0 B10R1.15 C#CC(O)C1=CC=NC=C1 1743AA [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [0,0,0,0,0,0|2,0,0]=2 3 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [0,0,0,0,0,0|3,0,0]=3 6 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [0,0,0,0,0,0|2,0,1]=3 7 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [0,0,0,0,0,0|2,0,1]=3 8 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [0,0,0,0,0,0|2,0,1]=3 9 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [0,0,0,0,0,0|2,0,0]=2 11 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [0,0,0,0,0,0|1,0,0]=1 12 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [1,0,0,0,0,0|1,0,2]=4 14 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.6 CC(Cl)C1=NC=CC=C1 Z2355 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.6 CC(N)C1=CN=NC=C1 0280AA [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 CC(N)C1=NC=CC=N1 6203AC [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.6 CC(O)C1=CN=CN=C1 9546AH [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|1,0,2]=4 24 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|1,0,2]=4 28 B9R1.8 NCCC1=CN=CN=C1 3332AC [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 NCCC1=NC=CC=N1 4806AC [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 NCCC1=NC=NC=C1 1885AJ [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 NCCC1=NC=NC=C1 1886AJ [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,0,0,0,0,0|3,0,0]=4 34 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 OCCC1=NC=CC=N1 1887AJ [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 OCCC1=NC=NC=C1 0497AC [1,0,0,0,0,0|3,0,0]=4 38 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|2,0,1]=4 39 B11R1.7 CC(C)(C#N)C1=NC=CC=C1 0017AF [0,1,0,0,0,0|1,0,2]=4 40 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Y6483 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.7 CCC(F)(F)C1=CC=CC=C1 9060AE [0,1,0,0,0,0|2,0,0]=3 42 B11R1.12 C=CC(OC)C1=CC=CC=C1 1389AB [0,1,0,0,0,0|1,0,1]=3 43 B11R1.12 CCC(CC)C1=CC=CC=C1 3981AL [0,1,0,0,0,0|1,0,0]=2 44 B11R1.12 CCP(CC)C1=CC=CC=C1 8571AJ [0,1,0,0,0,0|2,0,0]=3 45 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 3045AC [0,1,0,0,0,0|1,0,0]=2 46 B11R1.16 C#CCC(O)C1=CN=CC=C1 9542AH [0,1,0,0,0,0|3,0,0]=4 47 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,1,0,0,0,0|2,0,0]=3 48 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [0,1,0,0,0,0|2,0,0]=3 49 B11R1.16 C=CC[C@@H](N)C1=NC=CC=C1 1031AL [0,1,0,0,0,0|3,0,0]=4 50 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [0,1,0,0,0,0|3,0,0]=4 51 B11R1.16 CN(CCO)C1=NC=CC=C1 0419AD [0,1,0,0,0,0|3,0,0]=4 52 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [0,1,0,0,0,0|2,0,0]=3 53 B11R1.16 O=C(CCBr)C1=CC=CC=C1 Y1959 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.22 CC(CN)C1=CC=C(Cl)C=C1 1725AC [0,1,0,0,0,0|0,0,0]=1 55 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,0,0|2,0,0]=3 56 B11R1.22 CN(C=O)C1=CC=C(Cl)C=C1 6455AL [0,1,0,0,0,0|2,0,1]=4 57 B11R1.22 NC(CO)C1=CC=C(F)C=N1 1539AA [0,1,0,0,0,0|3,0,0]=4 58 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [0,1,0,0,0,0|2,0,1]=4 59 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.23 