0 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 COCOC1=CC=CC=C1 0189AF [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 N#CNCC1=CN=CC=C1 6277AD [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 OCCCC1=NC=CC=N1 2038AJ [0,0,0,0,0,0|4,0,0]=4 6 B10R1.17 OCCCC1=NC=CN=C1 2035AJ [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|1,0,2]=4 8 B9R1.8 CNCC1=CC=NC=N1 4986AA [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|1,0,2]=4 11 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,0]=3 14 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 NCCC1=CN=CN=C1 3332AC [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 NCCC1=NC=CC=N1 4806AC [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 NCCC1=NC=NC=C1 1885AJ [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 NCCC1=NC=NC=C1 1886AJ [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 OCCC1=NC=CC=N1 1887AJ [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 OCCC1=NC=NC=C1 0497AC [1,0,0,0,0,0|3,0,0]=4 25 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|1,0,2]=4 26 B11R1.1 C=CCCC1=CC=C(Br)C=C1 4835AD [0,1,0,0,0,0|1,0,1]=3 27 B11R1.1 C=CCCC1=CC=C(Cl)C=C1 9629AD [0,1,0,0,0,0|1,0,1]=3 28 B11R1.1 CC1=CC=C(OCC#N)C=C1 6210AJ [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 CCCCC1=CN=C(Cl)N=C1 3027AC [0,1,0,0,0,0|3,0,0]=4 30 B11R1.1 CCCOC1=NC=C(Cl)C=C1 Y3728 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.1 CCOCC1=CC=C(O)C=C1 Z4904 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.1 CCOCC1=CN=C(N)C=C1 Y4084 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.1 CNCCC1=CC=C(C)C=C1 1463AB [0,1,0,0,0,0|0,0,0]=1 34 B11R1.1 COCOC1=CC=C(C)C=C1 2069AB [0,1,0,0,0,0|2,0,0]=3 35 B11R1.1 N#CNCC1=CC=C(Cl)C=C1 0136AE [0,1,0,0,0,0|3,0,0]=4 36 B11R1.1 NC1=CC=C(CCCO)C=C1 2833AC [0,1,0,0,0,0|2,0,0]=3 37 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 1755AC [0,1,0,0,0,0|2,0,0]=3 38 B11R1.1 OCCCC1=CC=C(Cl)N=C1 2859AA [0,1,0,0,0,0|3,0,0]=4 39 B11R1.16 C#CCC(O)C1=CN=CC=C1 9542AH [0,1,0,0,0,0|2,0,1]=4 40 B11R1.16 C=CCC(O)C1=CC=CC=C1 4955AL [0,1,0,0,0,0|1,0,1]=3 41 B11R1.16 C=CC[C@@H](N)C1=CC=CC=C1 1033AL [0,1,0,0,0,0|1,0,1]=3 42 B11R1.16 C=CC[C@@H](N)C1=NC=CC=C1 1031AL [0,1,0,0,0,0|2,0,1]=4 43 B11R1.16 CCCC(N)C1=CC=NC=C1 4969AJ [0,1,0,0,0,0|2,0,0]=3 44 B11R1.16 CCCC(N)C1=NC=CN=C1 9972AH [0,1,0,0,0,0|3,0,0]=4 45 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 2792AC [0,1,0,0,0,0|2,0,0]=3 46 B11R1.16 O=C(CCBr)C1=CC=CC=C1 Y1959 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.17 C=CCCC1=C(Br)C=CC=C1 8652AE [0,1,0,0,0,0|1,0,1]=3 48 B11R1.17 C=CCCC1=C(Cl)C=CC=C1 9630AD [0,1,0,0,0,0|1,0,1]=3 49 B11R1.17 C=CCCC1=CC=CC=C1F 8653AE [0,1,0,0,0,0|1,0,1]=3 50 B11R1.17 CC1=CC=CC=C1CCC=O 6596AD [0,1,0,0,0,0|2,0,0]=3 51 B11R1.17 CCCOC1=NC=CC=C1N 8654AB [0,1,0,0,0,0|3,0,0]=4 52 B11R1.17 CCNCC1=C(O)C=CC=C1 5372AJ [0,1,0,0,0,0|2,0,0]=3 53 B11R1.17 CNCCC1=C(Cl)C=CC=C1 4940AE [0,1,0,0,0,0|0,0,0]=1 54 B11R1.17 CNCCC1=CC=CC=C1C 9270AE [0,1,0,0,0,0|0,0,0]=1 55 B11R1.17 COCOC1=CC=CC=C1Cl Z0465 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.17 N#CCCC1=CC=CC=C1Cl 1363AC [0,1,0,0,0,0|2,0,0]=3 57 B11R1.17 NC1=C(CCCO)C=CC=N1 2253AF [0,1,0,0,0,0|3,0,0]=4 58 B11R1.17 NCCCC1=C(Br)C=CC=C1 5612AJ [0,1,0,0,0,0|2,0,0]=3 59 B11R1.17 NCCCC1=CC=CC=C1Cl 6271AD [0,1,0,0,0,0|2,0,0]=3 60 B11R1.17 O=CCCC1=CC=CC=C1Cl 7894AA [0,1,0,0,0,0|2,0,0]=3 61 B11R1.17 OCCCC1=C(O)C=CN=C1 0921AD [0,1,0,0,0,0|3,0,0]=4 62 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [0,1,0,0,0,0|2,0,0]=3 63 B11R1.24 CNCCC1=CC(Br)=CC=C1 9730AE [0,1,0,0,0,0|0,0,0]=1 64 B11R1.24 N#CCCC1=CC(F)=CC=C1 2070AB [0,1,0,0,0,0|2,0,0]=3 65 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1006AB [0,1,0,0,0,0|2,0,0]=3 66 B11R1.24 O=CNCC1=CC=CC(F)=C1 W3915 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.28 CC#CCNC1=CC=CC=C1 0461AD [0,1,0,0,0,0|1,0,1]=3 68 B11R1.28 CNCCCC1=CC=CC=N1 7821AA [0,1,0,0,0,0|1,0,0]=2 69 B11R1.28 CNCCCC1=CC=NC=C1 4337AJ [0,1,0,0,0,0|1,0,0]=2 70 B11R1.28 ClCCCCC1=CC=NC=C1 7442AB [0,1,0,0,0,0|2,0,0]=3 71 B11R1.28 OCCNCC1=CC=NC=C1 8413AE [0,1,0,0,0,0|3,0,0]=4 72 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [0,1,0,0,0,0|2,0,0]=3 73 B11R1.40 COC(=O)CC1=CC=CN=C1 7040AJ [0,1,0,0,0,0|2,0,1]=4 74 B11R1.40 O=C(CF)CC1=CC=CC=C1 7647AA [0,1,0,0,0,0|2,0,1]=4 75 B11R1.40 O=C(CO)CC1=CC=CC=C1 6761AB [0,1,0,0,0,0|2,0,1]=4 76 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,1,0,0,0,0|2,0,0]=3 77 B11R1.91 CC(=O)SCC1=CC=CN=C1 Z2639 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.91 CC(=O)SCC1=NC=CC=C1 Z3404 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.91 CC(=O)\N=N\C1=CC=CC=C1 3867AD [0,1,0,0,0,0|3,0,0]=4 80 B11R1.91 CC(C)NCC1=CC=NC=C1 6832AJ [0,1,0,0,0,0|3,0,0]=4 81 B11R1.91 CC(O)C#CC1=CC=CC=C1 V9883 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.91 NC(=O)CCC1=CC=CN=C1 5646AJ [0,1,0,0,0,0|3,0,0]=4 83 B11R1.91 NC(=O)CCC1=CC=NC=C1 5669AJ [0,1,0,0,0,0|3,0,0]=4 84 B11R2.1 ClC1CCC2=C1C=CC=C2 X6210 [0,0,0,1,0,0|2,0,0]=3 85 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,0,0,1,0,0|3,0,0]=4 86 B11R2.1 NC1CCC2=NC=CC=C21 7640AB [0,0,0,1,0,0|3,0,0]=4 87 B11R2.1 O=C1CCC2=C1C=NC=C2 3226AJ [0,0,0,1,0,0|3,0,0]=4 88 B11R2.1 O=C1CCC2=CN=CC=C12 6876AA [0,0,0,1,0,0|3,0,0]=4 89 B11R2.1 OC1CCC2=C1C=CC=N2 1442AA [0,0,0,1,0,0|3,0,0]=4 90 B11R2.1 OC1OCC2=C1C=CC=C2 8920AB [0,0,0,1,0,0|3,0,0]=4 91 B11R2.20 C1=CC2=C(C=C1)CNCC2 1479AL [0,0,0,1,0,0|0,0,0]=1 92 B11R2.20 C1=CC2=C(C=N1)CNCC2 1745AA [0,0,0,1,0,0|1,0,0]=2 93 