 B10R1.1 CNCC1=CC=C(N)C=C1 Q169 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|2,0,0]=4 205 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,1,0,0,0,0|1,0,1]=4 206 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,1,0,0,0,0|2,0,0]=4 207 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|2,0,0]=4 208 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 4986AB [1,1,0,0,0,0|1,0,1]=4 210 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [1,1,0,0,0,0|1,0,1]=4 211 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,0]=3 212 B10R1.4 C=CCC1=CC=CC=C1Br 0424AQ [1,1,0,0,0,0|1,0,0]=3 213 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|2,0,0]=4 214 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,1]=4 215 B10R1.4 NCCC1=CC=CC=C1N W6472 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.4 NNCC1=CC=CC=C1Cl 3182AF [1,1,0,0,0,0|2,0,0]=4 217 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|2,0,0]=4 218 B10R1.4 NNCC1=CC=CC=C1F W6669 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 220 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|1,0,1]=4 222 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|1,0,0]=3 223 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,1]=4 224 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,1]=4 225 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|2,0,0]=4 226 B10R1.10 NCCC1=CC(N)=CC=C1 1934AJ [1,1,0,0,0,0|1,0,1]=4 227 B10R1.10 NCCC1=CC(N)=CC=C1 4022AC [1,1,0,0,0,0|1,0,1]=4 228 B10R1.10 NCCC1=CC=CC(O)=C1 E330 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|2,0,0]=4 230 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|2,0,0]=4 231 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [1,1,0,0,0,0|0,0,2]=4 232 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|0,0,0]=2 233 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 O\N=C\C1=CC(Cl)=CC=C1 5550AC [1,1,0,0,0,0|1,0,1]=4 236 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [1,1,0,0,0,0|1,0,1]=4 237 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,1,0,0,0,0|1,0,1]=4 238 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,1,0,0,0,0|1,0,1]=4 239 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,1,0,0,0,0|1,0,1]=4 240 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,1,0,0,0,0|1,0,1]=4 241 B10R1.15 CN(N=O)C1=CC=CC=C1 8617AL [1,1,0,0,0,0|2,0,0]=4 242 B10R1.15 C[C@H](CO)C1=CC=CC=C1 4835AB [1,1,0,0,0,0|0,0,1]=3 243 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [1,1,0,0,0,0|1,0,1]=4 244 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,1,0,0,0,0|1,0,1]=4 245 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [1,1,0,0,0,0|1,0,1]=4 247 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [1,1,0,0,0,0|2,0,0]=4 250 B10R1.17 C=CCNC1=CC=NC=C1 8332AC [1,1,0,0,0,0|2,0,0]=4 251 B10R1.17 COCCC1=NC=CC=C1 4987AL [1,1,0,0,0,0|1,0,1]=4 252 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|1,0,1]=4 253 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,1,0,0,0,0|0,0,0]=2 254 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [1,1,0,0,0,0|1,0,0]=3 255 B10R1.17 OCCCC1=NC=CC=C1 5625AJ [1,1,0,0,0,0|1,0,1]=4 256 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,1,0,0,0,0|1,0,1]=4 257 B10R1.13 C=C(C)C1=CC=C(C)C=C1 3347AA [0,1,0,0,1,0|2,0,0]=4 258 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [0,1,0,0,1,0|2,0,0]=4 259 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,1,0|1,0,0]=3 260 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,1,0|2,0,0]=4 261 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,1,0|0,0,1]=3 262 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 N143 [0,1,0,0,1,0|2,0,0]=4 263 B10R1.13 CC1=NN=C(C(=O)O)C=C1 Y9703 [0,1,0,0,1,0|2,0,0]=4 264 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 0354AA [0,1,0,0,1,0|1,0,1]=4 265 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,1,0,0,1,0|1,0,1]=4 266 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [0,1,0,0,1,0|2,0,0]=4 267 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [0,1,0,0,1,0|2,0,0]=4 268 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,1,0|1,0,0]=3 269 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 7653AF [0,1,0,0,1,0|1,0,1]=4 270 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [0,1,0,0,1,0|2,0,0]=4 271 B10R1.13 O=C(O)C1=CN=C(O)N=C1 W5910 [0,1,0,0,1,0|2,0,0]=4 272 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [0,1,0,0,1,0|1,0,0]=3 273 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [0,1,0,0,1,0|1,0,0]=3 274 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 Z8042 [0,1,0,0,1,0|1,0,0]=3 275 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 Y9394 [0,1,0,0,1,0|2,0,0]=4 276 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [0,1,0,0,1,0|1,0,1]=4 277 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,1,0|2,0,0]=4 278 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.61 CC(=O)C1=CC=CNC1=O W7482 [0,1,0,0,1,0|2,0,0]=4 280 B10R1.61 CC(=O)C1=NC=CC=C1Cl 5776AA [0,1,0,0,1,0|2,0,0]=4 281 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,1,0|2,0,0]=4 282 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 6296AA [0,1,0,0,1,0|1,0,1]=4 283 B10R1.61 CC1=C(C(=O)O)N=CC=C1 4521AA [0,1,0,0,1,0|1,0,0]=3 284 B10R1.61 CC1=CC=CN=C1C(N)=O 3720AF [0,1,0,0,1,0|2,0,0]=4 285 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [0,1,0,0,1,0|0,0,2]=4 286 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,1,0,0,1,0|2,0,0]=4 287 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.61 C[C@@H](O)C1=C(Br)C=CC=C1 N446 [0,1,0,0,1,0|1,0,1]=4 289 B10R1.61 C[C@H](O)C1=C(F)C=CC=C1 8791AA [0,1,0,0,1,0|1,0,1]=4 290 B10R1.61 C[C@H](O)C1=CC=CC=C1Br N448 [0,1,0,0,1,0|1,0,1]=4 291 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,1,0,0,1,0|2,0,0]=4 292 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,1,0,0,1,0|2,0,0]=4 293 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [0,1,0,0,1,0|2,0,0]=4 294 B10R1.61 NC(=O)C1=C(Cl)C=CN=C1 Y3257 [0,1,0,0,1,0|2,0,0]=4 295 B10R1.61 NC(=S)C1=CC=CC=C1Br 1055AQ [0,1,0,0,1,0|1,1,0]=4 296 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [0,1,0,0,1,0|2,0,0]=4 297 B10R1.61 O=C(O)C1=C(I)C=NC=C1 Y5476 [0,1,0,0,1,0|1,0,0]=3 298 B10R1.61 O=C(O)C1=NC=CN=C1Br W9637 [0,1,0,0,1,0|2,0,0]=4 299 B10R1.61 O=C(O)C1=NC=CN=C1I W4424 [0,1,0,0,1,0|2,0,0]=4 300 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,1,0|2,0,0]=4 301 B10R1.113 CC(=O)C1=NC(F)=CC=C1 6832AB [0,1,0,0,1,0|2,0,0]=4 302 B10R1.113 CC1=CC(C(=N)N)=CC=C1 2354AJ [0,1,0,0,1,0|2,0,0]=4 303 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,1,0|2,0,0]=4 304 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [0,1,0,0,1,0|2,0,0]=4 305 B10R1.113 C[C@@H](O)C1=CC(Cl)=CC=C1 3482AA [0,1,0,0,1,0|1,0,1]=4 306 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [0,1,0,0,1,0|1,0,1]=4 307 B10R1.113 C[C@H](O)C1=CC(Br)=CC=C1 6219AA [0,1,0,0,1,0|1,0,1]=4 308 B10R1.113 C[C@H](O)C1=CC(F)=CC=C1 5244AA [0,1,0,0,1,0|1,0,1]=4 309 B10R1.113 C[N+]1=CC(C(=O)O)=CC=C1 7814AH [0,1,0,0,1,0|1,0,0]=3 310 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [0,1,0,0,1,0|2,0,0]=4 311 B10R1.113 NC(=O)C1=NC(F)=CC=C1 V5539 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.113 O=C(O)C1=CN=CC(I)=C1 Z4205 [0,1,0,0,1,0|1,0,0]=3 314 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,1,0|1,0,0]=3 