CC[C@@H](N)C1=CC=CC(Cl)=C1 X9178 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.23 OCC(Cl)C1=CC=CC(Cl)=C1 2029AL [0,1,0,0,0,0|2,0,0]=3 62 B11R1.36 CC(C)C(C)C1=CC=CC=C1 3972AL [0,1,0,0,0,0|1,0,0]=2 63 B11R1.36 CC(C)[C@@H](N)C1=NC=CC=C1 8355AH [0,1,0,0,0,0|3,0,0]=4 64 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 8402AH [0,1,0,0,0,0|3,0,0]=4 66 B11R1.36 CC(C1=CC=CC=C1)C(F)F 8474AB [0,1,0,0,0,0|1,0,0]=2 67 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 8039AF [0,1,0,0,0,0|2,0,1]=4 68 B11R1.222 CC[C@@H](N)C1=CC=CC=C1Cl 3808AA [0,1,0,0,0,0|2,0,0]=3 69 B11R1.222 NC1=CC=CC=C1C(=O)CCl 3303AL [0,1,0,0,0,0|2,0,1]=4 70 B11R1.222 NCC(=O)C1=CC=CC=C1F L160 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 1575AB [0,1,0,0,0,0|1,0,0]=2 72 B11R1.222 NCC(O)C1=C(Cl)C=CC=C1 5504AB [0,1,0,0,0,0|1,0,0]=2 73 B11R1.222 NCC(O)C1=CC=CC=C1I 0299AA [0,1,0,0,0,0|1,0,0]=2 74 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 4897AJ [0,1,0,0,0,0|2,0,1]=4 75 B11R2.1 CC1=CNC2=C1C=CN=C2 2331AJ [0,0,0,1,0,0|1,0,2]=4 76 B11R2.1 CC1=CNC2=C1C=NC=C2 1454AB [0,0,0,1,0,0|1,0,2]=4 77 B11R2.1 CC1=CNC2=CC=CN=C12 2332AJ [0,0,0,1,0,0|1,0,2]=4 78 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,0]=3 79 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,0,0,1,0,0|3,0,0]=4 80 B11R2.1 NC1CCC2=NC=CC=C21 7640AB [0,0,0,1,0,0|3,0,0]=4 81 B11R2.1 OC1CCC2=C1C=CC=N2 1442AA [0,0,0,1,0,0|3,0,0]=4 82 B11R2.1 OC1COC2=CN=CC=C21 2285AJ [0,0,0,1,0,0|3,0,0]=4 83 B11R2.1 OC1OCC2=C1C=CC=C2 8920AB [0,0,0,1,0,0|3,0,0]=4 84 B11R2.40 BrC1(C2=CC=CC=N2)CC1 1001AJ [0,0,0,1,0,0|3,0,0]=4 85 B11R2.40 NC1(C2=CC=CC=N2)CC1 3916AA [0,0,0,1,0,0|3,0,0]=4 86 B11R2.40 NC1(C2=CC=CC=N2)CC1 6905AB [0,0,0,1,0,0|3,0,0]=4 87 B11R2.40 NC1(C2=CC=NC=C2)CC1 9544AH [0,0,0,1,0,0|3,0,0]=4 88 B11R2.239 C1=CC=C(C2CNC2)C=C1 2383AJ [0,0,0,1,0,0|0,0,0]=1 89 B11R2.239 C1=CC=C(C2CNC2)C=C1 6027AB [0,0,0,1,0,0|0,0,0]=1 90 B11R2.239 C1=CC=C(C2COC2)C=C1 0754AA [0,0,0,1,0,0|1,0,0]=2 91 B11R2.988 N#CC1CC2=C1C=CC=C2 8027AE [0,0,0,1,0,0|0,0,2]=3 92 B11R2.988 O=CC1CC2=CC=CC=C21 9778AE [0,0,0,1,0,0|1,0,1]=3 93 B9R1.11 CC(CN)N1C=NC=N1 1307AF [0,0,0,0,1,0|3,0,0]=4 94 B9R1.11 CNC(C)C1=CC=CO1 0219AD [0,0,0,0,1,0|3,0,0]=4 95 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,0,0,0,0,1|2,0,1]=4 96 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,0,0,0,0,1|2,0,1]=4 97 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.2 NCC1=CN=CN=C1 W4845 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 NCC1=NC=CC=N1 4855AH [2,0,0,0,0,0|2,0,0]=4 100 B8R1.2 NCC1=NC=CN=C1 9838AJ [2,0,0,0,0,0|2,0,0]=4 101 B8R1.2 NNC1=CC=CN=C1 Z1664 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.13 CC(C)C1=CC=C(Br)N=N1 2209AJ [1,1,0,0,0,0|2,0,0]=4 105 B10R1.13 CC(C)C1=CC=C(N)N=N1 8370AB [1,1,0,0,0,0|2,0,0]=4 106 B10R1.13 CC(C)C1=CN=C(N)N=C1 6893AC [1,1,0,0,0,0|2,0,0]=4 107 B10R1.13 CC(N)C1=NC=C(F)C=N1 9500AH [1,1,0,0,0,0|2,0,0]=4 108 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [1,1,0,0,0,0|1,0,0]=3 110 B10R1.13 CC1=NC=C(C(C)N)C=N1 1500AA [1,1,0,0,0,0|2,0,0]=4 111 B10R1.13 CN(C)C1=NC=C(N)C=C1 W5002 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [1,1,0,0,0,0|0,0,0]=2 113 B10R1.13 C[C@@H](N)C1=NC=C(F)C=N1 