0 B10R1.18 BrC(Br)=CC1=CC=CC=C1 1551AC [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [0,0,0,0,0,0|3,0,0]=3 3 B10R1.18 CC(=O)NC1=CN=CN=C1 6306AB [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CC(C)=CC1=CC=CC=C1 1982AC [0,0,0,0,0,0|2,0,1]=3 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(N)CC1=CC=NC=C1 4587AH [0,0,0,0,0,0|3,0,1]=4 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 N=C(N)CC1=CC=CC=C1 1942AB [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 N=C(N)CC1=NC=CC=C1 0398AD [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 NC(=S)NC1=CC=CN=C1 9505AD [0,0,0,0,0,0|3,1,0]=4 12 B10R1.18 O=C(O)CC1=CC=NC=N1 W5433 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 O=C(O)CC1=NC=CC=C1 Y7391 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.18 S=C(Cl)SC1=CC=CC=C1 5446AD [0,0,0,0,0,0|2,1,0]=3 15 B9R1.8 BrCCC1=CC=CC=N1 5125AB [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 CCC[N+]1=CC=CC=C1 4961AL [1,0,0,0,0,0|2,0,1]=4 17 B9R1.8 CCC[N+]1=CC=CC=C1 K559 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.8 CNCC1=CC=CC=C1 3855AD [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=N1 0916AP [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 CNCC1=CC=CC=N1 7146AD [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCC1=CC=NC=C1 7436AH [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 NCCC1=CC=CC=C1 5784AL [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 NOCC1=CC=CN=C1 7306AJ [1,0,0,0,0,0|3,0,0]=4 28 B9R1.8 O=C=NC1=CC=CN=C1 Y9342 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 O=CNC1=NC=CC=C1 1807AL [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 OCCC1=CN=CN=C1 W8980 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 O\N=C\C1=CC=NC=C1 W9935 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 SCCC1=CC=NC=C1 9519AJ [1,0,0,0,0,0|1,1,1]=4 33 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 3482AH [1,0,0,0,0,0|2,0,0]=3 34 B11R1.20 CC(=O)NC1=CN=C(Cl)C=C1 V5002 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.20 CC(=O)NC1=NC=C(C)C=C1 Y9207 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N473 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [0,1,0,0,0,0|2,0,1]=4 38 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 V4105 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 4423AJ [0,1,0,0,0,0|3,0,0]=4 40 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 0100AC [0,1,0,0,0,0|3,0,0]=4 41 B11R1.20 NC(=O)NC1=CC=C(O)C=C1 7848AA [0,1,0,0,0,0|2,0,0]=3 42 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 2203AE [0,1,0,0,0,0|3,0,0]=4 43 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 5213AB [0,1,0,0,0,0|1,0,0]=2 44 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 9998AA [0,1,0,0,0,0|1,0,0]=2 45 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 X9387 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.20 S=C(Cl)OC1=CC=C(Cl)C=C1 6457AL [0,1,0,0,0,0|2,1,0]=4 47 B11R1.36 BrC(Br)=C(Br)C1=CC=CC=C1 O760 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 2006AC [0,1,0,0,0,0|1,0,0]=2 49 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Y8969 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.36 CC(=O)C(O)C1=CC=CC=C1 5136AJ [0,1,0,0,0,0|1,0,0]=2 51 B11R1.36 CC(C(=O)O)C1=NC=CC=N1 1362AH [0,1,0,0,0,0|2,0,0]=3 52 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [0,1,0,0,0,0|2,0,1]=4 54 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.36 CN(C(=O)Cl)C1=CC=CC=C1 Y1505 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 9111AE [0,1,0,0,0,0|1,0,0]=2 57 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 5421AJ [0,1,0,0,0,0|1,0,0]=2 58 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 5219AB [0,1,0,0,0,0|1,0,1]=3 59 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 7920AA [0,1,0,0,0,0|0,0,0]=1 60 B11R1.36 O=C(O)C(O)C1=CN=CC=C1 HTS033680 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y7506 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [0,1,0,0,0,0|2,0,1]=4 63 B11R1.40 COC(=O)CC1=CC=NC=C1 7081AJ [0,1,0,0,0,0|1,0,0]=2 64 B11R1.40 N#CC(Br)CC1=CC=CC=C1 V6952 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.40 N#CC(N)CC1=CC=CC=C1 V6584 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.40 N#CC(N)CC1=CC=CC=C1 V9283 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.40 NNC(=O)CC1=CC=CC=N1 7900AE [0,1,0,0,0,0|2,0,0]=3 68 B11R1.40 NNC(=O)CC1=CC=CN=C1 9337AJ [0,1,0,0,0,0|2,0,0]=3 69 B11R1.40 NNC(=O)CC1=CC=NC=C1 Y5522 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.40 O=C(CCl)NC1=CC=CN=C1 2248AC [0,1,0,0,0,0|3,0,0]=4 71 B11R1.40 O=C(CCl)NC1=CC=NC=C1 2552AC [0,1,0,0,0,0|3,0,0]=4 72 B11R1.40 O=C(CCl)OC1=CC=CC=C1 R105 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.40 O=C(CS)NC1=CC=CC=C1 4177AE [0,1,0,0,0,0|1,1,0]=3 74 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,1,0,0,0,0|1,0,0]=2 75 B11R1.86 CC(=O)NC1=C(Br)N=CC=C1 8863AJ [0,1,0,0,0,0|3,0,0]=4 76 B11R1.86 CC(=O)NC1=C(Cl)N=CC=C1 7247AD [0,1,0,0,0,0|3,0,0]=4 77 B11R1.86 CC(=O)NC1=C(N)C=NC=C1 Z3279 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.86 CC(=O)NC1=C(O)C=CN=C1 Z6416 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.86 CC(=O)NC1=CC=CNC1=O 9389AE [0,1,0,0,0,0|3,0,0]=4 81 B11R1.86 CC(=O)OC1=CC=CC=C1I 0334AE [0,1,0,0,0,0|2,0,0]=3 82 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,1,0,0,0,0|2,0,1]=4 83 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7575AH [0,1,0,0,0,0|3,0,0]=4 84 B11R1.86 CC1=C(NC(=N)N)C=CC=C1 