B11R2.20 C1=CC2=C(C=N1)NCCC2 6452AA [0,0,0,1,0,0|3,0,0]=4 94 B11R2.20 C1=CC2=C(C=N1)NCCC2 9568AH [0,0,0,1,0,0|3,0,0]=4 95 B11R2.239 C1=CC=C(C2CNC2)C=C1 2383AJ [0,0,0,1,0,0|0,0,0]=1 96 B11R2.239 C1=CC=C(C2CNC2)C=C1 6027AB [0,0,0,1,0,0|0,0,0]=1 97 B11R2.239 C1=CC=C(C2COC2)C=C1 0754AA [0,0,0,1,0,0|1,0,0]=2 98 B11R2.988 N#CC1CC2=C1C=CC=C2 8027AE [0,0,0,1,0,0|2,0,0]=3 99 B11R2.988 O=CC1CC2=CC=CC=C21 9778AE [0,0,0,1,0,0|2,0,0]=3 100 B9R1.12 CCCCC1C=CC=C1 5026AC [0,0,0,0,1,0|1,0,1]=3 101 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.2 NCC1=CN=CN=C1 W4845 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.2 NCC1=NC=CC=N1 4855AH [2,0,0,0,0,0|2,0,0]=4 104 B8R1.2 NCC1=NC=CN=C1 9838AJ [2,0,0,0,0,0|2,0,0]=4 105 B8R1.2 NNC1=CC=CN=C1 Z1664 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 CNCC1=CN=C(Cl)C=C1 9683AL [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [1,1,0,0,0,0|2,0,0]=4 111 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [1,1,0,0,0,0|1,0,0]=3 112 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [1,1,0,0,0,0|1,0,0]=3 113 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|0,0,2]=4 114 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,1,0,0,0,0|0,0,2]=4 115 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,1,0,0,0,0|1,0,1]=4 116 B10R1.4 CCOC1=C(Cl)C=CN=C1 0184AA [1,1,0,0,0,0|2,0,0]=4 117 B10R1.4 CCOC1=CC=CN=C1F Z0876 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.4 ClCOC1=C(Cl)C=CC=C1 8609AB [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [1,1,0,0,0,0|1,0,0]=3 121 B10R1.4 NCCN1C=CC=CC1=O Y8846 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|1,0,0]=3 123 B10R1.4 O=C1C=CC=CN1CCCl 7140AB [1,1,0,0,0,0|2,0,0]=4 124 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,1,0,0,0,0|1,0,1]=4 126 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [1,1,0,0,0,0|0,0,2]=4 127 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [1,1,0,0,0,0|0,0,2]=4 128 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [1,1,0,0,0,0|1,0,1]=4 129 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [1,1,0,0,0,0|2,0,0]=4 131 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [1,1,0,0,0,0|0,0,0]=2 132 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [1,1,0,0,0,0|1,0,0]=3 133 B10R1.10 CCCC1=NC=CC(Cl)=C1 2766AJ [1,1,0,0,0,0|1,0,0]=3 134 B10R1.10 CCCC1=NC=CC(Cl)=C1 Z2848 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.10 CNCC1=CC(Cl)=NC=C1 9152AE [1,1,0,0,0,0|1,0,0]=3 136 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [1,1,0,0,0,0|0,0,2]=4 137 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [1,1,0,0,0,0|1,0,0]=3 138 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [1,1,0,0,0,0|1,0,0]=3 139 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [1,1,0,0,0,0|1,0,0]=3 