0 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.1 N1N=C(C)C2=CC=CN=C21 SBB085837 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 NC1CCC2=C1C=CC=C2 SBB004212 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [0,0,0,0,0,0|2,0,1]=3 4 B11R2.1 O=C1CCC2=CC=CC=C12 SBB056339 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [0,0,0,0,0,0|2,0,0]=2 6 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [1,0,0,0,0,0|2,0,0]=3 7 B10R2.7 C1=CC=C2COCC2=C1 SBB068697 [1,0,0,0,0,0|3,0,0]=4 8 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [1,0,0,0,0,0|3,0,0]=4 9 B10R2.7 N1CCC2=C1C=CC=C2 SBB004291 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.18 NC1C2=CC=CC=C2CC1O SBB052066 [0,1,0,0,0,0|3,0,0]=4 11 B12R2.18 NC1CC2=CC=CC=C2C1O SBB052067 [0,1,0,0,0,0|3,0,0]=4 12 B12R2.18 OC1C2=C(C=CC=C2)CC1Br SBB058660 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.18 O[C@H]1CC2=C(C=CC=C2)[C@H]1N SBB006600 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 SBB067569 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.2028 OC1CC(O)C2=CC=CC=C21 SBB056381 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [0,0,1,0,0,0|3,0,0]=4 18 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [0,0,1,0,0,0|3,0,0]=4 19 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,0,1,0,0,0|2,0,0]=3 20 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [0,0,1,0,0,0|3,0,0]=4 25 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [0,0,1,0,0,0|2,0,0]=3 26 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [0,0,1,0,0,0|2,0,0]=3 32 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [0,0,1,0,0,0|2,0,0]=3 33 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [0,0,1,0,0,0|2,0,1]=4 35 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [0,0,1,0,0,0|2,0,0]=3 37 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [0,0,1,0,0,0|3,0,0]=4 38 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [0,0,1,0,0,0|3,0,0]=4 39 B10R1.20 CCC1=C(CC)N=CC=N1 SBB058452 [0,0,1,0,0,0|0,0,0]=1 40 B10R1.20 CNC1=NC=CC=C1CO SBB054793 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.61 CC(=O)C1=C(C)N=CC=N1 SBB005785 [0,0,1,0,0,0|1,0,1]=3 42 B10R1.61 CC(C)C1=C(Br)C=CC=C1 SBB092412 [0,0,1,0,0,0|3,0,0]=4 43 B10R1.61 CC(C)C1=C(N)C=CC=C1 SBB040455 [0,0,1,0,0,0|3,0,0]=4 44 B12R2.24 CC1=CC=C2N=CC=NC2=C1 SBB086354 [0,0,0,0,0,1|0,0,3]=4 45 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,0,0,1|2,0,0]=3 46 B12R2.24 CC1CNC2=C(C=CC=C2)S1 SBB048277 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.24 CC1CNC2=CC=CC=C2O1 SBB080829 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 SBB056024 [0,0,0,0,0,1|0,0,3]=4 51 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [0,0,0,0,0,1|3,0,0]=4 52 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [0,0,0,0,0,1|3,0,0]=4 53 B12R2.1081 NC1CCOC2=CC=CC=C21 SBB042737 [0,0,0,0,0,1|3,0,0]=4 54 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,0,0,1|3,0,0]=4 55 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [1,0,1,0,0,0|1,0,1]=4 57 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,0,1,0,0,0|2,0,0]=4 58 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,0,1,0,0,0|2,0,0]=4 59 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,0,1,0,0,0|2,0,0]=4 60 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [1,0,1,0,0,0|2,0,0]=4 61 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [1,0,1,0,0,0|2,0,0]=4 62 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [1,0,1,0,0,0|2,0,0]=4 63 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [1,0,1,0,0,0|1,0,0]=3 65 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [1,0,1,0,0,0|2,0,0]=4 72 B9R1.15 CC1=CC=CN=C1CN SBB052454 [1,0,1,0,0,0|2,0,0]=4 73 B9R1.15 CCC1=CC=CC=C1C SBB061450 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.15 