7576AH [0,1,0,0,0,0|3,0,0]=4 85 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,1,0,0,0,0|3,0,0]=4 86 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,1,0,0,0,0|3,0,0]=4 87 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,1,0,0,0,0|3,0,0]=4 88 B11R1.86 N=C(N)CC1=CC=CC=C1Br 3452AD [0,1,0,0,0,0|2,0,0]=3 89 B11R1.86 N=C(N)CC1=CC=CC=C1Cl V6572 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.86 N=C(N)NC1=C(F)C=CC=C1 5657AB [0,1,0,0,0,0|3,0,0]=4 91 B11R1.86 NC(=S)NC1=CC=CC=C1Br V6496 [0,1,0,0,0,0|2,1,0]=4 92 B11R1.86 NC1=NC=CC=C1CC(=O)O 0495AA [0,1,0,0,0,0|1,0,0]=2 93 B11R1.86 O=C(O)CC1=C(Cl)N=CN=C1 5063AB [0,1,0,0,0,0|2,0,0]=3 94 B11R1.157 CC(=O)CC1=NC(C)=CC=C1 9512AH [0,1,0,0,0,0|2,0,0]=3 95 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 8054AF [0,1,0,0,0,0|2,0,0]=3 96 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 Z6551 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 1694AC [0,1,0,0,0,0|3,0,0]=4 98 B11R1.157 CC(C)CC1=CC=CC(N)=C1 5897AA [0,1,0,0,0,0|2,0,1]=4 99 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 X7036 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.157 CC1=NC(CC(=O)[O-])=CC=C1 0758AP [0,1,0,0,0,0|1,0,1]=3 101 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 9927AB [0,1,0,0,0,0|2,0,0]=3 102 B11R1.157 N=C(N)NC1=CC(Cl)=CC=C1 9218AB [0,1,0,0,0,0|3,0,0]=4 103 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 2129AB [0,1,0,0,0,0|2,0,0]=3 104 B11R1.157 NC(=S)NC1=CC=CC(Br)=C1 Y8238 [0,1,0,0,0,0|2,1,0]=4 105 B11R1.157 O=C(O)CC1=CC(O)=NC=N1 8845AC [0,1,0,0,0,0|2,0,0]=3 106 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 W9585 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5351AA [0,1,0,0,0,0|3,0,0]=4 108 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 7156AL [0,1,0,0,0,0|3,0,0]=4 109 B11R1.509 C[Si](C)(Cl)CC1=CC=CC=C1 7150AL [0,1,0,0,0,0|2,1,0]=4 110 B11R1.509 O=S(=O)(Cl)CC1=CC=NC=C1 4307AH [0,1,0,0,0,0|2,0,1]=4 111 B11R2.4 NC1CC1C2=CC=CC=C2 2168AL [0,0,0,1,0,0|2,0,1]=4 112 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8373AH [0,0,0,1,0,0|2,0,1]=4 113 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 8412AH [0,0,0,1,0,0|2,0,1]=4 114 B11R2.10 BrB1OC2=C(C=CC=C2)O1 5512AL [0,0,0,1,0,0|3,0,0]=4 115 B11R2.10 CC1=CC2=C(C=CC=C2)O1 X5959 [0,0,0,1,0,0|1,0,1]=3 116 B11R2.10 ClB1OC2=C(C=CC=C2)O1 5556AL [0,0,0,1,0,0|3,0,0]=4 117 B11R2.10 ClC1=NC2=C(C=NC=C2)O1 4909AA [0,0,0,1,0,0|3,0,0]=4 118 B11R2.10 ClC1=NC2=CC=CN=C2O1 8050AA [0,0,0,1,0,0|3,0,0]=4 119 B11R2.10 ClC1=NC2=NC=CC=C2O1 0645AP [0,0,0,1,0,0|3,0,0]=4 120 B11R2.10 IC1=CC2=CC=CC=C2N1 2333AB [0,0,0,1,0,0|2,0,1]=4 121 B11R2.10 NC1=CC2=C(C=CC=C2)N1 U958 [0,0,0,1,0,0|2,0,1]=4 122 B11R2.10 NC1=CC2=CC=CC=C2S1 W6356 [0,0,0,1,0,0|1,1,1]=4 123 B11R2.10 NC1=NC2=C(C=CC=C2)S1 5495AL [0,0,0,1,0,0|2,1,0]=4 124 B11R2.10 NC1=NC2=C(C=CN=C2)O1 Z3900 [0,0,0,1,0,0|3,0,0]=4 125 B11R2.10 NC1=NC2=C(N=CC=C2)O1 3092AA [0,0,0,1,0,0|3,0,0]=4 126 B11R2.10 NC1=NC2=NC=CC=C2O1 V5829 [0,0,0,1,0,0|3,0,0]=4 127 B11R2.10 O=C1CC2=C(C=CC=N2)N1 3636AB [0,0,0,1,0,0|2,0,0]=3 128 B11R2.10 O=C1CC2=C(C=NC=C2)N1 3015AB [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 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [0,0,0,0,1,0|3,0,0]=4 132 B9R1.6 CC(Cl)C1=CC=CC=C1 U237 [0,0,0,0,1,0|2,0,1]=4 133 B9R1.6 CP(C)C1=CC=CC=C1 7271AL [0,0,0,0,1,0|3,0,0]=4 134 B9R1.6 CS(=O)C1=NC=CC=C1 7769AJ [0,0,0,0,1,0|3,0,0]=4 135 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [0,0,0,0,1,0|2,0,1]=4 136 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [0,0,0,0,1,0|2,0,1]=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=NC=C1 4648AC [0,0,0,0,1,0|3,0,0]=4 140 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(Br)C1=CC=CC=C1 9276AB [0,0,0,0,1,0|1,0,0]=2 144 B9R1.6 O=C(Cl)C1=NC=CN=C1 Y8139 [0,0,0,0,1,0|3,0,0]=4 145 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,0,0,0,1,0|0,0,2]=3 146 B9R1.6 O=C(S)C1=CN=CC=C1 9152AL [0,0,0,0,1,0|1,1,0]=3 147 B9R1.6 O=C([O-])C1=CC=CC=C1 V1445 [0,0,0,0,1,0|0,0,1]=2 148 B9R1.6 O=C([O-])C1=CC=NC=N1 2020AH [0,0,0,0,1,0|2,0,1]=4 149 B9R1.6 O=S(O)C1=CC=CC=C1 9279AB [0,0,0,0,1,0|1,0,0]=2 150 B9R1.6 O=[N+]([O-])C1=CC=NC=C1 N230 [0,0,0,0,1,0|2,0,1]=4 151 B9R1.6 O=[N+]([O-])C1=CN=CC=C1 X3371 [0,0,0,0,1,0|2,0,1]=4 152 B9R1.6 OB(O)C1=NC=CC=C1 X0604 [0,0,0,0,1,0|2,0,1]=4 153 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,1,0|2,0,0]=3 154 B9R1.13 CC(=O)CC1=CSC=C1 1470AL [0,0,0,0,1,0|2,0,0]=3 155 B9R1.13 CC(=O)CN1C=CN=C1 3690AD [0,0,0,0,1,0|3,0,0]=4 156 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,1,0|3,0,0]=4 157 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,1,0|2,0,1]=4 158 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,0,0,0,1,0|3,0,0]=4 159 B9R1.13 NC(=O)CN1C=CN=C1 0131AC [0,0,0,0,1,0|3,0,0]=4 160 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,1,0|1,0,0]=2 161 B9R1.13 O=C(O)CC1=CN=CN1 7355AE [0,0,0,0,1,0|2,0,0]=3 162 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,1,0|1,0,0]=2 163 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,0,0,0,1,0|2,0,0]=3 164 B9R1.13 O=C(O)CC1=NC=CN1 6377AD [0,0,0,0,1,0|2,0,0]=3 165 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,0,0,0,1,0|2,0,0]=3 166 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,1,0|2,0,0]=3 167 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,0,0,0,1,0|2,0,0]=3 168 B9R1.13 O=C(O)CC1=NOC=C1 9989AH [0,0,0,0,1,0|2,0,0]=3 169 B9R1.13 O=C(O)CN1C=CN=N1 3285AE [0,0,0,0,1,0|3,0,0]=4 170 