315 B10R1.113 O=C([O-])C1=CC(O)=CC=C1 8975AL [0,1,0,0,1,0|0,0,1]=3 316 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,1,0|1,0,1]=4 317 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [0,1,0,0,1,0|1,0,1]=4 318 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,1,0|1,0,0]=3 319 B10R1.23 CC(C(=O)O)N1C=CC=C1 9754AB [0,1,0,0,1,0|1,0,0]=3 320 B10R1.23 CC(C(=O)O)N1C=CC=N1 4391AF [0,1,0,0,1,0|2,0,0]=4 321 B10R1.23 CC(C(=O)O)N1C=CN=C1 2697AF [0,1,0,0,1,0|2,0,0]=4 322 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,1,0,0,1,0|1,0,0]=3 323 B10R1.23 NC(C(=O)O)C1=CSC=C1 4911AB [0,1,0,0,1,0|1,0,0]=3 324 B10R1.23 NC(C(=O)O)C1=CSC=C1 5423AJ [0,1,0,0,1,0|1,0,0]=3 325 B10R1.27 COC(=O)CC1=CSC=C1 3590AL [0,1,0,0,1,0|1,0,0]=3 326 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,1,0|1,0,0]=3 327 B10R1.54 NC1=CN(CC(=O)O)N=C1 0384AQ [0,1,0,0,1,0|2,0,0]=4 328 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 1145AL [0,1,0,0,1,0|1,0,0]=3 329 B10R1.54 O=C(O)CN1C=C(Br)C=N1 0164AF [0,1,0,0,1,0|2,0,0]=4 330 B10R1.64 CC1=C(CC(=O)O)SC=N1 6205AJ [0,1,0,0,1,0|2,0,0]=4 331 B10R1.64 CN1C=CN=C1CC(=O)O Y1955 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.64 N=C1SC=CN1CC(=O)O 0083AD [0,1,0,0,1,0|2,0,0]=4 333 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,1,0,0,0,1|2,0,0]=4 334 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,1|1,0,0]=3 335 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 0960AQ [0,1,0,0,0,1|1,0,0]=3 336 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,1,0,0,0,1|1,0,1]=4 337 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,1,0,0,0,1|1,0,1]=4 338 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,1,0,0,0,1|0,0,0]=2 339 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,1,0,0,0,1|0,0,0]=2 340 B12R1.21 CC1=CC=C(OCC(C)O)C=C1 4293AL [0,1,0,0,0,1|1,0,1]=4 341 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,1,0,0,0,1|1,0,1]=4 342 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,1,0,0,0,1|1,0,1]=4 343 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 6319AE [0,1,0,0,0,1|2,0,0]=4 344 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 0097AE [0,1,0,0,0,1|2,0,0]=4 345 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 1170AJ [0,1,0,0,0,1|2,0,0]=4 346 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 6031AE [0,1,0,0,0,1|1,0,0]=3 347 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 9422AE [0,1,0,0,0,1|1,0,0]=3 348 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,1,0,0,0,1|0,0,1]=3 349 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 3925AD [0,1,0,0,0,1|1,0,1]=4 350 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 Z4594 [0,1,0,0,0,1|0,0,1]=3 351 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,1,0,0,0,1|0,0,1]=3 352 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,1,0,0,0,1|0,0,0]=2 353 B12R1.21 O=C(O)\C=C\C1=NC=C(F)C=C1 5483AC [0,1,0,0,0,1|1,0,1]=4 354 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,1,0,0,0,1|1,0,1]=4 355 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|1,0,0]=3 356 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,1,0,0,0,1|2,0,0]=4 357 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,1|1,0,0]=3 358 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [0,1,0,0,0,1|0,0,0]=2 359 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,1,0,0,0,1|2,0,0]=4 360 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,1,0,0,0,1|2,0,0]=4 361 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,1,0,0,0,1|2,0,0]=4 362 B12R1.27 N\C(COC1=CC=CC=C1)=N/O 2638AF [0,1,0,0,0,1|1,0,0]=3 363 