141 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [1,1,0,0,0,0|1,0,1]=4 142 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [1,1,0,0,0,0|1,0,1]=4 143 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [1,1,0,0,0,0|1,0,0]=3 146 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [1,1,0,0,0,0|0,0,2]=4 147 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [1,1,0,0,0,0|2,0,0]=4 148 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [1,1,0,0,0,0|2,0,0]=4 149 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [1,1,0,0,0,0|1,0,1]=4 150 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [1,1,0,0,0,0|1,0,1]=4 151 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [1,1,0,0,0,0|1,0,1]=4 152 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [1,1,0,0,0,0|0,0,0]=2 153 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [1,1,0,0,0,0|1,0,0]=3 154 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,1,0,0,0,0|0,0,0]=2 155 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [1,1,0,0,0,0|1,0,1]=4 156 B10R1.18 C=C(C)CC1=NC=CC=C1 3662AF [1,1,0,0,0,0|1,0,1]=4 157 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [1,1,0,0,0,0|1,0,1]=4 158 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,1,0,0,0,0|1,0,0]=3 159 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [1,1,0,0,0,0|1,0,1]=4 160 B10R1.16 CNCCC1=CN(C)N=C1 8615AC [0,1,0,0,1,0|2,0,0]=4 161 B10R1.21 CCNCCN1C=CN=C1 7263AJ [0,1,0,0,1,0|2,0,0]=4 162 B10R1.29 CNCCN1C=CN=C1C 1680AF [0,1,0,0,1,0|2,0,0]=4 163 B12R1.1 CCCCOC1=NC=C(Br)C=C1 7963AA [0,2,0,0,0,0|2,0,0]=4 164 B12R1.1 NCCNCC1=CC=C(F)C=C1 7048AD [0,2,0,0,0,0|2,0,0]=4 165 B12R1.1 OCCNCC1=CC=C(Br)C=C1 Z2388 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 1299AL [0,2,0,0,0,0|2,0,0]=4 167 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 W5405 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [0,2,0,0,0,0|1,0,0]=3 169 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.21 CC(N)COC1=CC=C(Cl)C=C1 7946AD [0,2,0,0,0,0|2,0,0]=4 171 B12R1.21 CN(C)CCC1=CC=C(Br)C=C1 7634AA [0,2,0,0,0,0|0,0,0]=2 172 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,2,0,0,0,0|2,0,0]=4 173 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 5000AB [0,2,0,0,0,0|1,0,1]=4 174 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 4252AB [0,2,0,0,0,0|2,0,0]=4 175 B12R1.49 N[C@@H](CO)CC1=CC=C(I)C=C1 0762AB [0,2,0,0,0,0|2,0,0]=4 176 B12R1.69 C=CCCC1=C(Cl)C=C(Cl)C=C1 9628AD [0,2,0,0,0,0|1,0,1]=4 177 B12R1.69 CCCOC1=C(N)C=C(C)C=C1 8328AE [0,2,0,0,0,0|2,0,0]=4 178 B12R1.71 C=CCCC1=CC=C(OC)C=C1 6964AD [0,2,0,0,0,0|1,0,1]=4 179 B12R1.71 CCCCC1=CC=C(C=O)C=N1 3488AJ [0,2,0,0,0,0|2,0,0]=4 180 B12R1.71 COC1=CC=C(CCC=O)C=C1 0461AB [0,2,0,0,0,0|2,0,0]=4 181 