8932AH [1,1,0,0,0,0|2,0,0]=4 114 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y6478 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 5884AC [1,1,0,0,0,0|2,0,0]=4 117 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 8397AH [1,1,0,0,0,0|2,0,0]=4 118 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.61 NC1=CC=CC=C1C(F)F 0350AC [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [1,1,0,0,0,0|0,0,0]=2 123 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [1,1,0,0,0,0|0,0,0]=2 124 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [1,1,0,0,0,0|0,0,0]=2 126 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [1,1,0,0,0,0|1,0,1]=4 127 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [1,1,0,0,0,0|1,0,1]=4 128 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [1,1,0,0,0,0|1,0,0]=3 130 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [1,1,0,0,0,0|1,0,0]=3 131 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,1]=4 132 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,1,0,0,0,0|1,0,1]=4 133 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,1,0,0,0,0|1,0,1]=4 134 B10R1.4 ClCOC1=C(Cl)C=CC=C1 8609AB [1,1,0,0,0,0|2,0,0]=4 135 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,1,0,0,0,0|2,0,0]=4 136 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [1,1,0,0,0,0|1,0,0]=3 137 B10R1.4 NCCN1C=CC=CC1=O Y8846 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|1,0,0]=3 139 B10R1.4 O=C1C=CC=CN1CCCl 7140AB [1,1,0,0,0,0|2,0,0]=4 140 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,1,0,0,0,0|1,0,1]=4 142 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [1,1,0,0,0,0|1,0,1]=4 143 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|1,0,1]=4 144 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [1,1,0,0,0,0|1,0,1]=4 145 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [1,1,0,0,0,0|2,0,0]=4 147 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|1,0,0]=3 148 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [1,1,0,0,0,0|2,0,0]=4 149 B10R1.10 CCCC1=NC=CC(Cl)=C1 2766AJ [1,1,0,0,0,0|2,0,0]=4 150 B10R1.10 CCCC1=NC=CC(Cl)=C1 Z2848 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [1,1,0,0,0,0|0,0,2]=4 152 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [1,1,0,0,0,0|1,0,0]=3 153 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [1,1,0,0,0,0|1,0,0]=3 154 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [1,1,0,0,0,0|1,0,0]=3 156 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [1,1,0,0,0,0|1,0,1]=4 157 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [1,1,0,0,0,0|1,0,1]=4 158 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [1,1,0,0,0,0|2,0,0]=4 160 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [1,1,0,0,0,0|1,0,1]=4 161 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,1,0,0,0,0|2,0,0]=4 162 B10R1.17 NCCNC1=CN=CC=N1 6077AB [1,1,0,0,0,0|2,0,0]=4 163 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [1,1,0,0,0,0|0,0,1]=3 164 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,1,0,0,0,0|2,0,0]=4 165 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [1,1,0,0,0,0|1,0,1]=4 166 B10R1.11 CC(CCN)N1C=CN=C1 3663AF [0,1,0,0,1,0|2,0,0]=4 