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,1,0,0,0,1|2,0,0]=4 364 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,1,0,0,0,1|1,0,0]=3 365 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,1,0,0,0,1|1,0,0]=3 366 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,1|1,0,0]=3 367 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,1|0,0,0]=2 368 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,1,0,0,0,1|1,0,0]=3 369 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,1|0,0,0]=2 370 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,1|1,0,0]=3 371 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O 9377AA [0,1,0,0,0,1|1,0,0]=3 372 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,1|1,0,0]=3 373 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O 4348AH [0,1,0,0,0,1|1,0,0]=3 374 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,0,0,0,1|0,0,1]=3 375 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,1|0,0,0]=2 376 B12R1.43 O=C([O-])C(=O)CC1=CC=CC=C1 4193AA [0,1,0,0,0,1|0,0,1]=3 377 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,1,0,0,0,1|1,0,1]=4 378 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [0,1,0,0,0,1|1,1,0]=4 379 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,1,0,0,0,1|1,0,0]=3 380 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,1,0,0,0,1|0,0,1]=3 381 B12R1.107 N[C@H](CC(=O)O)C1=CN=CC=C1 7786AA [0,1,0,0,0,1|1,0,0]=3 382 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,1|1,0,0]=3 383 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,1,0,0,0,1|1,0,1]=4 384 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,1,0,0,0,1|1,0,1]=4 385 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,1,0,0,0,1|1,0,1]=4 386 B12R1.125 O=C(Cl)\C=C\C1=C(F)C=CC=C1 0985AD [0,1,0,0,0,1|1,0,1]=4 387 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,1,0,0,0,1|1,0,1]=4 388 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,1,0,0,0,1|1,0,0]=3 389 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,1,0,0,0,1|1,0,0]=3 390 B12R1.125 O=C(O)CNC1=CC=CC=C1F W6767 [0,1,0,0,0,1|0,0,0]=2 391 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 8114AC [0,1,0,0,0,1|2,0,0]=4 392 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,1|1,0,0]=3 393 B12R1.226 NC(=O)C=CC1=CC(F)=CC=C1 0635AQ [0,1,0,0,0,1|1,0,1]=4 394 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,0,1|1,0,0]=3 395 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 3923AD [0,1,0,0,0,1|1,0,1]=4 396 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(F)=C1 2333AE [0,1,0,0,0,1|1,0,1]=4 397 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,0,1|0,0,0]=2 398 B12R1.226 O=C(O)COC1=CC=CC(Br)=C1 V3888 [0,1,0,0,0,1|0,0,0]=2 399 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,1,0,0,0,1|0,0,1]=3 400 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,1,0,0,0,1|1,0,0]=3 401 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 4419AB [0,2,0,0,0,0|2,0,0]=4 402 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,2,0,0,0,0|2,0,0]=4 403 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,2,0,0,0,0|2,0,0]=4 404 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 X4658 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.4 CC(=O)OC1=CC=C(CO)C=C1 1126AQ [0,2,0,0,0,0|2,0,0]=4 406 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,2,0,0,0,0|0,0,0]=2 407 B12R1.4 CCC1=CC=C(OC(C)=O)C=C1 6985AL [0,2,0,0,0,0|2,0,0]=4 408 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 Z2397 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.4 COC1=CC=C(CC(=O)O)C=N1 V8890 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X9403 [0,2,0,0,0,0|0,0,0]=2 411 