B12R1.71 COC1=CC=C(CCCN)C=C1 4617AB [0,2,0,0,0,0|2,0,0]=4 182 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 1958AE [0,2,0,0,0,0|2,0,0]=4 183 B12R1.3 N#CC(CCCl)C1=CC=CC=C1 5783AC [0,2,0,0,0,0|2,0,0]=4 184 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 2346AL [0,2,0,0,0,0|2,0,0]=4 185 B12R1.17 NC(CCO)C1=CC(O)=CC=C1 2221AL [0,2,0,0,0,0|2,0,0]=4 186 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 W7846 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.34 NC(C(=O)NO)C1=CC=CC=C1 8279AC [0,2,0,0,0,0|1,0,1]=4 188 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 2339AJ [0,2,0,0,0,0|2,0,0]=4 189 B12R1.39 COCS(=O)(=O)C1=CC=CC=C1 8209AL [0,2,0,0,0,0|2,0,0]=4 190 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 5911AJ [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|2,0,0]=4 192 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 5089AD [0,2,0,0,0,0|1,0,1]=4 193 B12R1.308 N[C@@H](CCO)C1=CC=CC=C1Cl 1292AL [0,2,0,0,0,0|2,0,0]=4 194 B12R1.25 CC1=C(F)C=CC=C1CCCN 1955AE [0,2,0,0,0,0|2,0,0]=4 195 B12R1.25 FC1=CC=CC(CCCBr)=C1F 1296AA [0,2,0,0,0,0|2,0,0]=4 196 B12R1.121 C=CCCC1=CC=CC=C1C#N 6848AE [0,2,0,0,0,0|1,0,1]=4 197 B12R1.121 C=CCCC1=CC=CC=C1OC 7184AE [0,2,0,0,0,0|1,0,1]=4 198 B12R1.125 C=C(Br)CCC1=CC=CC=C1C 7422AE [0,2,0,0,0,0|1,0,1]=4 199 B12R1.267 CC1=CC=CC=C1CNCCN 6860AE [0,2,0,0,0,0|2,0,0]=4 200 B12R1.267 CCCCNC1=NC=CC=C1N 5207AE [0,2,0,0,0,0|2,0,0]=4 201 B12R1.267 CCCCOC1=CC=CC=C1N 3822AE [0,2,0,0,0,0|1,0,0]=3 202 B12R1.267 FC1=C(OCCCBr)C=CC=C1 4432AD [0,2,0,0,0,0|2,0,0]=4 203 B12R1.267 NCCCOC1=CC=CC=C1Cl 5614AJ [0,2,0,0,0,0|2,0,0]=4 204 B12R1.267 NCCCOC1=CC=CC=C1F 9752AC [0,2,0,0,0,0|2,0,0]=4 205 B12R1.267 NCCNCC1=CC=CC=C1Cl 6894AE [0,2,0,0,0,0|2,0,0]=4 206 B12R1.267 NCCNCC1=CC=CC=C1F 6408AC [0,2,0,0,0,0|2,0,0]=4 207 B12R1.267 NCCOCC1=CC=CC=C1Cl 7562AE [0,2,0,0,0,0|2,0,0]=4 208 B12R1.28 CC1=CC(CNCCN)=CC=C1 4252AF [0,2,0,0,0,0|2,0,0]=4 209 B12R1.28 NCCNCC1=CC=CC(Cl)=C1 7639AC [0,2,0,0,0,0|2,0,0]=4 210 B12R1.100 CCCOC1=CC(Cl)=CC(Cl)=C1 3504AA [0,2,0,0,0,0|2,0,0]=4 211 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [0,2,0,0,0,0|1,0,0]=3 212 B12R1.382 C=CCCC1=CC=CC(OC)=C1 0825AD [0,2,0,0,0,0|1,0,1]=4 213 B12R1.382 CCNCC1=CC(C#N)=CC=C1 Z2673 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.382 CCOCC1=CC(CN)=CC=C1 8599AH [0,2,0,0,0,0|2,0,0]=4 215 B12R1.382 COC1=CC(CCC=O)=CC=C1 5343AB [0,2,0,0,0,0|2,0,0]=4 216 B12R1.382 COC1=CC=CC(CCCN)=C1 6272AD [0,2,0,0,0,0|2,0,0]=4 217 B12R1.382 COCCC1=CC=CC(CN)=C1 5619AJ [0,2,0,0,0,0|1,0,0]=3 218 B12R1.382 N#CC1=CC=CC(CCC=O)=C1 1968AJ [0,2,0,0,0,0|2,0,0]=4 219 B12R1.27 C[C@@H](C=O)OCC1=CC=CC=C1 9118AH [0,2,0,0,0,0|2,0,0]=4 220 B12R1.32 CN(CC#N)CC1=CC=CC=C1 1817AL [0,2,0,0,0,0|2,0,0]=4 221 B12R1.32 N#CCC(=O)CC1=CC=CC=C1 