0 B11R1.28 CCC\C=C\C1=CC=CC=C1 099042 [1,0,0,0,0,0|1,0,1]=3 1 B11R1.28 CCO\C=N\C1=CC=CC=C1 102609 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 O=C=NCCC1=CC=CC=C1 067795 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 O=CCOCC1=CC=CC=C1 209052 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 104683 [0,1,0,0,0,0|1,0,2]=4 5 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 098919 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 180442 [0,1,0,0,0,0|0,0,2]=3 7 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 239588 [0,1,0,0,0,0|0,0,0]=1 8 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 009825 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 042468 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 020638 [0,1,0,0,0,0|1,0,1]=3 11 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 098382 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.3 C1=CC=C(C2=CC=CN=C2)C=C1 047010 [0,0,0,1,0,0|3,0,0]=4 13 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 047011 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 012253 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 040214 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 047027 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.15 NC1=NNC=C1C2=CC=CC=C2 009941 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.15 O=C1CCCN1C2=CC=CC=C2 075213 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.1613 O=CC1=CC=CC2=C1C=CN=C2 079310 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.1613 O=CC1=CC=CC2=CC=CC=C12 065345 [0,0,0,1,0,0|1,0,1]=3 21 B13R2.5252 O=C1CCCNC2=CC=CC=C12 011889 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.17 C(=O)NCC1=CC=CC=C1 300142 [2,0,0,0,0,0|1,0,0]=3 23 B10R1.17 C=CCCC1=CC=CC=C1 342184 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 C=CCOC1=CC=CC=C1 242682 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 C=CCSC1=CC=CC=C1 003665 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 CCOCC1=CC=CC=C1 240434 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 ClCOCC1=CC=CC=C1 106900 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 O=CC#CC1=CC=CC=C1 079303 [2,0,0,0,0,0|0,0,2]=4 29 B10R1.17 O=CCCC1=CC=CC=C1 237467 [2,0,0,0,0,0|0,0,1]=3 30 B10R1.17 O=CNCC1=CC=CN=C1 032579 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 O=COCC1=CC=CC=C1 240742 [2,0,0,0,0,0|0,0,0]=2 32 B10R1.17 O=C\C=C\C1=CC=CC=C1 099129 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.17 O=C\C=C\C1=CC=CC=C1 224150 [2,0,0,0,0,0|0,0,0]=2 34 B10R1.17 OCC#CC1=CC=CC=C1 166200 [2,0,0,0,0,0|0,0,2]=4 35 B10R1.17 OCCCC1=CC=CC=C1 241187 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 OCCNC1=CC=CC=C1 240954 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.17 OCCOC1=CC=CC=C1 005091 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.17 OCCSC1=CC=CC=C1 003534 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.17 OC\C=C\C1=CC=CC=C1 237687 [2,0,0,0,0,0|0,0,0]=2 40 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 209319 [1,1,0,0,0,0|0,0,2]=4 41 B12R1.252 CC(=O)COCC1=CC=CC=C1 222790 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.252 CC(=O)NCCC1=CC=CC=C1 240701 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.252 NC(=O)CCCC1=CC=CC=C1 342267 [1,1,0,0,0,0|0,0,2]=4 44 B12R1.252 NC(=O)NCCC1=CC=CC=C1 180296 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 432089 [1,1,0,0,0,0|0,0,2]=4 46 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 318677 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.252 O=C(O)CCCC1=CC=CC=C1 214820 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.252 O=C(O)CCNC1=CC=CC=C1 387000 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.252 O=C(O)CCSC1=CC=CC=C1 065695 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.252 O=C(O)CNCC1=CC=CC=C1 011446 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.252 O=C(O)CSCC1=CC=CC=C1 003688 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 207105 [0,2,0,0,0,0|1,0,1]=4 53 B12R2.1 O=CC1=CNC2=C1C=CC=C2 036402 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.1 O=CC1=CSC2=CC=CC=C12 065306 [1,0,0,1,0,0|1,0,1]=4 55 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 209295 [1,0,0,1,0,0|1,1,0]=4 56 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 208941 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 033649 [1,0,0,1,0,0|1,0,1]=4 58 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 222044 [1,0,0,1,0,0|1,0,1]=4 59 B12R2.1081 CC1=CC=CC2=CC=CC=C12 099064 [1,0,0,1,0,0|1,0,1]=4 60 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 040234 [1,0,0,1,0,0|2,0,0]=4 61 B12R2.1081 FC1=CC=CC2=CC=CC=C12 002697 [1,0,0,1,0,0|1,0,1]=4 62 B12R2.1081 IC1=CC=CC2=CC=CC=C12 005439 [1,0,0,1,0,0|1,0,1]=4 63 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 216423 [1,0,0,1,0,0|1,0,1]=4 64 B12R2.1081 NC1=C2C=CC=CC2=CC=N1 064975 [1,0,0,1,0,0|2,0,0]=4 65 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [1,0,0,1,0,0|0,0,2]=4 66 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.1081 O=C1OCCC2=C1C=CC=C2 209012 [1,0,0,1,0,0|0,0,1]=3 68 B12R2.1081 OC1=C2C=CC=CC2=CC=C1 208940 [1,0,0,1,0,0|0,0,2]=4 69 B14R2.926 NC1=C(C2=CC=C(Cl)C=C2)C=NO1 033273 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.8 O=CC1=CC=C(C2=CC=CC=C2)S1 218271 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.1131 O=CC1=CC=C(O)C2=CC=CC=C12 146600 [0,1,0,1,0,0|1,0,1]=4 72 B14R2.203 O=CC1=C(O)C=CC2=C1C=CC=C2 358223 [0,1,0,1,0,0|1,0,1]=4 73 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 068586 [0,1,0,1,0,0|0,0,1]=3 74 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 034309 [0,1,0,1,0,0|0,0,2]=4 75 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 040327 [0,1,0,1,0,0|0,0,2]=4 76 B14R2.277 O=C1CCC(=O)N1C2=CC=CC=C2 001214 [0,1,0,1,0,0|2,0,0]=4 77 B14R2.2 CC(=O)OC1=CNC2=C1C=CC=C2 237505 [0,1,0,1,0,0|1,0,1]=4 78 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 079037 [0,1,0,1,0,0|1,0,1]=4 79 B14R2.31359 NC(=O)C1=CC=CC2=CC=CC=C21 018890 [0,1,0,1,0,0|1,0,1]=4 80 B14R2.31359 O=C(Cl)C1=CC=CC2=C1C=CC=C2 013172 [0,1,0,1,0,0|1,0,1]=4 81 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 209592 [0,1,0,1,0,0|1,0,1]=4 82 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 019060 [0,1,0,1,0,0|2,0,0]=4