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,2,0,0,0,0|0,0,0]=2 412 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,2,0,0,0,0|0,0,0]=2 413 B12R1.19 CC(=O)NC1=CC(F)=C(Br)C=C1 Z0533 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.19 CC(=O)NC1=CC(N)=C(C)C=C1 7210AE [0,2,0,0,0,0|2,0,0]=4 415 B12R1.19 CC(=O)NC1=CC=C(Cl)C(O)=C1 V4906 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.19 CC1=C(F)C=C(CC(=O)O)C=C1 2282AB [0,2,0,0,0,0|0,0,0]=2 417 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 4424AC [0,2,0,0,0,0|2,0,0]=4 418 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [0,2,0,0,0,0|0,0,0]=2 419 B12R1.19 NC1=CC=C(CC(=O)O)C=C1F Z4803 [0,2,0,0,0,0|0,0,0]=2 420 B12R1.19 NC1=CC=C(CC(=O)O)C=C1I 3795AD [0,2,0,0,0,0|0,0,0]=2 421 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,2,0,0,0,0|1,0,0]=3 422 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 4424AE [0,2,0,0,0,0|2,0,0]=4 423 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 V7421 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,2,0,0,0,0|0,0,0]=2 425 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,2,0,0,0,0|0,0,0]=2 426 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 Y6551 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.20 O=C(O)C(Br)C1=CC=C(F)C=C1 1179AQ [0,2,0,0,0,0|0,0,0]=2 428 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Cl)C=C1 Z5112 [0,2,0,0,0,0|0,0,0]=2 429 B12R1.20 O=C([O-])C(O)C1=CC=C(O)C=C1 0691AC [0,2,0,0,0,0|0,0,1]=3 430 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,2,0,0,0,0|1,0,0]=3 431 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,2,0,0,0,0|2,0,0]=4 432 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,2,0,0,0,0|1,0,0]=3 433 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 V4263 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 5932AE [0,2,0,0,0,0|1,0,0]=3 435 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.49 O=C(CBr)NC1=CC=C(Br)C=C1 5316AE [0,2,0,0,0,0|2,0,0]=4 437 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 5089AE [0,2,0,0,0,0|2,0,0]=4 438 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 8448AE [0,2,0,0,0,0|1,1,0]=4 439 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 Q321 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.106 CC1=CC=C(CS(N)(=O)=O)C=C1 7376AE [0,2,0,0,0,0|1,0,1]=4 442 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 8158AD [0,2,0,0,0,0|1,0,1]=4 443 B12R1.106 NC1=CC=C(CP(=O)(O)O)C=C1 0102AQ [0,2,0,0,0,0|1,0,0]=3 444 B12R1.106 NC1=CC=C(OS(=O)(=O)O)C=C1 I723 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.106 O=P(O)(O)CC1=CC=C(Br)C=C1 1129AQ [0,2,0,0,0,0|1,0,0]=3 446 B12R1.106 O=P(O)(O)CC1=CC=C(O)C=C1 1141AQ [0,2,0,0,0,0|1,0,0]=3 447 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1Br 5576AA [0,2,0,0,0,0|1,0,0]=3 448 B12R1.233 CC(=O)NC1=C(Cl)C=C(N)C=C1 8491AB [0,2,0,0,0,0|2,0,0]=4 449 B12R1.233 CC(=O)NC1=CC=C(C)C=C1N Y9371 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.233 CC(=O)NC1=CC=C(I)C=C1F V9891 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.233 NC1=NC=C(CC(=O)O)C(=O)N1 0747AF [0,2,0,0,0,0|2,0,0]=4 452 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 5009AH [0,2,0,0,0,0|0,0,0]=2 453 B12R1.233 O=C(O)CC1=NC=C(Cl)C=C1F Z8302 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 2957AB [0,2,0,0,0,0|2,0,0]=4 455 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,2,0,0,0,0|1,0,0]=3 456 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 7750AA [0,2,0,0,0,0|1,0,0]=3 457 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 6943AJ [0,2,0,0,0,0|1,0,0]=3 458 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 5191AB [0,2,0,0,0,0|0,0,1]=3 459 B12R1.225 CC(=O)C(=O)C1=CC(Cl)=CC=C1 8231AC [0,2,0,0,0,0|1,0,1]=4 460 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 6750AE [0,2,0,0,0,0|2,0,0]=4 461 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,2,0,0,0,0|0,0,0]=2 462 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,2,0,0,0,0|0,0,0]=2 463 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [0,2,0,0,0,0|0,0,0]=2 464 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [0,2,0,0,0,0|0,0,0]=2 465 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 5419AJ [0,2,0,0,0,0|0,0,0]=2 466 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 Z5958 [0,2,0,0,0,0|0,0,0]=2 467 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=N1 7845AC [0,2,0,0,0,0|1,0,0]=3 468 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,2,0,0,0,0|1,0,0]=3 469 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 7562AH [0,2,0,0,0,0|0,0,0]=2 470 B12R1.478 N#CC(C(N)=O)C1=CC=CC=C1 2051AC [0,2,0,0,0,0|1,0,0]=3 471 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,2,0,0,0,0|0,0,0]=2 472 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,2,0,0,0,0|0,0,0]=2 473 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 8900AA [0,2,0,0,0,0|1,0,0]=3 474 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [0,2,0,0,0,0|1,0,0]=3 475 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,2,0,0,0,0|2,0,0]=4 476 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [0,2,0,0,0,0|2,0,0]=4 477 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 9279AA [0,2,0,0,0,0|1,0,0]=3 478 B12R1.50 CC1=CC(NC(=O)CCl)=CC=C1 0226AE [0,2,0,0,0,0|2,0,0]=4 479 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 1548AD [0,2,0,0,0,0|2,0,0]=4 480 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 7324AD [0,2,0,0,0,0|2,0,0]=4 481 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 Y7716 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 V8751 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.50 O=C(CBr)NC1=CC(F)=CC=C1 1405AC [0,2,0,0,0,0|2,0,0]=4 484 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 3025AE [0,2,0,0,0,0|2,0,0]=4 485 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,2,0,0,0,0|1,0,1]=4 486 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [0,2,0,0,0,0|2,0,0]=4 487 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,2,0,0,0,0|2,0,0]=4 488 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,2,0,0,0,0|2,0,0]=4 489 B12R1.371 CNC(=O)CC1=CC=CC=C1Br V3106 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.371 COC(=O)NC1=C(C)C=CN=C1 8264AE [0,2,0,0,0,0|2,0,0]=4 491 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [0,2,0,0,0,0|2,0,0]=4 492 B12R1.371 O=C(CCl)NC1=CC=CC=C1F 4226AB [0,2,0,0,0,0|2,0,0]=4 493 B12R1.371 O=C(CS)NC1=CC=CC=C1Cl 5539AD [0,2,0,0,0,0|1,1,0]=4 494 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [0,2,0,0,0,0|2,0,0]=4 495 B12R1.75 C=CC1=C(OC(C)=O)C=CC=C1 3120AL [0,2,0,0,0,0|2,0,0]=4 496 B12R1.75 CC(=O)NC1=CC=CC=C1C#N 3623AL [0,2,0,0,0,0|2,0,0]=4 497 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [0,2,0,0,0,0|1,0,0]=3 498 B12R1.75 COC1=CC=CC=C1CC(=O)Cl 1722AL [0,2,0,0,0,0|1,0,0]=3 499 B12R1.75 COC1=CC=CC=C1OC(C)=O 6698AE [0,2,0,0,0,0|2,0,0]=4 500 B12R1.75 CSC1=C(NC(C)=O)C=CC=C1 3877AH [0,2,0,0,0,0|2,0,0]=4 501 B12R1.127 CC(=O)NC1=C(C)C=CC(Cl)=C1 8771AB [0,2,0,0,0,0|2,0,0]=4 502 B12R1.127 CC(=O)NC1=C(Cl)C=CC(Cl)=C1 1910AL [0,2,0,0,0,0|2,0,0]=4 503 B12R1.127 CC(=O)NC1=C(F)C=CC(N)=C1 9177AE [0,2,0,0,0,0|2,0,0]=4 504 B12R1.127 CC(=O)NC1=CC(Br)=CC=C1F V8602 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.127 CC(=O)NC1=CC(N)=CC=C1C W6857 