B9R1.13 O=C(O)CN1C=NC=N1 Y8565 [0,0,0,0,1,0|3,0,0]=4 171 B9R1.13 O=C(O)CN1N=CC=N1 W6268 [0,0,0,0,1,0|3,0,0]=4 172 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,1|2,0,0]=3 173 B11R1.91 CC(=O)COC1=CC=CC=C1 X5334 [0,0,0,0,0,1|1,0,0]=2 174 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,1|2,0,0]=3 175 B11R1.91 CC(Cl)COC1=CC=CC=C1 4945AL [0,0,0,0,0,1|2,0,1]=4 176 B11R1.91 CC(N)COC1=CC=CC=C1 4356AB [0,0,0,0,0,1|2,0,1]=4 177 B11R1.91 N=C(N)CCC1=CC=CC=C1 8227AD [0,0,0,0,0,1|2,0,0]=3 178 B11R1.91 N=C(N)CSC1=CC=CC=C1 0460AF [0,0,0,0,0,1|2,0,0]=3 179 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2381AJ [0,0,0,0,0,1|2,0,1]=4 180 B11R1.91 N=C(N)\C=C\C1=CC=CC=C1 2382AJ [0,0,0,0,0,1|2,0,1]=4 181 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,1|2,0,0]=3 182 B11R1.91 NC(=[NH2+])SCC1=CC=CC=C1 AMTEC014 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.91 NC(N)=NCC1=CC=CC=C1 7568AD [0,0,0,0,0,1|2,0,0]=3 184 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 E582 [0,0,0,0,0,1|2,0,0]=3 185 B11R1.91 O=C(O)C#CC1=CC=CN=C1 5647AJ [0,0,0,0,0,1|1,0,1]=3 186 B11R1.91 O=C(O)C#CC1=NC=CC=C1 5629AJ [0,0,0,0,0,1|1,0,1]=3 187 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,1|2,0,0]=3 188 B11R1.91 O=C(O)COC1=CN=CC=C1 1038AF [0,0,0,0,0,1|1,0,0]=2 189 B11R1.91 O=C(O)CSC1=NC=CC=C1 7051AC [0,0,0,0,0,1|1,0,0]=2 190 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 8155AF [0,0,0,0,0,1|0,0,2]=3 191 B11R1.91 OB(O)CSC1=NC=CC=C1 Z8917 [0,0,0,0,0,1|2,0,1]=4 192 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 0445AC [0,0,0,0,0,1|1,0,2]=4 193 B8R1.2 Br[Se]C1=CC=CC=C1 8804AL [2,0,0,0,0,0|2,0,0]=4 194 B8R1.2 CC[N+]1=CC=CC=C1 E438 [2,0,0,0,0,0|1,0,1]=4 195 B8R1.2 FCC1=CC=NC=C1 2557AL [2,0,0,0,0,0|2,0,0]=4 196 B8R1.2 NCC1=CC=CC=C1 7149AL [2,0,0,0,0,0|1,0,0]=3 197 B8R1.2 NCC1=CC=NC=C1 Z3385 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 O=CC1=CN=NC=C1 7044AB [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 O=CC1=NC=CC=N1 Y3220 [2,0,0,0,0,0|2,0,0]=4 200 B8R1.2 O=CC1=NC=CN=C1 X7048 [2,0,0,0,0,0|2,0,0]=4 201 B8R1.2 OCC1=CC=NC=N1 W5525 [2,0,0,0,0,0|2,0,0]=4 202 B8R1.2 OCC1=CN=NC=C1 7045AB [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 OCC1=NC=CN=C1 W7769 [2,0,0,0,0,0|2,0,0]=4 204 B8R1.2 OCC1=NN=CC=C1 W5830 [2,0,0,0,0,0|2,0,0]=4 205 B8R1.2 SCC1=CC=CN=C1 Z2753 [2,0,0,0,0,0|1,1,0]=4 206 B10R1.1 BrC1=CC=C(CCI)C=C1 3237AC [1,1,0,0,0,0|1,0,1]=4 207 B10R1.1 C=CCC1=CC=C(Br)C=C1 7818AD [1,1,0,0,0,0|1,0,0]=3 208 B10R1.1 C=CCC1=CC=C(Cl)C=C1 5641AD [1,1,0,0,0,0|1,0,0]=3 209 B10R1.1 C=CCC1=CC=C(F)C=C1 0990AQ [1,1,0,0,0,0|1,0,0]=3 210 B10R1.1 CC1=CC=C(CCO)C=C1 X8365 [1,1,0,0,0,0|0,0,1]=3 211 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 CCCC1=CC=C(C)C=C1 4911AL [1,1,0,0,0,0|1,0,1]=4 213 B10R1.1 CCCC1=CC=C(F)C=C1 2755AE [1,1,0,0,0,0|1,0,1]=4 214 B10R1.1 CNCC1=CC=C(O)C=C1 6057AJ [1,1,0,0,0,0|2,0,0]=4 215 B10R1.1 COCC1=CC=C(I)C=C1 5525AC [1,1,0,0,0,0|2,0,0]=4 216 B10R1.1 NCCC1=CC=C(Cl)C=C1 1166AJ [1,1,0,0,0,0|1,0,1]=4 217 B10R1.1 NNCC1=CC=C(F)C=C1 0826AC [1,1,0,0,0,0|2,0,0]=4 218 B10R1.1 NOCC1=CC=C(Br)C=C1 5547AB [1,1,0,0,0,0|2,0,0]=4 219 B10R1.1 NOCC1=CC=C(Cl)C=C1 X4802 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.1 O\N=C\C1=CC=C(O)C=C1 6494AE [1,1,0,0,0,0|1,0,1]=4 221 B10R1.4 BrCCC1=CC=CC=C1Br Z7172 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.4 CC1=CC=CC=C1CNN 4794AE [1,1,0,0,0,0|2,0,0]=4 223 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,1,0,0,0,0|1,0,1]=4 224 B10R1.4 CCCC1=C(N)C=CC=C1 P410 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.4 N#CCC1=C(O)C=CC=C1 7309AA [1,1,0,0,0,0|1,0,1]=4 226 B10R1.4 NCCC1=CC=CC=C1O Z4391 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.4 NNCC1=CC=CC=C1Cl 4668AE [1,1,0,0,0,0|2,0,0]=4 228 B10R1.4 NOCC1=CC=CC=C1F 7325AD [1,1,0,0,0,0|2,0,0]=4 229 B10R1.4 NOCC1=CC=CC=C1I 3260AC [1,1,0,0,0,0|2,0,0]=4 230 B10R1.4 O=CCC1=CC=CC=C1F 1702AC [1,1,0,0,0,0|0,0,0]=2 231 B10R1.4 ONCC1=CC=CC=C1F Z3766 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.4 O\N=C\C1=C(F)C=CC=C1 6229AB [1,1,0,0,0,0|1,0,1]=4 233 B10R1.4 O\N=C\C1=CC=CC=C1Br 2021AL [1,1,0,0,0,0|1,0,1]=4 234 B10R1.4 O\N=C\C1=CC=CC=C1Cl 1838AE [1,1,0,0,0,0|1,0,1]=4 235 B10R1.10 C=CCC1=CC(Br)=CC=C1 6124AD [1,1,0,0,0,0|1,0,0]=3 236 B10R1.10 CC1=CC(CCBr)=CC=C1 0637AQ [1,1,0,0,0,0|1,0,1]=4 237 B10R1.10 CC1=CC=CC(CCO)=N1 Y4754 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.10 CCCC1=CC(C)=CC=C1 4908AL [1,1,0,0,0,0|1,0,1]=4 239 B10R1.10 CNCC1=CC(O)=CC=C1 2952AD [1,1,0,0,0,0|2,0,0]=4 240 B10R1.10 N#CCC1=CC(O)=CC=C1 5340AH [1,1,0,0,0,0|1,0,1]=4 241 B10R1.10 NNCC1=CC(F)=CC=C1 4670AE [1,1,0,0,0,0|2,0,0]=4 242 B10R1.10 NOCC1=CC(Cl)=CC=C1 3026AB [1,1,0,0,0,0|2,0,0]=4 243 B10R1.10 O=C1C=C(CCO)C=CC1 V0891 [1,1,0,0,0,0|0,0,2]=4 244 B10R1.10 O=CNC1=NC=CC(Br)=C1 Z9862 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.10 OCCC1=CC=NC(Cl)=C1 1041AJ [1,1,0,0,0,0|1,0,1]=4 246 B10R1.10 O\N=C\C1=CC(Cl)=CC=C1 5550AC [1,1,0,0,0,0|1,0,1]=4 247 B10R1.10 O\N=C\C1=CC(O)=CC=C1 7611AD [1,1,0,0,0,0|1,0,1]=4 248 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 4800AJ [1,1,0,0,0,0|1,0,1]=4 249 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 4836AJ [1,1,0,0,0,0|1,0,1]=4 250 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,1,0,0,0,0|1,0,1]=4 251 B10R1.15 CCC(Cl)C1=CC=CC=C1 1017AL [1,1,0,0,0,0|1,0,1]=4 252 B10R1.15 CCC(N)C1=CC=CC=C1 8188AD [1,1,0,0,0,0|1,0,1]=4 253 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|1,0,1]=4 