167 B12R1.32 CN(CC#N)CC1=CC=CC=C1 1817AL [0,1,0,0,0,1|1,0,1]=4 168 B12R1.32 NCCC(=O)NC1=CC=CC=C1 2153AJ [0,1,0,0,0,1|1,0,1]=4 169 B12R1.49 CC1=CC=C(OC(C)CN)C=C1 7330AE [0,1,0,0,0,1|0,0,0]=2 170 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [0,1,0,0,0,1|2,0,0]=4 171 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [0,1,0,0,0,1|2,0,0]=4 172 B12R1.10 CC(N)(CO)C1=CC(Br)=CC=C1 0053AD [0,2,0,0,0,0|1,0,0]=3 173 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 2339AJ [0,2,0,0,0,0|0,0,0]=2 174 B12R1.195 CC(C)(CBr)C1=C(Cl)C=CC=C1 9397AH [0,2,0,0,0,0|1,0,0]=3 175 B12R1.475 C#CC(O)(CC)C1=CC=CC=C1 2475AL [0,2,0,0,0,0|1,0,1]=4 176 B12R1.475 CC(CO)(CO)C1=CC=CC=C1 1789AJ [0,2,0,0,0,0|1,0,0]=3 177 B12R1.3 N#CC(CCCl)C1=CC=CC=C1 5783AC [0,2,0,0,0,0|0,0,2]=4 178 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 W7845 [0,2,0,0,0,0|0,0,0]=2 179 B12R1.13 CCN(CC)C1=CC=CC(C)=C1 8436AL [0,2,0,0,0,0|2,0,0]=4 180 B12R1.13 COC(OC)C1=CC(N)=CC=C1 X3982 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.478 CN(C)C(CN)C1=CN=CC=C1 4474AH [0,2,0,0,0,0|1,0,0]=3 182 B12R1.478 NC(=O)C(CO)C1=CC=CC=C1 9779AF [0,2,0,0,0,0|0,0,1]=3 183 B12R1.478 NC[C@@H](C(=O)O)C1=CC=CC=C1 1587AA [0,2,0,0,0,0|0,0,1]=3 184 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 1299AL [0,2,0,0,0,0|2,0,0]=4 185 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 W5405 [0,2,0,0,0,0|2,0,0]=4 186 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 2346AL [0,2,0,0,0,0|2,0,0]=4 187 B12R1.17 NC(CCO)C1=CC(O)=CC=C1 2221AL [0,2,0,0,0,0|2,0,0]=4 188 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 W7846 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 1858AE [0,2,0,0,0,0|2,0,0]=4 190 B12R1.107 CC(CC(=O)O)C1=NC=CC=C1 3137AF [0,2,0,0,0,0|2,0,0]=4 191 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 8862AJ [0,2,0,0,0,0|1,0,0]=3 192 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z5791 [0,2,0,0,0,0|2,0,0]=4 193 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,2,0,0,0,0|1,0,1]=4 194 B12R1.308 N[C@@H](CCO)C1=CC=CC=C1Cl 1292AL [0,2,0,0,0,0|2,0,0]=4 195 B12R1.5 CC[C@@H](N)C1=CC=C(OC)C=C1 W5875 [0,2,0,0,0,0|2,0,0]=4 196 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 L175 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [0,2,0,0,0,0|1,0,1]=4 198 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 3802AA [0,2,0,0,0,0|2,0,0]=4 199 B12R1.367 CC[C@@H](N)C1=CC(F)=C(F)C=C1 0504AF [0,2,0,0,0,0|2,0,0]=4 200 B12R1.367 CC[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 9072AE [0,2,0,0,0,0|2,0,0]=4 201 B12R1.1703 CC[C@@H](N)C1=CC=C(F)C=C1F 4783AA [0,2,0,0,0,0|2,0,0]=4 202 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 8975AH [0,2,0,0,0,0|1,0,1]=4 203 B12R1.354 CCC(N)C1=CC(Cl)=CC=C1Br 5306AA [0,2,0,0,0,0|2,0,0]=4 204 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 5055AH [0,2,0,0,0,0|1,0,0]=3 205 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 W7434 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 W7433 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC W8966 [0,2,0,0,0,0|2,0,0]=4 208 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [1,0,0,1,0,0|1,0,0]=3 209 