0 B11R1.28 CCC\C=N\C1=CC=CC=C1 SBB055434 [1,0,0,0,0,0|2,0,1]=4 1 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,0,0,0,0,0|2,0,1]=4 2 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 SBB108738 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.28 C=COCCNCC1=CC=CC=C1 SBB010618 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 SBB060754 [0,1,0,0,0,0|1,0,2]=4 7 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 SBB091776 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 SBB060084 [0,0,0,1,0,0|2,0,1]=4 13 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 SBB008518 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.3 C1=CC=C(C2=CC=NC=N2)C=C1 SBB087160 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.3 C1=CC=C(C2=CCCCC2)C=C1 SBB061269 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.3 C1=CC=C(C2=CCNCC2)C=C1 SBB003589 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 SBB048410 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.15 NC1=NNC=C1C2=CC=CC=C2 SBB028333 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.15 O=C1OCCN1C2=CC=CC=C2 SBB008146 [0,0,0,1,0,0|1,0,1]=3 20 B13R2.1613 O=CC1=C2C=CC=CC2=CC=N1 SBB066348 [0,0,0,1,0,0|2,0,0]=3 21 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 SBB027271 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.1613 O=CC1=C2C=CN=CC2=CC=C1 SBB050935 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.1613 O=CC1=C2N=CC=CC2=CC=C1 SBB010129 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.1613 O=CC1=CC=CC2=C1C=CC=C2 SBB040200 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 SBB004008 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 SBB087204 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,1]=3 28 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 ClC\C=C\C1=CC=CC=C1 SBB040602 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.17 N#C\C=C\C1=CC=CC=C1 SBB060940 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|0,0,0]=2 37 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,0]=2 38 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [2,0,0,0,0,0|0,0,2]=4 39 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|0,0,2]=4 40 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|0,0,0]=2 42 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 SBB058222 [1,1,0,0,0,0|0,0,2]=4 43 B12R1.30 O=C(\C=C\O[Na])C1=CC=CC=C1 SBB017286 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [1,1,0,0,0,0|1,0,1]=4 45 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [1,1,0,0,0,0|0,0,1]=3 47 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [1,1,0,0,0,0|0,0,2]=4 48 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 SBB087692 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [1,1,0,0,0,0|0,0,2]=4 50 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [1,1,0,0,0,0|0,0,2]=4 52 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [1,1,0,0,0,0|1,0,1]=4 58 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,2,0,0,0,0|1,0,1]=4 59 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 SBB050152 [0,2,0,0,0,0|2,0,0]=4 60 B14R1.422 NC(=O)N\N=C\C=C\C1=CC=CC=C1 SBB028653 [0,2,0,0,0,0|1,0,1]=4 61 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 SBB053595 [0,2,0,0,0,0|1,0,0]=3 62 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,2,0,0,0,0|1,0,1]=4 63 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,2,0,0,0,0|1,0,0]=3 64 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 SBB006920 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 SBB004120 [1,0,0,1,0,0|1,0,1]=4 66 B12R2.1 O=CC1=CSC2=CC=CC=C12 SBB052322 [1,0,0,1,0,0|1,0,1]=4 67 B12R2.2 C1=CC=C(C2=CNC=N2)C=C1 SBB086348 [1,0,0,1,0,0|2,0,0]=4 68 B12R2.1081 BrC1=C2C=CC=CC2=CC=C1 SBB060210 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.1081 CC1=C2C=CC=CC2=CC=C1 SBB060401 [1,0,0,1,0,0|1,0,1]=4 70 B12R2.1081 CC1=NC=CC2=CC=CC=C21 SBB056020 [1,0,0,1,0,0|2,0,0]=4 71 B12R2.1081 ClC1=C2C=CC=CC2=CC=C1 SBB060227 [1,0,0,1,0,0|1,0,1]=4 72 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 SBB059626 [1,0,0,1,0,0|2,0,0]=4 73 B12R2.1081 FC1=CC=CC2=C1C=CC=C2 SBB086490 [1,0,0,1,0,0|1,0,1]=4 74 B12R2.1081 NC1=C2C=CC=CC2=CC=C1 SBB040451 [1,0,0,1,0,0|1,0,1]=4 75 B12R2.1081 NC1=NC=CC2=C1C=CC=C2 SBB004129 [1,0,0,1,0,0|2,0,0]=4 76 B12R2.1081 O=C1C=COC2=C1C=CC=C2 SBB086467 [1,0,0,1,0,0|1,0,1]=4 77 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [1,0,0,1,0,0|0,0,2]=4 78 B12R2.1081 O=C1CCOC2=CC=CC=C12 SBB056286 [1,0,0,1,0,0|1,0,1]=4 79 B12R2.1081 O=C1NC=NC2=CC=CC=C12 SBB039928 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.1081 O=C1NN=CC2=CC=CC=C12 SBB080598 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.1081 OC1=CC=CC2=CC=CC=C12 SBB040845 [1,0,0,1,0,0|0,0,2]=4 82 B12R2.1081 OC1=NC=CC2=CC=CC=C21 SBB004122 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.1081 SC1=NC=CC2=CC=CC=C21 SBB046002 [1,0,0,1,0,0|1,1,0]=4 84 B14R2.269 NC1=CC(N2CCOC2=O)=CC=C1 SBB072662 [0,1,0,1,0,0|1,0,1]=4 85 B14R2.269 O=C1OCCN1C2=CC(O)=CC=C2 SBB017855 [0,1,0,1,0,0|1,0,1]=4 86 B14R2.926 NC1=C(C2=CC=C(Cl)C=C2)C=NO1 SBB019043 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.926 O=C1OCCN1C2=CC=C(O)C=C2 SBB050293 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.7150 O=CNC1=C2C=CC=CC2=CC=C1 SBB069463 [0,1,0,1,0,0|1,0,1]=4 89 B14R2.203 OC1=CC=C2C=CC=CC2=C1C=O SBB003835 [0,1,0,1,0,0|1,0,1]=4 90 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 SBB055770 [0,1,0,1,0,0|0,0,1]=3 91 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,1,0,1,0,0|0,0,2]=4 92 B14R2.277 O=C1CNC(=O)N1C2=CC=CC=C2 SBB035891 [0,1,0,1,0,0|2,0,0]=4 93 B14R2.277 O=C1CSC(=O)N1C2=CC=CC=C2 SBB035847 [0,1,0,1,0,0|1,1,0]=4 94 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,1,0,1,0,0|1,0,1]=4 95 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 SBB017976 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 SBB060390 [0,1,0,1,0,0|1,0,1]=4 97 B14R2.31359 CC(=O)C1=CC=CC2=C1C=CC=C2 SBB040260 [0,1,0,1,0,0|1,0,1]=4 98 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 SBB028366 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.31359 O=C(Cl)C1=C2C=CC=CC2=CC=C1 SBB006741 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=C1 SBB058382 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 SBB028486 [0,1,0,1,0,0|2,0,0]=4 102 B14R2.296 NC1=C(N2CCOC2=O)C=CC=C1 SBB050375 [0,1,0,1,0,0|1,0,1]=4