254 B10R1.15 CC[C@H](O)C1=CC=CC=C1 7483AJ [1,1,0,0,0,0|1,0,1]=4 255 B10R1.15 CN[C@H](C)C1=CC=CC=C1 O017 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.15 C[C@H](CN)C1=CC=CC=C1 U641 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.15 FC(CBr)C1=CC=CC=C1 9366AA [1,1,0,0,0,0|1,0,1]=4 258 B10R1.15 NC(CF)C1=CC=CC=C1 0514AQ [1,1,0,0,0,0|1,0,1]=4 259 B10R1.15 NC(CO)C1=CC=CN=C1 1473AJ [1,1,0,0,0,0|1,0,1]=4 260 B10R1.15 NC(CO)C1=CC=CN=C1 W5825 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.15 NC(CO)C1=CC=NC=C1 1467AJ [1,1,0,0,0,0|1,0,1]=4 262 B10R1.15 NCC(N)C1=CC=CC=C1 8359AB [1,1,0,0,0,0|1,0,1]=4 263 B10R1.15 NCC(N)C1=CC=CC=C1 8461AA [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 OC(CBr)C1=CC=CC=C1 W4218 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 O\N=C(\Cl)C1=CC=CC=C1 O705 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.17 C=CCNC1=CC=CN=C1 6927AD [1,1,0,0,0,0|2,0,0]=4 267 B10R1.17 C=CCNC1=CC=NC=C1 8332AC [1,1,0,0,0,0|2,0,0]=4 268 B10R1.17 NCCSC1=CC=CC=C1 6800AD [1,1,0,0,0,0|1,0,1]=4 269 B10R1.17 O=CCOC1=CC=CC=C1 0811AB [1,1,0,0,0,0|0,0,0]=2 270 B10R1.17 O=CNNC1=CC=CC=C1 9369AB [1,1,0,0,0,0|1,0,0]=3 271 B10R1.17 OCCSC1=CC=CC=C1 K990 [1,1,0,0,0,0|0,0,1]=3 272 B10R1.17 OC\C=C\C1=CC=CN=C1 5644AJ [1,1,0,0,0,0|1,0,1]=4 273 B10R1.17 OC\C=C\C1=NC=CC=C1 5626AJ [1,1,0,0,0,0|1,0,1]=4 274 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 Z6329 [1,1,0,0,0,0|1,0,1]=4 275 B10R1.13 C=C(C)C1=CC=C(F)C=C1 2727AL [0,1,0,0,1,0|2,0,0]=4 276 B10R1.13 C=C(C)C1=CC=C(O)C=C1 5917AB [0,1,0,0,1,0|2,0,0]=4 277 B10R1.13 CC(=O)C1=CC=C(N)C=C1 6399AL [0,1,0,0,1,0|1,0,0]=3 278 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,1,0,0,1,0|2,0,0]=4 279 B10R1.13 CC(=O)C1=CN=C(N)C=C1 0193AB [0,1,0,0,1,0|2,0,0]=4 280 B10R1.13 CC(O)C1=CC=C(N)C=C1 7206AA [0,1,0,0,1,0|1,0,1]=4 281 B10R1.13 CC1=CC=C(C(=O)[O-])C=C1 8386AA [0,1,0,0,1,0|0,0,1]=3 282 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [0,1,0,0,1,0|2,0,0]=4 283 B10R1.13 CS(=O)C1=CC=C(Cl)C=C1 5861AC [0,1,0,0,1,0|2,0,0]=4 284 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,1,0,0,1,0|1,0,1]=4 285 B10R1.13 C[C@H](O)C1=CC=C(F)C=C1 0357AA [0,1,0,0,1,0|1,0,1]=4 286 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2844AJ [0,1,0,0,1,0|2,0,0]=4 287 B10R1.13 N=C(N)C1=CC=C(N)C=C1 W8418 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.13 NC(=O)C1=CN=C(N)C=C1 Z2495 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.13 NC(=O)C1=CN=C(O)C=C1 U983 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.13 NC1=CC=C(C(=O)O)C=N1 3422AJ [0,1,0,0,1,0|1,0,0]=3 291 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7848AF [0,1,0,0,1,0|0,0,1]=3 292 B10R1.13 NC1=CN=C(C(=O)O)N=C1 Z4892 [0,1,0,0,1,0|2,0,0]=4 293 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 9979AB [0,1,0,0,1,0|2,0,0]=4 294 B10R1.13 O=S(O)C1=CC=C(Br)C=C1 3348AA [0,1,0,0,1,0|1,0,0]=3 295 B10R1.13 O=[PH](O)C1=CC=C(Br)C=C1 5127AB [0,1,0,0,1,0|1,0,0]=3 296 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 Y9394 [0,1,0,0,1,0|2,0,0]=4 297 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 5121AF [0,1,0,0,1,0|1,0,1]=4 298 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 X6787 [0,1,0,0,1,0|1,0,0]=3 299 B10R1.61 C=C(C)C1=C(C)C=CC=C1 5671AL [0,1,0,0,1,0|2,0,0]=4 300 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [0,1,0,0,1,0|2,0,0]=4 301 B10R1.61 CC(=O)C1=C(N)C=CC=N1 4526AH [0,1,0,0,1,0|2,0,0]=4 302 B10R1.61 CC(=O)C1=C(O)C=NC=C1 Z4577 [0,1,0,0,1,0|2,0,0]=4 303 B10R1.61 CC(=O)C1=CC=NC=C1N 7556AJ [0,1,0,0,1,0|2,0,0]=4 304 B10R1.61 CC(=O)C1=CN=CC=C1C 7123AB [0,1,0,0,1,0|2,0,0]=4 305 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,1,0,0,1,0|2,0,0]=4 306 B10R1.61 CC1=CC=CC=C1[C@@H](C)O Y1501 [0,1,0,0,1,0|1,0,1]=4 307 B10R1.61 CC1=CC=CC=C1[C@H](C)O Y1500 [0,1,0,0,1,0|1,0,1]=4 308 B10R1.61 CS(=O)C1=CC=CC=C1Br 8910AE [0,1,0,0,1,0|2,0,0]=4 309 B10R1.61 CS(=O)C1=CC=CC=C1O Z7171 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 1622AJ [0,1,0,0,1,0|2,0,0]=4 311 B10R1.61 N=C(N)C1=CC=CC=C1Cl 6297AB [0,1,0,0,1,0|2,0,0]=4 312 B10R1.61 N=C(N)C1=CC=CC=C1F 1049AC [0,1,0,0,1,0|2,0,0]=4 313 B10R1.61 NC1=CN=CN=C1C(=O)O 8941AB [0,1,0,0,1,0|2,0,0]=4 314 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [0,1,0,0,1,0|2,0,0]=4 315 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 Y9704 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.61 O=C(O)C1=C(I)N=CC=C1 1745AJ [0,1,0,0,1,0|1,0,0]=3 317 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [0,1,0,0,1,0|2,0,0]=4 318 B10R1.113 CC(=O)C1=CC(F)=CN=C1 3535AA [0,1,0,0,1,0|2,0,0]=4 319 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [0,1,0,0,1,0|2,0,0]=4 320 B10R1.113 CC1=CC(C(=O)O)=NC=N1 6686AA [0,1,0,0,1,0|2,0,0]=4 321 B10R1.113 CC1=CC(C(N)=O)=NC=C1 5258AE [0,1,0,0,1,0|2,0,0]=4 322 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [0,1,0,0,1,0|1,0,1]=4 323 B10R1.113 C[C@@H](O)C1=CC=CC(F)=C1 5245AA [0,1,0,0,1,0|1,0,1]=4 324 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [0,1,0,0,1,0|2,0,0]=4 325 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 2211AJ [0,1,0,0,1,0|2,0,0]=4 326 B10R1.113 NC(=O)C1=CN=CC(F)=C1 V7403 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.113 NC(=O)C1=NC(N)=CC=C1 3423AJ [0,1,0,0,1,0|2,0,0]=4 328 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [0,1,0,0,1,0|1,1,0]=4 329 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [0,1,0,0,1,0|0,0,1]=3 330 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.113 