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [1,0,0,1,0,0|2,0,0]=4 210 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [1,0,0,1,0,0|1,0,0]=3 211 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [1,0,0,1,0,0|2,0,0]=4 212 B12R2.18 NC1CC2=CC=CC=C2C1O 3933AD [0,0,0,1,0,1|2,0,0]=4 213 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N 1058AB [0,0,0,1,0,1|1,0,0]=3 214 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,0,0,1,0,1|0,0,0]=2 215 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [0,0,0,1,0,1|2,0,0]=4 216 B12R2.24 NC1CSC2=C(C=CC=C2)C1 4667AJ [0,0,0,1,0,1|2,0,0]=4 217 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 9211AH [0,0,0,1,0,1|2,0,0]=4 218 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 8788AB [0,0,0,1,0,1|2,0,0]=4 219 B12R2.27 C#CC1CC1C2=CC=CC=C2 5287AC [0,0,0,1,0,1|1,0,1]=4 220 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [0,0,0,1,0,1|1,0,1]=4 221 B12R2.32 CNC1CC2=CC=CC=C2C1 8229AD [0,0,0,1,0,1|2,0,0]=4 222 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1347AJ [0,0,0,1,0,1|0,0,0]=2 223 B12R2.32 NCC1OC2=C(C=CC=C2)O1 5246AJ [0,0,0,1,0,1|1,0,0]=3 224 B12R2.2058 C1=CC(OC2CNC2)=CN=C1 2249AL [0,0,0,1,0,1|1,0,0]=3 225 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 2376AJ [0,0,0,1,0,1|0,0,0]=2 226 B12R2.48 NCC1(C2=CC=CC=C2)CC1 V9281 [0,1,0,1,0,0|0,0,0]=2 227 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [0,1,0,1,0,0|1,0,0]=3 228 B12R2.1 COC1=NNC2=CC=CC=C21 9664AA [0,1,0,1,0,0|1,0,1]=4 229 B12R2.1 NCC1CNC2=C1C=CC=C2 5681AJ [0,1,0,1,0,0|0,0,0]=2 230 B12R2.1 NCC1COC2=CN=CC=C21 8449AH [0,1,0,1,0,0|1,0,0]=3 231 B12R2.1 OCC1COC2=C1C=CC=C2 1051AL [0,1,0,1,0,0|1,0,0]=3 232 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [0,1,0,1,0,0|1,0,0]=3 233 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [0,1,0,1,0,0|1,0,0]=3 234 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [0,1,0,1,0,0|1,0,0]=3 235 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.2 C1=CN=C([C@H]2CCCN2)C=C1 8960AH [0,1,0,1,0,0|2,0,0]=4 237 B12R2.1081 CC1CNCC2=C1C=CC=C2 8753AC [0,1,0,1,0,0|0,0,0]=2 238 B12R2.1081 NC1CSCC2=CC=CC=C21 X9564 [0,1,0,1,0,0|2,0,0]=4 239 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [0,1,0,1,0,0|1,0,1]=4 240 B12R2.1081 OC1CCNC2=CC=CC=C21 1767AB [0,1,0,1,0,0|1,0,0]=3 241 B12R2.1081 OC1CNCC2=C1C=CC=C2 9573AH [0,1,0,1,0,0|1,0,0]=3 242 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,1,0,1,0,0|1,0,1]=4 243 B12R2.2028 OC1CC(O)C2=C1C=CC=C2 6524AE [0,1,0,1,0,0|2,0,0]=4 244 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W6276 [0,1,0,1,0,0|2,0,0]=4 245 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 9257AH [0,1,0,1,0,0|2,0,0]=4 246 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 1156AJ [0,1,0,1,0,0|0,0,0]=2 247 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 5076AC [0,1,0,1,0,0|0,0,0]=2 248 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 1164AJ [0,1,0,1,0,0|0,0,0]=2 249 B12R2.79 NC1CC1C2=CC=C(F)C=C2 1174AJ [0,1,0,1,0,0|0,0,0]=2 250 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 8367AH [0,1,0,1,0,0|0,0,0]=2 251 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 8409AH [0,1,0,1,0,0|0,0,0]=2 252 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 