COC1=NC=CN=C1N SBB051948 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.15 CSC1=C(C)N=CC=N1 SBB008573 [1,0,1,0,0,0|1,0,0]=3 76 B9R1.14 O\N=C1\CCC\C1=N\O SBB060803 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.7 CCC(C)(C)C1=CC=CC=C1 SBB060977 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.12 CCC(CC)C1=CC=CC=C1 SBB060456 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.12 CCC(CN)C1=CC=CC=C1 SBB073168 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.16 CC(CCN)C1=CC=CC=C1 SBB085501 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.16 CN(CCO)C1=NC=CC=C1 SBB017928 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.16 CNCC(C)C1=CC=CC=C1 SBB028094 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.222 CCC(C)C1=CC=CC=C1N SBB061726 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.222 CCC(C)C1=CC=CC=C1O SBB061123 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.1 CCCCC1=CC=C(Cl)C=C1 SBB116909 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.1 CCCCC1=CC=C(N)C=C1 SBB008298 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.1 CCCCC1=CC=C(O)C=C1 SBB059153 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.1 CCCCC1=CN=C(Cl)N=C1 SBB059368 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,1,1,0,0,0|1,0,1]=4 96 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,1,1,0,0,0|1,0,0]=3 97 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [0,1,1,0,0,0|1,0,0]=3 101 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.37 CCC1=C(CC)N=C(C)C=N1 SBB057797 [0,1,1,0,0,0|0,0,0]=2 104 B11R1.53 CCC1=NC=CN=C1C(C)=O SBB067086 [0,1,1,0,0,0|0,0,1]=3 105 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB059023 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 SBB073013 [0,1,1,0,0,0|2,0,0]=4 107 B11R2.10 NC1CC2=C(C=CC=C2)C1 SBB003858 [1,1,0,0,0,0|2,0,0]=4 108 B11R2.10 NC1CC2=CC=CC=C2C1 SBB052059 [1,1,0,0,0,0|2,0,0]=4 109 B11R2.10 OC1CC2=C(C=CC=C2)C1 SBB061554 [1,1,0,0,0,0|2,0,0]=4 110 B11R2.36 NC1=CC2=C(C=C1)CCC2 SBB028245 [1,1,0,0,0,0|2,0,0]=4 111 B11R2.36 NC1=NC=C2CCCC2=N1 SBB027145 [1,1,0,0,0,0|2,0,0]=4 112 B11R2.36 O=C1C=C2CCCC2=NN1 SBB012872 [1,1,0,0,0,0|2,0,0]=4 113 B13R2.32 CC1CCC2=CC=CC=C2C1=O SBB067641 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.57 BrCC1CCC2=CC=CC=C2O1 SBB054977 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.222 CC1(C)CCC2=C(C=CC=C2)O1 SBB087638 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 SBB054591 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 SBB008494 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.1613 NCC1NCCC2=C1C=CC=C2 SBB001529 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.1613 NCC1OCCC2=CC=CC=C21 SBB050938 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.1613 OCC1OCCC2=CC=CC=C21 SBB014270 [0,1,0,0,0,1|2,0,0]=4 121 B11R2.20 C1=CC2=C(C=C1)CCCC2 SBB060619 [0,0,1,1,0,0|2,0,0]=4 122 B9R1.11 CC(CN)N1C=CC=N1 SBB025921 [0,0,1,0,1,0|2,0,0]=4 123 B9R1.11 CC(CN)N1C=NC=N1 SBB014435 [0,0,1,0,1,0|2,0,0]=4 124 B9R1.11 CC(CO)N1C=CC=N1 SBB046541 [0,0,1,0,1,0|2,0,0]=4 125 B9R1.11 CCC(C)N1C=CC=N1 SBB025131 [0,0,1,0,1,0|1,0,0]=3 126 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,0,1,0,1,0|2,0,0]=4 127 B9R1.11 CNC(C)C1=CC=CO1 SBB302114 [0,0,1,0,1,0|2,0,0]=4 128 B9R1.41 CC(C)C1=NNC=C1I SBB073957 [0,0,1,0,1,0|2,0,0]=4 129 B9R1.41 CC(C)N1N=CC=C1Br SBB116416 [0,0,1,0,1,0|2,0,0]=4 130 B9R1.41 CC(C)N1N=CC=C1N SBB007272 [0,0,1,0,1,0|2,0,0]=4 131 B9R1.41 CC(N)C1=CC=NN1C SBB023362 [0,0,1,0,1,0|2,0,0]=4 132 B9R1.41 CC(N)C1=NC=NN1C SBB074231 [0,0,1,0,1,0|2,0,0]=4 133 B9R2.3 C1=CN2CCCC2=N1 SBB056323 [1,0,0,0,1,0|1,0,0]=3 134 B9R2.3 C1=NNC2=C1CCC2 SBB027122 [1,0,0,0,1,0|1,0,1]=4 135 B11R1.86 CC1=CC=CC=C1OC(C)C SBB079028 [0,0,1,0,0,1|2,0,0]=4