NC1=NC=NC(C(=O)O)=C1 W5896 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 J70037 [0,1,0,0,1,0|1,0,0]=3 333 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 Z2563 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.113 O=C(O)C1=NC(I)=CC=C1 5470AE [0,1,0,0,1,0|1,0,0]=3 335 B10R1.113 O=C(O)C1=NC=CC(F)=C1 W9141 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 6772AE [0,1,0,0,1,0|1,0,1]=4 337 B10R1.113 O=S([O-])C1=CC=CC(Br)=C1 V8824 [0,1,0,0,1,0|1,0,1]=4 338 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,1,0|1,0,0]=3 339 B10R1.23 CC(C(=O)O)N1C=CC=C1 9754AB [0,1,0,0,1,0|1,0,0]=3 340 B10R1.23 CC(C(=O)O)N1C=CC=N1 4391AF [0,1,0,0,1,0|2,0,0]=4 341 B10R1.23 CC(C(=O)O)N1C=CN=C1 2697AF [0,1,0,0,1,0|2,0,0]=4 342 B10R1.23 NC(C(=O)O)C1=COC=C1 X3278 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.23 N[C@H](C(=O)O)C1=CC=CS1 Z5876 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,1,0|1,0,0]=3 345 B10R1.54 CC1=NN(CC(=O)O)C=C1 9479AA [0,1,0,0,1,0|2,0,0]=4 346 B10R1.54 CN1C=NC(CC(=O)O)=C1 2304AB [0,1,0,0,1,0|2,0,0]=4 347 B10R1.54 O=C(O)CC1=CSC(Br)=N1 1036AJ [0,1,0,0,1,0|2,0,0]=4 348 B10R1.64 CC1=CC=NN1CC(=O)O 6059AD [0,1,0,0,1,0|2,0,0]=4 349 B10R1.64 CN1C=CC=C1CC(=O)O W4519 [0,1,0,0,1,0|1,0,0]=3 350 B10R1.64 CN1C=CN=C1CC(=O)O Y1955 [0,1,0,0,1,0|2,0,0]=4 351 B10R1.64 N=C1SC=CN1CC(=O)O 0083AD [0,1,0,0,1,0|2,0,0]=4 352 B12R1.21 C=C(Cl)CCC1=CC=C(Cl)C=C1 8896AE [0,1,0,0,0,1|2,0,0]=4 353 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 2186AC [0,1,0,0,0,1|1,0,0]=3 354 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,1|1,0,0]=3 355 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 5859AD [0,1,0,0,0,1|2,0,0]=4 356 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 0915AF [0,1,0,0,0,1|1,0,0]=3 357 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 8152AA [0,1,0,0,0,1|1,0,1]=4 358 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 6197AL [0,1,0,0,0,1|1,0,1]=4 359 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7457AD [0,1,0,0,0,1|0,0,0]=2 360 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 7458AD [0,1,0,0,0,1|0,0,0]=2 361 B12R1.21 CC1=CC=C(OCC(C)O)C=C1 4293AL [0,1,0,0,0,1|1,0,1]=4 362 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 3924AD [0,1,0,0,0,1|1,0,1]=4 363 B12R1.21 C[C@H](O)CCC1=CC=C(O)C=C1 9964AJ [0,1,0,0,0,1|1,0,1]=4 364 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 6319AE [0,1,0,0,0,1|2,0,0]=4 365 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 0097AE [0,1,0,0,0,1|2,0,0]=4 366 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 1170AJ [0,1,0,0,0,1|2,0,0]=4 367 B12R1.21 NC(=[NH2+])SCC1=CC=C(Br)C=C1 AMTEC010 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.21 NC(=[NH2+])SCC1=CC=C(F)C=C1 AMTEC009 [0,1,0,0,0,1|2,0,0]=4 369 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 W4673 [0,1,0,0,0,1|0,0,0]=2 370 B12R1.21 NC1=CC=C(SCC(=O)O)C=C1 8075AF [0,1,0,0,0,1|0,0,0]=2 371 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 7761AB [0,1,0,0,0,1|0,0,1]=3 372 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 4346AF [0,1,0,0,0,1|1,0,1]=4 373 B12R1.21 O=C(O)C=CC1=CC=C(S)C=C1 2914AB [0,1,0,0,0,1|0,0,1]=3 374 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 O075 [0,1,0,0,0,1|0,0,0]=2 375 B12R1.21 O=C(O)COC1=CC=C(O)C=C1 8063AF [0,1,0,0,0,1|0,0,0]=2 376 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)N=C1 2985AA [0,1,0,0,0,1|1,0,1]=4 377 B12R1.27 C#CC(=O)OCC1=CC=CC=C1 3157AL [0,1,0,0,0,1|1,0,0]=3 378 B12R1.27 CC(CO)NCC1=CC=CC=C1 8255AE [0,1,0,0,0,1|1,0,1]=4 379 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|1,0,0]=3 380 B12R1.27 CCC(=O)NNC1=CC=CC=C1 7054AD [0,1,0,0,0,1|2,0,0]=4 381 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,1|1,0,0]=3 382 B12R1.27 COC(=O)CCC1=CN=CN=C1 X7986 [0,1,0,0,0,1|2,0,0]=4 383 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,1,0,0,0,1|2,0,0]=4 384 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,1,0,0,0,1|2,0,0]=4 385 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,1,0,0,0,1|2,0,0]=4 386 B12R1.27 NNC(=O)CCC1=CN=CC=C1 9437AJ [0,1,0,0,0,1|2,0,0]=4 387 B12R1.27 NNC(=S)NCC1=CC=CC=C1 3861AD [0,1,0,0,0,1|1,1,0]=4 388 B12R1.27 O=C(CCl)NNC1=CC=CC=C1 7817AD [0,1,0,0,0,1|2,0,0]=4 389 B12R1.27 O=C(NO)NNC1=CC=CC=C1 1378AD [0,1,0,0,0,1|1,0,0]=3 390 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Y7489 [0,1,0,0,0,1|0,0,2]=4 391 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O 0185AE [0,1,0,0,0,1|1,0,0]=3 392 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 9529AF [0,1,0,0,0,1|0,0,0]=2 393 B12R1.43 CC(OC1=CC=CC=C1)C(N)=O 5101AH [0,1,0,0,0,1|1,0,0]=3 394 B12R1.43 CC(SC1=CC=CC=N1)C(=O)O 0108AE [0,1,0,0,0,1|1,0,0]=3 395 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O W3956 [0,1,0,0,0,1|0,0,0]=2 396 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O 6856AC [0,1,0,0,0,1|1,0,0]=3 397 B12R1.43 N[C@@H](CC1=CN=CC=C1)C(=O)O 4699AB [0,1,0,0,0,1|1,0,0]=3 398 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O X2941 [0,1,0,0,0,1|1,0,0]=3 399 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4343AE [0,1,0,0,0,1|0,0,1]=3 400 B12R1.43 O=C(O)C(O)CC1=CN=CC=C1 4393AH [0,1,0,0,0,1|1,0,0]=3 401 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 R761 [0,1,0,0,0,1|0,0,0]=2 402 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 3611AL [0,1,0,0,0,1|1,0,1]=4 403 B12R1.107 CC(CC(=O)O)C1=CN=CC=C1 3138AF [0,1,0,0,0,1|1,0,0]=3 404 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 