2472AL [0,2,0,0,0,0|2,0,0]=4 222 B12R1.252 CC(C)=CCSC1=CC=CC=C1 1107AL [0,2,0,0,0,0|1,0,1]=4 223 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 0384AA [0,2,0,0,0,0|1,0,1]=4 224 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 4042AL [0,2,0,0,0,0|1,1,0]=4 225 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [1,0,0,1,0,0|1,0,0]=3 226 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [1,0,0,1,0,0|1,0,0]=3 227 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [1,0,0,1,0,0|1,0,0]=3 228 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [1,0,0,1,0,0|2,0,0]=4 229 B10R2.7 C1=CN=C2CNCC2=N1 3375AJ [1,0,0,1,0,0|2,0,0]=4 230 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 6154AC [0,1,0,1,0,0|1,0,0]=3 231 B12R2.24 CC1CNC2=CC=CC=C2N1 1064AQ [0,1,0,1,0,0|2,0,0]=4 232 B12R2.24 CN1CCC2=C(C=CC=C2)C1 7528AB [0,1,0,1,0,0|0,0,0]=2 233 B12R2.24 ClC1=CC2=C(C=C1)COCC2 2268AC [0,1,0,1,0,0|1,0,0]=3 234 B12R2.24 ClC1=CC2=C(C=N1)CCNC2 1388AA [0,1,0,1,0,0|1,0,0]=3 235 B12R2.24 ClC1=CC2=C(C=N1)CNCC2 X4987 [0,1,0,1,0,0|1,0,0]=3 236 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 X5472 [0,1,0,1,0,0|1,0,0]=3 237 B12R2.24 ClC1=NC2=C(C=N1)CCNC2 3374AA [0,1,0,1,0,0|2,0,0]=4 238 B12R2.24 ClC1=NC=C2CNCCC2=N1 6185AC [0,1,0,1,0,0|2,0,0]=4 239 B12R2.24 ClC1=NN=C2CCNCC2=C1 Y6657 [0,1,0,1,0,0|2,0,0]=4 240 B12R2.24 NC1=CC2=C(C=C1)CNCC2 1216AC [0,1,0,1,0,0|0,0,0]=2 241 B12R2.24 NC1=CC2=C(C=N1)CCCC2 2858AL [0,1,0,1,0,0|2,0,0]=4 242 B12R2.24 NC1=CC2=C(CCNC2)N=C1 Y6674 [0,1,0,1,0,0|1,0,0]=3 243 B12R2.24 NC1=CC=C2CCCNC2=C1 9585AH [0,1,0,1,0,0|2,0,0]=4 244 B12R2.24 NC1=CC=C2NCCCC2=C1 9584AH [0,1,0,1,0,0|2,0,0]=4 245 B12R2.24 NC1=NC2=C(C=C1)CCCC2 9830AL [0,1,0,1,0,0|2,0,0]=4 246 B12R2.24 NC1=NC2=C(C=N1)CNCC2 3017AD [0,1,0,1,0,0|2,0,0]=4 247 B12R2.24 NC1CSC2=C(C=CC=C2)C1 4667AJ [0,1,0,1,0,0|2,0,0]=4 248 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 9211AH [0,1,0,1,0,0|2,0,0]=4 249 B12R2.24 N[C@H]1COC2=CC=CC=C2C1 8788AB [0,1,0,1,0,0|2,0,0]=4 250 B12R2.24 O=C1C=C2CNCCC2=NN1 3008AJ [0,1,0,1,0,0|2,0,0]=4 251 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 1156AJ [0,1,0,1,0,0|2,0,0]=4 252 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 5076AC [0,1,0,1,0,0|2,0,0]=4 253 B12R2.79 NC1CC1C2=CC=C(Cl)C=C2 1164AJ [0,1,0,1,0,0|2,0,0]=4 254 B12R2.79 NC1CC1C2=CC=C(F)C=C2 1174AJ [0,1,0,1,0,0|2,0,0]=4 255 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 8367AH [0,1,0,1,0,0|2,0,0]=4 256 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 8409AH [0,1,0,1,0,0|2,0,0]=4 257 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,1,0,0|2,0,0]=4 258 B12R2.132 NC1=CC=C2CCC(O)C2=C1 3419AJ [0,1,0,1,0,0|2,0,0]=4 259 B12R2.132 NC1CCC2=CC=C(Br)C=C21 3445AJ [0,1,0,1,0,0|2,0,0]=4 260 