6903AB [0,1,0,1,0,0|2,0,0]=4 253 B12R2.290 NC1=CC=C(C2(N)CC2)C=C1 2414AJ [0,1,0,1,0,0|2,0,0]=4 254 B12R2.612 CC1=CNC2=CC(O)=CC=C12 2446AL [0,1,0,1,0,0|0,0,2]=4 255 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3927AB [0,1,0,1,0,0|2,0,0]=4 256 B12R2.612 NC1CCC2=C1C=CC(F)=C2 7424AA [0,1,0,1,0,0|2,0,0]=4 257 B12R2.612 NC1CCC2=CC(Cl)=CC=C21 3177AJ [0,1,0,1,0,0|2,0,0]=4 258 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [0,1,0,1,0,0|2,0,0]=4 259 B12R2.612 NC1COC2=CC(Cl)=CC=C21 3496AJ [0,1,0,1,0,0|2,0,0]=4 260 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 X8974 [0,1,0,1,0,0|2,0,0]=4 261 B12R2.612 N[C@H]1COC2=CC(Cl)=CC=C21 8672AH [0,1,0,1,0,0|2,0,0]=4 262 B12R2.612 OC1=CC2=C(C=C1)C(O)CC2 4876AB [0,1,0,1,0,0|2,0,0]=4 263 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 2229AL [0,1,0,1,0,0|0,0,0]=2 264 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 2234AL [0,1,0,1,0,0|0,0,0]=2 265 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,1,0,0|2,0,0]=4 266 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 Y1633 [0,1,0,1,0,0|0,0,2]=4 267 B12R2.132 CC1=NNC2=C1C=C(O)C=C2 Z5313 [0,1,0,1,0,0|1,0,1]=4 268 B12R2.132 NC1=CC=C2CCC(O)C2=C1 3419AJ [0,1,0,1,0,0|2,0,0]=4 269 B12R2.132 NC1CCC2=CC=C(Br)C=C21 3445AJ [0,1,0,1,0,0|2,0,0]=4 270 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3497AJ [0,1,0,1,0,0|2,0,0]=4 271 B12R2.132 NC1COC2=CC=C(Br)C=C21 3113AJ [0,1,0,1,0,0|2,0,0]=4 272 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [0,1,0,1,0,0|2,0,0]=4 273 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 W8477 [0,1,0,1,0,0|2,0,0]=4 274 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 8360AH [0,1,0,1,0,0|2,0,0]=4 275 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 9025AH [0,1,0,1,0,0|2,0,0]=4 276 B12R2.132 N[C@@H]1COC2=CC=C(Br)C=C21 8693AH [0,1,0,1,0,0|2,0,0]=4 277 B12R2.196 CC1=CNC2=C1C=CC=C2Cl 3073AL [0,1,0,1,0,0|0,0,2]=4 278 B12R2.196 NC1CCC2=C(O)C=CC=C21 9671AH [0,1,0,1,0,0|2,0,0]=4 279 B12R2.196 NC1CCC2=C(O)C=CC=C21 9674AH [0,1,0,1,0,0|2,0,0]=4 280 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 4404AA [0,1,0,1,0,0|2,0,0]=4 281 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F 6243AC [0,1,0,1,0,0|2,0,0]=4 282 B12R2.1282 CC1(C2=NC=CC(Br)=C2)CC1 2681AA [0,1,0,1,0,0|2,0,0]=4 283 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 6902AB [0,1,0,1,0,0|2,0,0]=4 284 B12R2.2313 BrC1=CC=NC(C2CCC2)=C1 2367AA [0,1,0,1,0,0|2,0,0]=4 285 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 2217AL [0,1,0,1,0,0|0,0,0]=2 286 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,1,0,1,0,0|1,0,1]=4 287 B12R2.517 ClC1=CC=CC=C1C2CNC2 2202AL [0,1,0,1,0,0|0,0,0]=2 288 B12R2.517 FC1=CC=CC=C1C2CNC2 2204AL [0,1,0,1,0,0|0,0,0]=2 289 B8R1.7 CC(C)C1=CN=CS1 8424AA [1,0,0,0,1,0|2,0,0]=4 290 B8R1.7 CC(N)C1=CC=NO1 Z3517 [1,0,0,0,1,0|2,0,0]=4 291 B8R1.7 CC(N)C1=CN=CO1 3478AB [1,0,0,0,1,0|2,0,0]=4 292 B8R1.7 CC(N)C1=CNC=N1 9364AH [1,0,0,0,1,0|2,0,0]=4 293 B8R1.7 CC(N)C1=NC=CS1 5721AC [1,0,0,0,1,0|2,0,0]=4 294 B8R1.8 BrCCC1=CC=CO1 1031AJ [1,0,0,0,1,0|2,0,0]=4 295 B8R1.8 NCCC1=CON=C1 1755AJ [1,0,0,0,1,0|2,0,0]=4 296 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [0,0,0,0,0,2|1,0,1]=4