V7228 [0,1,0,0,0,1|1,1,0]=4 405 B12R1.107 CN(CC(=O)O)C1=NC=CC=C1 0429AA [0,1,0,0,0,1|1,0,0]=3 406 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 3454AA [0,1,0,0,0,1|0,0,1]=3 407 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,1|1,0,0]=3 408 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1F V4347 [0,1,0,0,0,1|1,0,1]=4 409 B12R1.125 CC1=C(OCC(=O)Cl)C=CC=C1 4865AD [0,1,0,0,0,1|1,0,0]=3 410 B12R1.125 CC1=C(\C=C\C(=O)Cl)C=CC=C1 0318AF [0,1,0,0,0,1|1,0,1]=4 411 B12R1.125 CC1=CC=CC=C1CSC(N)=[NH2+] AMTEC013 [0,1,0,0,0,1|2,0,0]=4 412 B12R1.125 N=C(N)COC1=C(Cl)C=CC=C1 6057AE [0,1,0,0,0,1|2,0,0]=4 413 B12R1.125 NC1=C(\C=C\C(=O)O)C=CC=N1 2200AL [0,1,0,0,0,1|1,0,1]=4 414 B12R1.125 NC1=C(\C=C\C(=O)O)C=NC=C1 2079AC [0,1,0,0,0,1|1,0,1]=4 415 B12R1.125 O=C(Cl)\C=C\C1=C(Cl)C=CC=C1 1154AE [0,1,0,0,0,1|1,0,1]=4 416 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br 0702AF [0,1,0,0,0,1|1,0,1]=4 417 B12R1.125 O=C(O)CCN1C=CC=CC1=O 0599AC [0,1,0,0,0,1|1,0,0]=3 418 B12R1.125 O=C(O)CCN1C=CC=CC1=O 1458AF [0,1,0,0,0,1|1,0,0]=3 419 B12R1.125 O=C(O)CNC1=C(Br)C=CC=C1 5549AB [0,1,0,0,0,1|0,0,0]=2 420 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 8114AC [0,1,0,0,0,1|2,0,0]=4 421 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,1|1,0,0]=3 422 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 Z3568 [0,1,0,0,0,1|0,0,1]=3 423 B12R1.226 N=C(N)NCC1=CC=CC(I)=C1 8064AJ [0,1,0,0,0,1|2,0,0]=4 424 B12R1.226 NC(=O)CCC1=CC(Br)=CC=C1 5635AJ [0,1,0,0,0,1|1,0,0]=3 425 B12R1.226 NC(=[NH2+])SCC1=CC=CC(F)=C1 AMTEC011 [0,1,0,0,0,1|2,0,0]=4 426 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 3449AD [0,1,0,0,0,1|0,0,1]=3 427 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 3923AD [0,1,0,0,0,1|1,0,1]=4 428 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(F)=C1 2333AE [0,1,0,0,0,1|1,0,1]=4 429 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 0483AC [0,1,0,0,0,1|0,0,0]=2 430 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 W6157 [0,1,0,0,0,1|0,0,1]=3 431 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Y6084 [0,1,0,0,0,1|1,0,1]=4 432 B12R1.4 C=C(Br)CC1=CC=C(SC)C=C1 0379AF [0,2,0,0,0,0|2,0,0]=4 433 B12R1.4 C=C(C)CC1=CC=C(OC)C=C1 7091AD [0,2,0,0,0,0|2,0,0]=4 434 B12R1.4 CC(=O)CC1=CC=C(C#N)C=C1 8757AB [0,2,0,0,0,0|1,0,0]=3 435 B12R1.4 CC(=O)OC1=CC=C(CCl)C=C1 X4658 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 7067AA [0,2,0,0,0,0|0,0,0]=2 437 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 2717AL [0,2,0,0,0,0|1,0,0]=3 438 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 3012AB [0,2,0,0,0,0|0,0,0]=2 439 B12R1.4 NNC1=CC=C(CC(=O)O)C=C1 7496AE [0,2,0,0,0,0|0,0,0]=2 440 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [0,2,0,0,0,0|0,0,0]=2 441 B12R1.19 CC(=O)NC1=CC=C(Cl)C(O)=C1 V4906 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [0,2,0,0,0,0|0,0,0]=2 443 B12R1.19 N=C(N)CC1=CC(F)=C(F)C=C1 4424AC [0,2,0,0,0,0|2,0,0]=4 444 B12R1.19 NC1=CC(CC(=O)O)=CC=C1O 2074AE [0,2,0,0,0,0|0,0,0]=2 445 B12R1.20 CC(=O)C(Br)C1=CC=C(O)C=C1 6547AC [0,2,0,0,0,0|1,0,0]=3 446 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 W8302 [0,2,0,0,0,0|0,0,0]=2 447 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 5426AJ [0,2,0,0,0,0|0,0,0]=2 448 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 5933AE [0,2,0,0,0,0|1,0,0]=3 449 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 5090AE [0,2,0,0,0,0|2,0,0]=4 450 B12R1.49 CC1=CC=C(NC(=O)CN)C=C1 5390AE [0,2,0,0,0,0|2,0,0]=4 451 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 0275AE [0,2,0,0,0,0|1,0,0]=3 452 B12R1.49 COC(=O)NC1=NC=C(Br)C=C1 V4263 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 E021 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 C822 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,2,0,0,0,0|1,0,1]=4 456 B12R1.49 O=C(CCl)NC1=CC=C(I)C=C1 8505AD [0,2,0,0,0,0|2,0,0]=4 457 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 8448AE [0,2,0,0,0,0|1,1,0]=4 458 B12R1.49 O=CC(Cl)CC1=CC=C(Cl)C=C1 Y6536 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.106 CC(C)(O)CC1=CC=C(Cl)C=C1 Q321 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.106 NC1=CC=C(OS(=O)(=O)O)C=C1 I723 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.106 O=P(O)(O)CC1=CC=C(Br)C=C1 1129AQ [0,2,0,0,0,0|1,0,0]=3 462 B12R1.233 CC(=O)CC1=CC=C(Cl)C=C1Br 5576AA [0,2,0,0,0,0|1,0,0]=3 463 B12R1.233 NC1=CC(Br)=CN=C1CC(=O)O W9147 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.233 NC1=NC=C(CC(=O)O)C(=O)N1 0747AF [0,2,0,0,0,0|2,0,0]=4 465 B12R1.233 O=C(O)CC1=C(Br)C=C(O)C=C1 5009AH [0,2,0,0,0,0|0,0,0]=2 466 B12R1.233 O=C(O)CC1=NC=C(Cl)C=C1F Z8302 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O 2878AE [0,2,0,0,0,0|2,0,0]=4 468 B12R1.34 CC(C1=CC=CC=C1)C(N)CO HTS033199 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 2957AB [0,2,0,0,0,0|2,0,0]=4 470 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 3740AF [0,2,0,0,0,0|1,0,0]=3 471 B12R1.34 COC(=O)C(N)C1=CC=CC=N1 7750AA [0,2,0,0,0,0|1,0,0]=3 472 B12R1.34 COC(=O)C(N)C1=NC=CC=C1 6943AJ [0,2,0,0,0,0|1,0,0]=3 473 B12R1.124 CC(=O)N(N)C1=CC=CC=C1Br B233 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.124 NC1=C(C(=O)C(=O)O)C=CC=C1 6619AB [0,2,0,0,0,0|0,0,1]=3 475 B12R1.124 NC1=C(C(O)C(=O)[O-])C=CC=C1 5191AB [0,2,0,0,0,0|0,0,1]=3 476 B12R1.124 N[C@H](C(=O)O)C1=C(Br)C=CC=C1 1082AL [0,2,0,0,0,0|0,0,0]=2 477 B12R1.124 O=C(O)C(=O)C1=C(F)C=CC=C1 2424AC [0,2,0,0,0,0|0,0,1]=3 478 B12R1.225 