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3497AJ [0,1,0,1,0,0|2,0,0]=4 261 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 W8477 [0,1,0,1,0,0|2,0,0]=4 262 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 8360AH [0,1,0,1,0,0|2,0,0]=4 263 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 9025AH [0,1,0,1,0,0|2,0,0]=4 264 B12R2.294 IC1=CC=C(OC2CC2)C=C1 3012AD [0,1,0,1,0,0|2,0,0]=4 265 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 2229AL [0,1,0,1,0,0|0,0,0]=2 266 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 2234AL [0,1,0,1,0,0|0,0,0]=2 267 B12R2.2 C1=CC=C(C2CCCC2)C=C1 0857AC [0,1,0,1,0,0|1,0,0]=3 268 B12R2.2 C1=CC=C(C2CCCO2)C=C1 Y7711 [0,1,0,1,0,0|1,0,0]=3 269 B12R2.2 C1=CC=C(C2CCNC2)N=C1 7524AA [0,1,0,1,0,0|1,0,0]=3 270 B12R2.2 C1=CC=C(C2CCOC2)C=C1 Y7773 [0,1,0,1,0,0|1,0,0]=3 271 B12R2.2 C1=CN=C([C@H]2CCCN2)C=C1 8960AH [0,1,0,1,0,0|2,0,0]=4 272 B12R2.27 C#CC1CC1C2=CC=CC=C2 5287AC [0,1,0,1,0,0|1,0,1]=4 273 B12R2.27 O=CC1CC1C2=CC=CC=C2 0304AC [0,1,0,1,0,0|1,0,1]=4 274 B12R2.116 NC1(C2=CC=CC=C2)COC1 X3454 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.1081 CC1=C2CNCCC2=NC=N1 6186AC [0,1,0,1,0,0|2,0,0]=4 276 B12R2.1081 CC1=NC=NC2=C1CNCC2 X9301 [0,1,0,1,0,0|2,0,0]=4 277 B12R2.1081 CC1CNCC2=C1C=CC=C2 8753AC [0,1,0,1,0,0|0,0,0]=2 278 B12R2.1081 ClC1=C2CNCCC2=NC=N1 9916AC [0,1,0,1,0,0|2,0,0]=4 279 B12R2.1081 ClC1=NC=NC2=C1CCNC2 X5476 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.1081 FC1=C2CNCCC2=CC=C1 3784AJ [0,1,0,1,0,0|0,0,0]=2 281 B12R2.1081 FC1=CC=CC2=C1CCCN2 X9437 [0,1,0,1,0,0|2,0,0]=4 282 B12R2.1081 NC1=C2CCCOC2=CC=C1 3919AJ [0,1,0,1,0,0|2,0,0]=4 283 B12R2.1081 NC1=CC=CC2=C1NCCC2 9586AH [0,1,0,1,0,0|2,0,0]=4 284 B12R2.1081 NC1CCCC2=CN=CC=C21 3015AJ [0,1,0,1,0,0|2,0,0]=4 285 B12R2.1081 NC1CCCC2=NC=CC=C21 3019AJ [0,1,0,1,0,0|2,0,0]=4 286 B12R2.1081 NC1CSCC2=CC=CC=C21 X9564 [0,1,0,1,0,0|1,0,0]=3 287 B12R2.1081 N[C@@H]1CCCC2=CC=CN=C21 4706AB [0,1,0,1,0,0|2,0,0]=4 288 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1369AJ [0,1,0,1,0,0|0,0,1]=3 289 B12R2.1081 O=C1N=CNC2=C1CNCC2 1751AC [0,1,0,1,0,0|2,0,0]=4 290 B12R2.1081 O=C1NC=CC2=C1CCNC2 Y6683 [0,1,0,1,0,0|1,0,0]=3 291 B12R2.1081 OC1=CC=CC2=C1CCCN2 9583AH [0,1,0,1,0,0|2,0,0]=4 292 B12R2.1081 OC1=CC=CC2=C1CCNC2 0688AA [0,1,0,1,0,0|0,0,0]=2 293 B12R2.1081 OC1CCCC2=C1N=CC=C2 6497AJ [0,1,0,1,0,0|2,0,0]=4 294 B12R2.1081 OC1CCNC2=CC=CC=C21 1767AB [0,1,0,1,0,0|2,0,0]=4 295 B12R2.1081 OC1CNCC2=C1C=CC=C2 9573AH [0,1,0,1,0,0|0,0,0]=2 296 B12R2.2028 CN1N=C(Br)C2=CC=CC=C21 V2198 [0,1,0,1,0,0|1,0,1]=4 297 B12R2.2028 NC1CC(=O)C2=CC=CC=C21 4741AD [0,1,0,1,0,0|2,0,0]=4 298 B12R2.2028 OC1CC(O)C2=C1C=CC=C2 6524AE [0,1,0,1,0,0|2,0,0]=4 299 B12R2.2075 N[C@@H](C1=CC=CC=C1)C2CC2 W6276 [0,1,0,1,0,0|1,0,0]=3 300 