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 5977AE [0,2,0,0,0,0|2,0,0]=4 507 B12R1.127 CC(=O)OC1=CC(C)=CC=C1C 1388AF [0,2,0,0,0,0|2,0,0]=4 508 B12R1.127 CC1=NN(CC(=O)O)C(=O)C=C1 2885AE [0,2,0,0,0,0|2,0,0]=4 509 B12R1.127 O=C(O)CC1=CC(=O)NNC1=O 3681AA [0,2,0,0,0,0|2,0,0]=4 510 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O 8637AH [0,2,0,0,0,0|2,0,0]=4 511 B12R1.224 CC(=O)NC1=C(C)C(F)=CC=C1 0179AE [0,2,0,0,0,0|2,0,0]=4 512 B12R1.224 CC(=O)NC1=C(C)C(N)=CC=C1 7571AE [0,2,0,0,0,0|2,0,0]=4 513 B12R1.224 CC(=O)NC1=CC=CC(Cl)=C1C 9113AE [0,2,0,0,0,0|2,0,0]=4 514 B12R1.224 NC1=CC=CN(CC(=O)O)C1=O 3109AB [0,2,0,0,0,0|1,0,0]=3 515 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1Cl 0957AE [0,2,0,0,0,0|2,0,0]=4 516 B12R1.1009 NC1=CC=CC(F)=C1CC(=O)O 1714AL [0,2,0,0,0,0|0,0,0]=2 517 B12R1.1009 O=C(O)CC1=C(Br)C=CC=C1Br W9288 [0,2,0,0,0,0|0,0,0]=2 518 B12R1.101 CC(=O)NC1=CC(Br)=CC(Br)=C1 Z8089 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.101 CC(=O)NC1=CC(Cl)=CC(Cl)=C1 3632AL [0,2,0,0,0,0|2,0,0]=4 520 B12R1.101 O=C(O)CC1=CC(F)=CC(Br)=C1 Z1874 [0,2,0,0,0,0|0,0,0]=2 521 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 U607 [0,2,0,0,0,0|0,0,0]=2 522 B12R1.119 NC1=CC=CC(CS(N)(=O)=O)=C1 0980AE [0,2,0,0,0,0|1,0,1]=4 523 B12R1.119 O=P(O)(O)CC1=CC(Br)=CC=C1 1093AQ [0,2,0,0,0,0|1,0,0]=3 524 B12R1.438 CC(=O)CC1=CC=CC(C#N)=C1 3203AH [0,2,0,0,0,0|1,0,0]=3 525 B12R1.438 COC1=CC(CC(=O)O)=CC=N1 6367AB [0,2,0,0,0,0|1,0,0]=3 526 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [0,2,0,0,0,0|2,0,0]=4 527 B12R1.438 O=C(O)CC1=CC(CCl)=CC=C1 4272AH [0,2,0,0,0,0|0,0,0]=2 528 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,1,1,0,0|1,0,1]=4 529 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,0,1,1,0,0|2,0,0]=4 530 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|2,0,0]=4 531 B10R2.7 C1=CC2=C(C=N1)OC=C2 Y5330 [1,0,0,1,0,0|1,0,1]=4 532 B10R2.7 C1=CN=C2OC=NC2=C1 7311AJ [1,0,0,1,0,0|2,0,0]=4 533 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,1|1,0,0]=3 534 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,0,0,1,0,1|1,0,1]=4 535 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|1,0,0]=3 536 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,0,1,0,1|2,0,0]=4 537 B12R2.24 O=C1CNC2=C(C=CC=N2)N1 9842AH [0,0,0,1,0,1|2,0,0]=4 538 B12R2.24 O=C1COC2=CC=CC=C2C1 9923AA [0,0,0,1,0,1|1,0,0]=3 539 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,0,0,1,0,1|2,0,0]=4 540 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,0,1|1,0,0]=3 541 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,1,0,1|0,0,2]=4 542 B12R2.24 SC1=NC2=CC=CC=C2CS1 V6175 [0,0,0,1,0,1|1,1,0]=4 543 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,0,0,1,0,1|0,0,0]=2 544 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 8094AD [0,1,0,1,0,0|1,0,1]=4 545 B12R2.606 CC1=CC=C2OC(Cl)=NC2=C1 Y8920 [0,1,0,1,0,0|2,0,0]=4 546 B12R2.606 CC1=CN=C2CC(=O)NC2=C1 X9359 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 0924AQ [0,1,0,1,0,0|2,0,0]=4 548 B12R2.606 CC1=NC2=CC(N)=CC=C2O1 Y9927 [0,1,0,1,0,0|2,0,0]=4 549 B12R2.606 ClC1=NC2=CC(Br)=CC=C2O1 Y6852 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 6353AA [0,1,0,1,0,0|2,0,0]=4 551 B12R2.606 NC1=CC=C2NC(=O)SC2=C1 8244AB [0,1,0,1,0,0|1,1,0]=4 552 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 1748AA [0,1,0,1,0,0|2,0,0]=4 553 B12R2.606 NC1=NC2=C(C=CC(Cl)=C2)O1 8905AB [0,1,0,1,0,0|2,0,0]=4 554 B12R2.606 O=C1CC2=C(C=C(Cl)C=N2)N1 6528AA [0,1,0,1,0,0|2,0,0]=4 555 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 V2187 [0,1,0,1,0,0|1,0,0]=3 556 B12R2.606 O=C1CC2=C(C=NC(Br)=C2)N1 3955AA [0,1,0,1,0,0|2,0,0]=4 557 B12R2.606 