CC(=O)C(=O)C1=CC(Cl)=CC=C1 8231AC [0,2,0,0,0,0|1,0,1]=4 479 B12R1.225 CC(=O)N(C)C1=CC=CC(N)=C1 6750AE [0,2,0,0,0,0|2,0,0]=4 480 B12R1.225 CC(C(=O)O)C1=CC=CC(F)=C1 0039AC [0,2,0,0,0,0|0,0,0]=2 481 B12R1.225 CC1=CC(C(C)C(=O)O)=CC=C1 1119AJ [0,2,0,0,0,0|0,0,0]=2 482 B12R1.225 CC1=CC(C(N)C(=O)O)=CC=C1 6321AD [0,2,0,0,0,0|0,0,0]=2 483 B12R1.225 CC1=CC=CC(C(N)C(=O)O)=C1 5420AJ [0,2,0,0,0,0|0,0,0]=2 484 B12R1.225 O=C(O)C(=O)C1=CC(Cl)=CC=C1 1737AL [0,2,0,0,0,0|0,0,1]=3 485 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 2419AE [0,2,0,0,0,0|0,0,0]=2 486 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 8261AB [0,2,0,0,0,0|0,0,0]=2 487 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Y9290 [0,2,0,0,0,0|0,0,0]=2 488 B12R1.478 CC(=O)C(CO)C1=CC=CC=C1 9433AB [0,2,0,0,0,0|1,0,0]=3 489 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 6032AB [0,2,0,0,0,0|0,0,0]=2 490 B12R1.478 NC[C@H](C(=O)O)C1=CC=CC=C1 0283AA [0,2,0,0,0,0|0,0,0]=2 491 B12R1.32 CCOC(=O)CC1=CC=NC=C1 7856AB [0,2,0,0,0,0|1,0,0]=3 492 B12R1.32 CCOC(=O)CC1=NC=NC=C1 4554AA [0,2,0,0,0,0|2,0,0]=4 493 B12R1.32 CNCC(=O)NC1=CC=CC=C1 W7306 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.32 NCCC(=O)NC1=CC=CC=C1 9531AC [0,2,0,0,0,0|2,0,0]=4 495 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 9279AA [0,2,0,0,0,0|1,0,0]=3 496 B12R1.50 CC1=CC=CC(NC(=O)CN)=C1 1548AD [0,2,0,0,0,0|2,0,0]=4 497 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 7324AD [0,2,0,0,0,0|2,0,0]=4 498 B12R1.50 CNC(=O)OC1=CC(C)=CC=C1 S268 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.50 COC(=O)CC1=NC(Cl)=CC=C1 Y7716 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.50 COC(=O)NC1=NC=CC(Cl)=C1 V8751 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.50 O=C(CBr)NC1=CC(F)=CC=C1 1405AC [0,2,0,0,0,0|2,0,0]=4 502 B12R1.50 O=C(CBr)NC1=CC=CC(Cl)=C1 3025AE [0,2,0,0,0,0|2,0,0]=4 503 B12R1.118 COC(CN)CC1=CC=CC=C1 1715AF [0,2,0,0,0,0|1,0,1]=4 504 B12R1.118 OCC(CO)CC1=CC=CC=C1 3161AH [0,2,0,0,0,0|0,0,2]=4 505 B12R1.371 CC1=C(CC(N)CO)C=CC=C1 1475AJ [0,2,0,0,0,0|1,0,1]=4 506 B12R1.371 CC1=C(NC(=O)CBr)C=CC=C1 7569AB [0,2,0,0,0,0|2,0,0]=4 507 B12R1.371 CC1=CC=CC=C1NC(=O)CN 8084AC [0,2,0,0,0,0|2,0,0]=4 508 B12R1.371 CCC(=O)NC1=CC=CC=C1O 8315AE [0,2,0,0,0,0|2,0,0]=4 509 B12R1.371 COC(=O)CC1=CC=CC=C1N 4195AJ [0,2,0,0,0,0|0,0,0]=2 510 B12R1.371 NNC(=O)NC1=CC=CC=C1Cl 1456AE [0,2,0,0,0,0|2,0,0]=4 511 B12R1.371 O=CC(Cl)CC1=CC=CC=C1Cl Y6122 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.75 C=C(C)CC1=C(OC)C=CC=C1 3235AF [0,2,0,0,0,0|2,0,0]=4 513 B12R1.75 CC(=O)NC1=C(CO)C=CC=C1 5403AJ [0,2,0,0,0,0|2,0,0]=4 514 B12R1.75 CC(=O)NC1=CC=CC=C1C#N 3623AL [0,2,0,0,0,0|2,0,0]=4 515 B12R1.75 CC(=O)NC1=CC=CC=C1C=O 6256AA [0,2,0,0,0,0|2,0,0]=4 516 B12R1.75 CC(=O)OC1=C(C#N)C=CC=C1 5483AL [0,2,0,0,0,0|2,0,0]=4 517 B12R1.75 COC1=C(CC(N)=O)C=CC=C1 3093AH [0,2,0,0,0,0|1,0,0]=3 518 B12R1.127 CC(=O)CC1=CC(Cl)=CN=C1Cl V2709 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 3616AL [0,2,0,0,0,0|2,0,0]=4 520 B12R1.127 CC(=O)NC1=C(C)C=CC(Cl)=C1 8771AB [0,2,0,0,0,0|2,0,0]=4 521 B12R1.127 CC(=O)NC1=C(F)C=CC(N)=C1 9177AE [0,2,0,0,0,0|2,0,0]=4 522 B12R1.127 CC(=O)NC1=CC(N)=CC=C1Cl 5977AE [0,2,0,0,0,0|2,0,0]=4 523 B12R1.127 CC(=O)OC1=CC(C)=CC=C1C 1388AF [0,2,0,0,0,0|2,0,0]=4 524 B12R1.127 CC1=NN(CC(=O)O)C(=O)C=C1 2885AE [0,2,0,0,0,0|2,0,0]=4 525 B12R1.127 O=C(O)CC1=CC(=O)NNC1=O 3681AA [0,2,0,0,0,0|2,0,0]=4 526 B12R1.127 O=C(O)CN1N=C(Cl)C=CC1=O 8637AH [0,2,0,0,0,0|2,0,0]=4 527 B12R1.224 CC(=O)NC1=C(C)C(F)=CC=C1 0179AE [0,2,0,0,0,0|2,0,0]=4 528 B12R1.224 CC(=O)NC1=C(C)C(N)=CC=C1 7571AE [0,2,0,0,0,0|2,0,0]=4 529 B12R1.224 NC1=CC=CN(CC(=O)O)C1=O 3109AB [0,2,0,0,0,0|1,0,0]=3 530 B12R1.1009 CC(=O)NC1=C(F)C=CC=C1Cl 0957AE [0,2,0,0,0,0|2,0,0]=4 531 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl 5805AD [0,2,0,0,0,0|2,0,0]=4 532 B12R1.1009 NC1=CC=CC(F)=C1CC(=O)O 1714AL [0,2,0,0,0,0|0,0,0]=2 533 B12R1.101 CC(=O)NC1=CC(Br)=CC(Br)=C1 Z8089 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.101 O=C(O)CC1=CC(O)=CC(O)=C1 U607 [0,2,0,0,0,0|0,0,0]=2 535 B12R1.119 NC1=CC=CC(CS(N)(=O)=O)=C1 0980AE [0,2,0,0,0,0|1,0,1]=4 536 B12R1.438 CC(=O)CC1=CC=CC(C#N)=C1 3203AH [0,2,0,0,0,0|1,0,0]=3 537 B12R1.438 CC(=O)NC1=CC=CC(C=O)=C1 KMA0135 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.438 CC(=O)NC1=CC=CC(CN)=C1 7206AJ [0,2,0,0,0,0|2,0,0]=4 539 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 1110AJ [0,2,0,0,0,0|2,0,0]=4 540 B12R1.438 COC1=CC=CC(CC(=N)N)=C1 7392AE [0,2,0,0,0,0|2,0,0]=4 541 B12R1.438 COC1=NC(CC(=O)O)=CC=C1 5243AJ [0,2,0,0,0,0|1,0,0]=3 542 B12R1.438 NCC1=CC=CC(CC(=O)O)=C1 1727AL [0,2,0,0,0,0|0,0,0]=2 543 B12R1.438 O=C(O)CC1=CC(CCl)=CC=C1 4272AH [0,2,0,0,0,0|0,0,0]=2 544 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,1,1,0,0|1,0,1]=4 545 B10R1.66 O=C(O)CNC1=CSC=C1 Z5612 [0,0,1,1,0,0|2,0,0]=4 546 B10R2.7 C1=CC2=C(C=C1)CSC2 1903AB [1,0,0,1,0,0|2,0,0]=4 547 B10R2.7 C1=CC2=C(C=C1)ON=C2 1484AL [1,0,0,1,0,0|1,0,1]=4 548 B10R2.7 C1=CC=C2NC=CC2=C1 J70045 [1,0,0,1,0,0|1,0,1]=4 549 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,1|1,0,0]=3 550 B12R2.24 CC1CNC2=CC=CC=C2O1 V6799 [0,0,0,1,0,1|1,0,1]=4 551 B12R2.24 O=C1C=C2C=CC=CC2=NN1 3472AB [0,0,0,1,0,1|2,0,0]=4 552 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|1,0,0]=3 553 B12R2.24 O=C1CCC2=C(N=CC=C2)N1 5286AB [0,0,0,1,0,1|2,0,0]=4 554 B12R2.24 O=C1CNC2=C(C=CC=C2)O1 A392 [0,0,0,1,0,1|0,0,0]=2 555 B12R2.24 O=C1COC2=CC=NC=C2N1 Z6517 [0,0,0,1,0,1|2,0,0]=4 556 B12R2.24 O=C1CSC2=CC=CC=C2C1 4666AJ [0,0,0,1,0,1|1,0,0]=3 557 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 2076AJ [0,0,0,1,0,1|1,0,0]=3 558 B12R2.24 OC1=NC=C2C=CC=CC2=N1 W8233 [0,0,0,1,0,1|1,0,1]=4 559 B12R2.24 OC1CNC2=CC=CC=C2C1 3033AH [0,0,0,1,0,1|1,0,1]=4 560 B12R2.24 OC1COC2=C(C=CC=C2)O1 5942AE [0,0,0,1,0,1|0,0,2]=4 561 B12R2.24 SC1=NC2=CC=CC=C2CS1 V6175 [0,0,0,1,0,1|1,1,0]=4 562 B12R2.2057 C1=CC=C(OC[C@H]2CO2)C=C1 P609 [0,0,0,1,0,1|1,0,1]=4 563 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 8094AD [0,1,0,1,0,0|1,0,1]=4 564 B12R2.606 CC1=CC2=CC=C(O)C=C2O1 7905AB [0,1,0,1,0,0|1,0,1]=4 565 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 7799AD [0,1,0,1,0,0|1,0,0]=3 566 B12R2.606 CC1=CC=C2OC(Cl)=NC2=C1 Y8920 [0,1,0,1,0,0|2,0,0]=4 567 B12R2.606 FC1=CC2=C(C=C1)NC(=S)O2 Y2874 [0,1,0,1,0,0|1,1,0]=4 568 B12R2.606 FC1=CC=C2OC(Cl)=NC2=C1 6353AA [0,1,0,1,0,0|2,0,0]=4 569 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 3319AH [0,1,0,1,0,0|2,0,0]=4 570 B12R2.606 NC1=NC2=C(C=C(Cl)C=C2)O1 1748AA [0,1,0,1,0,0|2,0,0]=4 571 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 3455AA [0,1,0,1,0,0|2,0,0]=4 572 B12R2.606 O=C1CC2=C(C=C(Cl)C=N2)N1 6528AA [0,1,0,1,0,0|2,0,0]=4 573 B12R2.606 O=C1CC2=C(C=CC(O)=C2)N1 V2187 [0,1,0,1,0,0|1,0,0]=3 574 B12R2.606 O=C1CC2=C(C=NC(Br)=C2)N1 3955AA [0,1,0,1,0,0|2,0,0]=4 575 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 X9350 [0,1,0,1,0,0|2,0,0]=4 576 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 Z3954 [0,1,0,1,0,0|2,0,0]=4 577 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 V2411 [0,1,0,1,0,0|2,0,0]=4 578 B12R2.606 O=C1CC2=CC=C(Cl)N=C2N1 X6129 [0,1,0,1,0,0|2,0,0]=4 579 B12R2.606 O=C1CC2=CC=C(O)C=C2O1 W1997 [0,1,0,1,0,0|0,0,0]=2 580 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 0047AA [0,1,0,1,0,0|2,0,0]=4 581 B12R2.606 O=C1CC2=NC(Cl)=CC=C2N1 X9963 [0,1,0,1,0,0|2,0,0]=4 582 B12R2.606 O=C1NC2=C(C=C(I)C=C2)O1 6712AD [0,1,0,1,0,0|1,0,0]=3 583 B12R2.606 O=C1NC2=C(C=C(O)C=C2)O1 5997AH [0,1,0,1,0,0|1,0,0]=3 584 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 2094AC [0,1,0,1,0,0|1,0,0]=3 585 B12R2.606 S=C1CC2=CC=C(Br)C=C2N1 3437AJ [0,1,0,1,0,0|1,1,0]=4 586 B12R2.606 S=C1NC2=CC=C(Br)C=C2O1 W4787 [0,1,0,1,0,0|1,1,0]=4 587 B12R2.18 CN1C(=O)SC2=C1C=CC=C2 2448AL [0,1,0,1,0,0|1,1,0]=4 588 B12R2.18 NC1C(=O)NC2=CC=CC=C21 9792AC [0,1,0,1,0,0|1,0,0]=3 589 B12R2.18 NC1CC2=C(C=CC=C2)C1=O W7922 [0,1,0,1,0,0|1,0,1]=4 590 B12R2.18 NC1CC2=CC=CC=C2C1O 7525AA [0,1,0,1,0,0|1,0,1]=4 591 B12R2.18 N[C@@H]1C2=CC=CC=C2C[C@@H]1O 6832AA [0,1,0,1,0,0|1,0,1]=4 592 B12R2.27 OCC1CC1C2=CC=CC=C2 9271AB [0,1,0,1,0,0|1,0,1]=4 593 B12R2.27 OC[C@H]1O[C@@H]1C2=CC=CC=C2 7395AJ [0,1,0,1,0,0|0,0,2]=4 594 B12R2.32 CCC1=CC2=C(C=CC=C2)C1 8751AA [0,1,0,1,0,0|2,0,0]=4 595 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 6658AD [0,1,0,1,0,0|2,0,0]=4 596 B12R2.32 N#CC1=NC2=CC=CC=C2O1 1502AL [0,1,0,1,0,0|2,0,0]=4 597 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6791 [0,1,0,1,0,0|2,0,0]=4 598 B12R2.32 NCC1=NC2=CC=CC=C2O1 Y6959 [0,1,0,1,0,0|2,0,0]=4 599 B12R2.32 NCC1CC2=C(C=CC=C2)O1 0279AB [0,1,0,1,0,0|1,0,1]=4 600 B12R2.32 O=CC1=CC2=C(C=CC=C2)N1 Y8104 [0,1,0,1,0,0|1,0,1]=4 601 B12R2.32 O=CC1=NC2=CC=CC=C2O1 9461AB [0,1,0,1,0,0|1,0,0]=3 602 B12R2.32 O=CC1CC2=CC=CC=C2C1 1349AJ [0,1,0,1,0,0|1,0,1]=4 603 B12R2.32 OCC1=CC2=C(C=CC=C2)O1 1571AL [0,1,0,1,0,0|0,0,2]=4 604 B12R2.32 OCC1CC2=CC=CC=C2C1 7876AB [0,1,0,1,0,0|1,0,1]=4 605 B12R2.32 OCC1CC2=CC=CC=C2N1 1350AJ [0,1,0,1,0,0|1,0,1]=4 606 B12R2.202 CC1=C2NC(=O)CC2=NC=C1 W6992 [0,1,0,1,0,0|2,0,0]=4 607 B12R2.202 CC1=CC2=C(O1)C(N)=CC=C2 8731AD [0,1,0,1,0,0|1,0,1]=4 608 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 Z4089 [0,1,0,1,0,0|1,0,0]=3 609 B12R2.202 CC1=NC2=C(Br)C=CC=C2O1 V4387 [0,1,0,1,0,0|2,0,0]=4 610 B12R2.202 CC1=NC2=C(C)C=CC=C2O1 5342AJ [0,1,0,1,0,0|2,0,0]=4 611 B12R2.202 NC1=CC=CC2=C1CC(=O)N2 X4702 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.202 NC1=CC=CC2=C1NC(=O)N2 2704AA [0,1,0,1,0,0|2,0,0]=4 613 B12R2.202 O=C1CC2=C(Br)C=NC=C2N1 3230AA [0,1,0,1,0,0|2,0,0]=4 614 B12R2.202 O=C1CC2=C(C1)C(Br)=CC=C2 3012AC [0,1,0,1,0,0|1,0,0]=3 615 B12R2.202 O=C1CC2=C(C1)C(Cl)=CC=C2 Z5087 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.202 O=C1CC2=C(C=CC=C2O)N1 Y7437 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.202 O=C1CC2=C(F)C=CN=C2N1 X6198 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.202 O=C1NC2=C(Cl)C=CC=C2S1 S778 [0,1,0,1,0,0|1,1,0]=4 619 B12R2.202 O=C1NC2=C(O1)C(Br)=CC=C2 3760AC [0,1,0,1,0,0|1,0,0]=3 620 B12R2.202 O=C1NC2=C(S1)C(Br)=CC=C2 3145AA [0,1,0,1,0,0|1,1,0]=4 621 B12R2.202 OC1CC2=CC=CC(Br)=C2C1 6113AJ [0,1,0,1,0,0|1,0,1]=4 622 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 9741AJ [0,0,0,2,0,0|1,0,1]=4 623 B8R1.8 OCCC1=CSC=C1 J11110 [1,0,0,0,1,0|1,0,1]=4 624 B8R1.7 CC(=O)C1=COC=C1 7011AA [0,0,0,0,2,0|2,0,0]=4 625 B8R1.7 NC(=O)C1=CNC=C1 1113AC [0,0,0,0,2,0|2,0,0]=4 626 B8R1.7 NC(=O)C1=CSC=C1 4677AE [0,0,0,0,2,0|2,0,0]=4 627 B8R1.7 O=C(O)C1=CON=C1 V2366 [0,0,0,0,2,0|2,0,0]=4 628 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,2,0|2,0,0]=4 629 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,0,2,0|2,0,0]=4 630 B12R1.252 O=C(O)CCCC1=CC=NC=C1 7697AC [0,0,0,0,0,2|1,0,0]=3 631 B12R1.252 O=C(O)CCCC1=CC=NC=C1 8657AE [0,0,0,0,0,2|1,0,0]=3 632 B12R1.252 O=C(O)CNCC1=NC=CC=C1 Z2473 [0,0,0,0,0,2|1,0,0]=3 633 B12R1.252 OB(O)\C=C\CC1=CC=CC=C1 Z9474 [0,0,0,0,0,2|1,0,1]=4