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 9257AH [0,1,0,1,0,0|1,0,0]=3 301 B12R2.32 CNC1CC2=CC=CC=C2C1 8229AD [0,1,0,1,0,0|0,0,0]=2 302 B12R2.32 NCC1CC2=C(C=CC=C2)C1 1347AJ [0,1,0,1,0,0|2,0,0]=4 303 B12R2.196 CN1N=CC2=C1C=CC=C2I W9622 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.196 NC1CCC2=C(O)C=CC=C21 9671AH [0,1,0,1,0,0|2,0,0]=4 305 B12R2.196 NC1CCC2=C(O)C=CC=C21 9674AH [0,1,0,1,0,0|2,0,0]=4 306 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 4404AA [0,1,0,1,0,0|2,0,0]=4 307 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F 6243AC [0,1,0,1,0,0|2,0,0]=4 308 B12R2.196 O=C1CCC2=C1C=CC=C2I W7326 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.517 ClC1=CC=CC=C1C2CNC2 2202AL [0,1,0,1,0,0|0,0,0]=2 310 B12R2.517 FC1=CC=CC=C1C2CNC2 2204AL [0,1,0,1,0,0|0,0,0]=2 311 B12R2.203 CN1C=NC2=C1C(N)=CC=C2 6472AJ [0,1,0,1,0,0|1,0,1]=4 312 B12R2.203 CN1N=CC2=C1C(Cl)=CC=C2 Y5242 [0,1,0,1,0,0|1,0,1]=4 313 B12R2.203 CN1N=CC2=C1C(O)=CC=C2 Y9874 [0,1,0,1,0,0|1,0,1]=4 314 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3927AB [0,1,0,1,0,0|2,0,0]=4 315 B12R2.612 CN1C=NC2=CC(N)=CC=C21 2805AF [0,1,0,1,0,0|1,0,1]=4 316 B12R2.612 CN1N=CC2=C1C=CC(F)=C2 Y5767 [0,1,0,1,0,0|1,0,1]=4 317 B12R2.612 NC1CCC2=C1C=CC(F)=C2 7424AA [0,1,0,1,0,0|2,0,0]=4 318 B12R2.612 NC1CCC2=CC(Cl)=CC=C21 3177AJ [0,1,0,1,0,0|2,0,0]=4 319 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 X8974 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.612 OC1=CC2=C(C=C1)C(O)CC2 4876AB [0,1,0,1,0,0|2,0,0]=4 321 B12R2.2313 BrC1=CC=NC(C2CCC2)=C1 2367AA [0,1,0,1,0,0|2,0,0]=4 322 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 2217AL [0,1,0,1,0,0|0,0,0]=2 323 B12R2.1 NCC1CNC2=C1C=CC=C2 5681AJ [0,1,0,1,0,0|2,0,0]=4 324 B12R2.1 OCC1COC2=C1C=CC=C2 1051AL [0,1,0,1,0,0|2,0,0]=4 325 B12R2.1 O\N=C1/CCC2=C1C=CC=C2 1637AL [0,1,0,1,0,0|1,0,1]=4 326 B12R2.2058 C1=CC(OC2CNC2)=CN=C1 2249AL [0,1,0,1,0,0|1,0,0]=3 327 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 2376AJ [0,1,0,1,0,0|0,0,0]=2 328 B12R2.18 CN1C(=S)NC2=CC=CC=C21 0345AQ [0,1,0,1,0,0|1,0,1]=4 329 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 9912AH [0,1,0,1,0,0|0,0,2]=4 330 B12R2.18 NC1CC2=CC=CC=C2C1O 3933AD [0,1,0,1,0,0|2,0,0]=4 331 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N 1058AB [0,1,0,1,0,0|2,0,0]=4 332 B12R2.18 O=C1C2=C(C=CC=C2)CC1Br 9317AA [0,1,0,1,0,0|2,0,0]=4 333 B12R2.2403 C[Si]1(C)OCC2=CC=CC=C21 AMTSi121 [0,1,0,1,0,0|2,0,0]=4 334 B12R2.3190 O=C(O)C1CC2=C1C=CC=C2 K945 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.8 BrCCC1=CC=CO1 1031AJ [1,0,0,0,1,0|2,0,0]=4 336 B8R1.8 CNCC1=CC=NO1 4173AJ [1,0,0,0,1,0|2,0,0]=4 337 B8R1.8 CNCC1=CNC=N1 0737AD [1,0,0,0,1,0|2,0,0]=4 338 B8R1.8 NCCC1=CON=C1 1755AJ [1,0,0,0,1,0|2,0,0]=4