O=C1CC2=C(C=NC(Cl)=C2)N1 X9964 [0,1,0,1,0,0|2,0,0]=4 558 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 X9350 [0,1,0,1,0,0|2,0,0]=4 559 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 X6129 [0,1,0,1,0,0|2,0,0]=4 560 B12R2.606 O=C1CC2=CC=C(O)C=C2O1 W1997 [0,1,0,1,0,0|0,0,0]=2 561 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 0047AA [0,1,0,1,0,0|2,0,0]=4 562 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 X9963 [0,1,0,1,0,0|2,0,0]=4 563 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 X9354 [0,1,0,1,0,0|2,0,0]=4 564 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 6712AD [0,1,0,1,0,0|1,0,0]=3 565 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 2094AC [0,1,0,1,0,0|1,0,0]=3 566 B12R2.606 S=C1CC2=CC=C(Br)C=C2N1 3437AJ [0,1,0,1,0,0|1,1,0]=4 567 B12R2.606 S=C1NC2=CC=C(Br)C=C2O1 W4787 [0,1,0,1,0,0|1,1,0]=4 568 B12R2.18 CC1=C(C)C2=C(C=CC=C2)O1 4843AB [0,1,0,1,0,0|1,0,1]=4 569 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,1,0,1,0,0|1,1,0]=4 570 B12R2.18 O=C1OC2=CC=CC=C2C1Br 0372AQ [0,1,0,1,0,0|0,0,0]=2 571 B12R2.18 O[C@H]1C2=C(C=CC=C2)C[C@@H]1Br 0883AA [0,1,0,1,0,0|1,0,1]=4 572 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,1,0,1,0,0|1,0,1]=4 573 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,1,0,1,0,0|0,0,2]=4 574 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,1,0,1,0,0|2,0,0]=4 575 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 6658AD [0,1,0,1,0,0|2,0,0]=4 576 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [0,1,0,1,0,0|1,0,1]=4 577 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0817AB [0,1,0,1,0,0|1,0,1]=4 578 B12R2.202 CC1=C2NC(=O)CC2=NC=C1 W6992 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.202 CC1=C2NC(=O)NC2=CC=C1 V4053 [0,1,0,1,0,0|2,0,0]=4 580 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [0,1,0,1,0,0|1,1,0]=4 581 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 8731AD [0,1,0,1,0,0|1,0,1]=4 582 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 0933AE [0,1,0,1,0,0|2,0,0]=4 583 B12R2.202 CC1=NC2=C(O1)C(Br)=CC=C2 4537AA [0,1,0,1,0,0|2,0,0]=4 584 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 2704AA [0,1,0,1,0,0|2,0,0]=4 585 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 3230AA [0,1,0,1,0,0|2,0,0]=4 586 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 3012AC [0,1,0,1,0,0|1,0,0]=3 587 B12R2.202 O=C1CC2=C(C1)C(Cl)=CC=C2 Z5087 [0,1,0,1,0,0|1,0,0]=3 588 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 Y7437 [0,1,0,1,0,0|1,0,0]=3 589 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 X6198 [0,1,0,1,0,0|2,0,0]=4 590 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [0,1,0,1,0,0|1,0,0]=3 591 B12R2.202 OC1CC2=CC=CC(Br)=C2C1 6113AJ [0,1,0,1,0,0|1,0,1]=4 592 B12R2.202 SC1=NC2=CC=CC(Cl)=C2O1 4770AE [0,1,0,1,0,0|1,1,0]=4 593 B8R1.8 OCCN1C=CC=C1 4278AL [1,0,0,0,1,0|1,0,1]=4 594 B8R1.7 NC(=O)C1=CC=CN1 V6031 [0,0,0,0,2,0|2,0,0]=4 595 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,0,2,0|2,0,0]=4 596 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,2,0|2,0,0]=4 597 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,2,0|2,0,0]=4 598 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [0,0,0,0,2,0|1,0,0]=3 599 B12R1.252 CC(O)CNCC1=CC=CC=C1 2537AB [0,0,0,0,0,2|1,0,1]=4 600 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 4949AD [0,0,0,0,0,2|1,0,1]=4 601 B12R1.252 O=C(O)CCCC1=CC=CC=N1 0690AA [0,0,0,0,0,2|1,0,0]=3 602 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,2|1,0,0]=3 603 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,2|1,0,0]=3 604 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,0,0,0,0,2|1,0,1]=4