0 B9R1.8 BrCCC1=NC=CC=C1 F8884-9163 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.8 CNCC1=CC=NC=C1 F2148-2247 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=CN=CC=C1 F2158-0857 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 NCCC1=CC=CN=C1 F0001-0713 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 O=CCC1=CC=CC=C1 F2190-0653 [0,0,0,0,0,0|0,1,1]=2 5 B9R1.8 OCCC1=CC=NC=C1 F8882-3307 [0,0,0,0,0,0|1,1,0]=2 6 B9R1.8 OCCC1=CN=CC=C1 F1910-8470 [0,0,0,0,0,0|1,1,0]=2 7 B8R1.2 ClCC1=NC=CC=N1 F1905-7063 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 NCC1=NC=CC=N1 F2147-1534 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 OCC1=CC=NC=C1 F0001-1532 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.2 OCC1=NC=CC=N1 F1910-8474 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.2 OCC1=NC=CN=C1 F9995-1190 [1,0,0,0,0,0|2,1,0]=4 12 B10R1.1 CCOC1=CC=C(Br)C=C1 F0001-1538 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.1 S=C=NC1=CC=C(Br)C=C1 F1915-0004 [0,1,0,0,0,0|1,0,2]=4 14 B10R1.1 [N-]=[N+]=NC1=CC=C(I)C=C1 F2157-0621 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.4 CC1=CC=CC=C1CNN F2158-0780 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.4 CC1=CC=CC=C1N=[N+]=[N-] F2157-0463 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.4 CCOC1=C(C)C=CC=C1 F8883-7586 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.4 FC1=C(N=C=S)C=CC=C1 F1915-0005 [0,1,0,0,0,0|1,0,2]=4 19 B10R1.4 NNCC1=CC=CC=C1F F2158-0782 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.4 OCCC1=C(Br)C=CC=C1 F0001-0153 [0,1,0,0,0,0|0,1,0]=2 21 B10R1.4 S=C=NC1=CC=CC=C1Br F2121-0332 [0,1,0,0,0,0|1,0,2]=4 22 B10R1.4 [N-]=[N+]=NC1=C(F)C=CC=C1 F2157-0464 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.10 CC1=CC=CC(N=[N+]=[N-])=C1 F2157-0462 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.10 CCOC1=CC(Br)=CN=C1 F1967-2389 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.10 CCOC1=NC=CC(N)=C1 F8882-6686 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.10 FC1=CC=CC(N=C=S)=C1 F0001-1146 [0,1,0,0,0,0|1,0,2]=4 27 B10R1.10 NCCC1=CC(Cl)=CC=C1 F0001-2428 [0,1,0,0,0,0|1,0,0]=2 28 B10R1.10 S=C=NC1=CC(Br)=CC=C1 F2121-0330 [0,1,0,0,0,0|1,0,2]=4 29 B10R1.10 [N-]=[N+]=NC1=CC(Br)=CC=C1 F2157-0574 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.15 C#CC(O)C1=CC=CC=C1 F0001-1173 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.15 C=CC(O)C1=CC=CC=C1 F8884-0046 [0,1,0,0,0,0|1,0,1]=3 32 B10R1.15 CCC(C)C1=CC=CC=C1 F0001-0456 [0,1,0,0,0,0|1,0,0]=2 33 B10R1.15 O=C(CCl)C1=CC=CN=C1 F2108-0088 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.17 C#CCOC1=CC=CC=C1 F8882-4982 [0,1,0,0,0,0|1,0,1]=3 35 B10R1.17 CCCCC1=CC=CC=C1 F0001-0089 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.17 CNCCC1=NC=CC=C1 F2158-0901 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.17 NCCOC1=CN=CC=C1 F8881-5754 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.17 NCCOC1=NC=CC=C1 F2147-1481 [0,1,0,0,0,0|2,0,0]=3 39 B10R1.17 O=CNCC1=CC=CC=C1 F1984-0386 [0,1,0,0,0,0|0,1,1]=3 40 B10R1.17 OCC#CC1=CC=NC=C1 F8883-4477 [0,1,0,0,0,0|1,1,1]=4 41 B10R1.17 OCC#CC1=CN=CC=C1 F8882-3475 [0,1,0,0,0,0|1,1,1]=4 42 B10R1.17 OCC#CC1=NC=CC=C1 F8885-6318 [0,1,0,0,0,0|1,1,1]=4 43 B10R1.18 CC(=O)CC1=CN=CC=C1 F8886-6819 [0,1,0,0,0,0|1,1,1]=4 44 B10R1.18 NC(=O)CC1=CC=CC=C1 F1084-0941 [0,1,0,0,0,0|0,1,1]=3 45 B10R2.7 C1=CC=C2CNCC2=C1 F2158-0930 [0,0,0,1,0,0|2,0,0]=3 46 B10R2.7 C1=CC=C2NN=CC2=C1 F0918-7060 [0,0,0,1,0,0|2,0,1]=4 47 B10R2.7 C1=CN=C2CNCC2=C1 F2167-3868 [0,0,0,1,0,0|3,0,0]=4 48 B10R2.7 C1=NC=C2CNCC2=C1 F2167-3866 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.8 CCCN1C=CC=N1 F2169-1036 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.8 CNCC1=CC=CS1 F2169-1271 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.8 N#CCC1=CSC=C1 F0001-0473 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.8 OCCC1=CC=CS1 F0001-1418 [0,0,0,0,1,0|1,1,0]=3 53 B8R1.8 OCCC1=CNN=C1 F2198-2728 [0,0,0,0,1,0|2,1,0]=4 54 B8R1.8 OCCC1=CSC=C1 F0001-0474 [0,0,0,0,1,0|1,1,0]=3 55 B7R1.3 CC1=CC=NC=N1 F0001-1003 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.3 OC1=NC=CC=C1 F1995-0210 [2,0,0,0,0,0|1,1,0]=4 57 B9R1.1 C=CC1=CC=C(Cl)C=C1 F0001-0150 [1,1,0,0,0,0|0,0,2]=4 58 B9R1.1 CC1=CC=C(NN)C=C1 F2121-0390 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.1 CNC1=NC=C(Br)C=C1 F8881-1586 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.1 FC1=CC=C(CCl)C=C1 F2190-0253 [1,1,0,0,0,0|1,0,0]=3 61 B9R1.1 NNC1=CC=C(F)C=C1 F2121-0394 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.2 CC1=CC(CCl)=CN=C1 F1910-8464 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.2 CC1=CN=CC(CO)=C1 F1910-8475 [1,1,0,0,0,0|1,1,0]=4 64 B9R1.2 CCC1=CC=CC(N)=C1 F0001-1535 [1,1,0,0,0,0|0,0,0]=2 65 B9R1.2 CNC1=NC(Br)=CC=C1 F8889-0577 [1,1,0,0,0,0|2,0,0]=4 66 B9R1.2 ClCC1=CC(Br)=CC=C1 F0001-2247 [1,1,0,0,0,0|1,0,0]=3 67 B9R1.2 NCC1=CC=CC(I)=C1 F1967-6740 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.15 CC1=CC=CC=C1NN F0001-1724 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.15 CC1=CC=CN=C1CCl F8880-5362 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.15 FC1=C(CBr)C=CC=C1 F0001-1217 [1,1,0,0,0,0|1,0,0]=3 71 B9R1.11 CCC(N)C1=CC=CS1 F8888-5229 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.12 CCNCC1=CC=CS1 F8889-3020 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.13 CC(N)CC1=CC=CS1 F2189-0008 [0,1,0,0,1,0|2,0,0]=4 74 B11R1.1 CCNCC1=CC=C(Br)C=C1 F8882-0015 [0,2,0,0,0,0|1,0,0]=3 75 B11R1.1 CCNCC1=CC=C(F)C=C1 F2169-1246 [0,2,0,0,0,0|1,0,0]=3 76 B11R1.1 OCCCC1=CC=C(Cl)C=C1 F8884-2041 [0,2,0,0,0,0|0,1,0]=3 77 B11R1.1 [N-]=[N+]=NCC1=CC=C(F)C=C1 F1901-0276 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.20 CC1=CC=C(CC(=O)Cl)C=C1 F2146-0479 [0,2,0,0,0,0|0,1,1]=4 79 B11R1.20 CN(C)CC1=CC=C(N)C=C1 F2184-0002 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 F2146-0439 [0,2,0,0,0,0|0,1,1]=4 81 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 F0001-0652 [0,2,0,0,0,0|0,1,1]=4 82 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 F0001-1105 [0,2,0,0,0,0|0,1,1]=4 83 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 F2136-0003 [0,2,0,0,0,0|1,0,1]=4 84 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 F2169-1086 [0,2,0,0,0,0|1,0,1]=4 85 B11R1.22 NCC(O)C1=CC=C(O)C=C1 F2173-0210 [0,2,0,0,0,0|1,0,0]=3 86 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 F0001-2254 [0,2,0,0,0,0|1,0,1]=4 87 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 F0001-1236 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.83 C#CC1=CC=C(CC#N)C=C1 F0001-1017 [0,2,0,0,0,0|1,0,1]=4 89 B11R1.83 COC1=CC=C(CCN)C=C1 F2190-0399 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.83 COC1=CC=C(CCO)C=C1 F0001-1817 [0,2,0,0,0,0|0,1,0]=3 91 B11R1.83 N#CC1=CC=C(CCN)C=C1 F8883-7640 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.83 N#CC1=CC=C(CCN)C=C1 F9995-2203 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.192 CNCC1=CC(C)=C(C)C=C1 F8885-5256 [0,2,0,0,0,0|2,0,0]=4 94 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 F9995-1599 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.17 CCNCC1=C(F)C=CC=C1 F2169-1237 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.17 CCNCC1=C(O)C=CC=C1 F1907-0065 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.17 NC1=CC=CC=C1OCCF F1967-9285 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.17 [N-]=[N+]=NCC1=C(Cl)C=CC=C1 F2157-0506 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 F0001-1743 [0,2,0,0,0,0|0,1,1]=4 100 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 F2169-1229 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.222 CCC(C)C1=CC=CC=C1O F0001-2199 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl F0001-1306 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.23 CCC(=O)C1=CC=CC(Cl)=C1 F0001-1011 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.24 CCCOC1=CC(Br)=CN=C1 F1967-2390 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.24 [N-]=[N+]=NCC1=CC=CC(F)=C1 F1901-0277 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.157 CC(C)OC1=CC(N)=CC=C1 F5608-0062 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.157 CC1=CC(CC(=O)Cl)=CC=C1 F2190-0113 [0,2,0,0,0,0|0,1,1]=4 108 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 F0001-0674 [0,2,0,0,0,0|0,1,1]=4 109 B11R1.189 COC1=CC(CNN)=CC=C1 F2169-0409 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.16 COCC(=O)C1=CC=CC=C1 F0001-1153 [0,2,0,0,0,0|0,1,1]=4 111 B11R1.16 N#CCC(O)C1=CC=CC=C1 F8883-1724 [0,2,0,0,0,0|1,0,0]=3 112 B11R1.16 NCCC(O)C1=CC=CC=C1 F2189-0583 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 F0001-2370 [0,2,0,0,0,0|0,1,1]=4 114 B11R1.28 CCO\C=N\C1=CC=CC=C1 F9995-0330 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.91 O=C(Cl)COC1=CC=CC=C1 F2190-0093 [0,2,0,0,0,0|0,1,1]=4 116 B11R1.509 CC(C)(O)CC1=CC=CC=C1 F0001-0030 [0,2,0,0,0,0|0,1,0]=3 117 B11R1.509 FC(F)(F)OC1=CC=CC=C1 F0001-1239 [0,2,0,0,0,0|2,0,0]=4 118 B11R2.36 BrC1=CC2=C(C=C1)CNC2 F1993-0038 [0,1,0,1,0,0|2,0,0]=4 119 B11R2.36 NC1=CC2=C(C=C1)SC=C2 F0817-0001 [0,1,0,1,0,0|0,0,2]=4 120 B11R2.36 NC1=CC=C2N=CSC2=C1 F9995-1155 [0,1,0,1,0,0|1,0,1]=4 121 B11R2.36 NC1=CC=C2OCCC2=C1 F5608-0055 [0,1,0,1,0,0|0,1,0]=3 122 B11R2.20 C1=CC2=C(C=C1)NCCN2 F1618-0408 [0,1,0,1,0,0|1,0,0]=3 123 B11R2.20 C1=CC2=C(C=C1)OCCN2 F2158-0918 [0,1,0,1,0,0|0,1,0]=3 124 B11R2.20 C1=CC=C2SCCNC2=C1 F1935-0005 [0,1,0,1,0,0|0,0,0]=2 125 B11R2.1 NC1=NCC2=C1C=CC=C2 F0014-0829 [0,1,0,1,0,0|1,0,1]=4 126 B11R2.40 NC1(C2=CC=CC=C2)CC1 F9995-1832 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.1 NCC1=CSC=C1 F2189-0326 [1,0,0,0,1,0|2,0,0]=4