0 B9R1.8 BrCCC1=CC=CC=C1 SBB059945 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 BrCCC1=NC=CC=C1 SBB014931 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCCC1=CC=CC=C1 SBB061210 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CCNC1=CC=CC=C1 SBB058818 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 CNCC1=CC=CC=C1 SBB073015 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 CNCC1=CC=CN=C1 SBB052430 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 CNCC1=NC=CC=C1 SBB052457 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.8 CNCC1=NC=CN=C1 SBB014431 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 COCC1=CC=CC=C1 SBB063549 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 ClCCC1=NC=CC=C1 SBB014886 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 N#CCC1=CC=CC=C1 SBB058386 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.8 N#CCC1=CC=CN=C1 SBB027148 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.8 N#CCC1=NC=CC=C1 SBB049639 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.8 NCCC1=CC=CC=C1 SBB058801 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 NCCC1=CC=CN=C1 SBB028204 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 NCCC1=CC=CN=C1 SBB052465 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.8 NCCC1=CC=NC=C1 SBB014221 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.8 NCCC1=NC=CC=C1 SBB028206 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 NCCC1=NC=CN=C1 SBB010197 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.8 NNCC1=CC=CC=C1 SBB063024 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.8 NOCC1=CC=CC=C1 SBB003971 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.8 NOCC1=CC=CC=C1 SBB032957 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.8 O=CCC1=CC=CC=C1 SBB061710 [0,0,0,0,0,0|2,1,1]=4 23 B9R1.8 OCCC1=CC=CC=C1 SBB040879 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.8 O\N=C\C1=CC=CN=C1 SBB004285 [0,0,0,0,0,0|2,1,1]=4 25 B9R1.8 O\N=C\C1=NC=CC=C1 SBB004284 [0,0,0,0,0,0|2,1,1]=4 26 B9R1.8 SCCC1=CC=NC=C1 SBB065275 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.8 SCCC1=NC=CN=C1 SBB067078 [0,0,0,0,0,0|0,0,0]=0 28 B8R1.2 BrCC1=NC=CC=C1 SBB054926 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 C#CC1=CC=CC=N1 SBB006619 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.2 C#CC1=CC=CN=C1 SBB065464 [1,0,0,0,0,0|1,0,2]=4 31 B8R1.2 C=CC1=NC=CN=C1 SBB055880 [1,0,0,0,0,0|0,0,2]=3 32 B8R1.2 CCC1=CC=CC=C1 SBB040891 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.2 CCC1=CC=CC=N1 SBB060373 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 CCC1=CC=NC=C1 SBB061128 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.2 CCC1=CN=CC=C1 SBB060374 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.2 CNC1=CC=CC=C1 SBB008162 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 CNC1=CC=CC=C1 SBB059778 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CNC1=NC=CN=C1 SBB018751 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 CSC1=NN=CC=N1 SBB085690 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 ClCC1=NC=CC=C1 SBB054925 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 N#CC1=CC=CN=C1 SBB007554 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 N#CC1=NC=CC=C1 SBB008920 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 N#CC1=NC=CN=C1 SBB055876 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 NCC1=CC=CC=C1 SBB040473 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 NCC1=CC=CN=C1 SBB004351 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 NCC1=NC=CC=C1 SBB004352 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.2 NCC1=NC=CN=C1 SBB014584 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 NCC1=NC=NC=C1 SBB086444 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 O=CC1=CC=CN=C1 SBB004359 [1,0,0,0,0,0|1,1,1]=4 50 B8R1.2 O=CC1=NC=CC=C1 SBB004358 [1,0,0,0,0,0|1,1,1]=4 51 B8R1.2 O=CC1=NC=CN=C1 SBB052318 [1,0,0,0,0,0|0,1,1]=3 52 B8R1.2 OCC1=CC=CC=C1 SBB058558 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.2 OCC1=CC=CN=C1 SBB004344 [1,0,0,0,0,0|1,1,0]=3 54 B8R1.2 OCC1=CC=CN=N1 SBB054829 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.2 OCC1=CN=CN=C1 SBB065691 [1,0,0,0,0,0|2,1,0]=4 56 B8R1.2 OCC1=NC=CC=C1 SBB004348 [1,0,0,0,0,0|1,1,0]=3 57 B8R1.2 OCC1=NC=CN=C1 SBB054824 [1,0,0,0,0,0|0,1,0]=2 58 B8R1.2 OCC1=NC=NC=C1 SBB054828 [1,0,0,0,0,0|2,1,0]=4 59 B8R1.2 [NH+]1=CC=CC(CCl)=C1 SBB061738 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.1 CCCC1=CC=C(N)C=C1 SBB008337 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.1 CCCC1=CC=C(O)C=C1 SBB055506 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.1 CCCC1=CN=C(Cl)N=C1 SBB054517 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.1 CCCC1=CN=C(S)N=C1 SBB066482 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.1 CCOC1=NC=C(Br)C=C1 SBB054264 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.1 FC1=CC=C(CCCl)C=C1 SBB087329 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.1 NC1=CC=C(CCO)C=C1 SBB042772 [0,1,0,0,0,0|2,1,0]=4 67 B10R1.1 NCCC1=CC=C(F)C=C1 SBB003787 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.1 NCCC1=CC=C(F)C=C1 SBB058811 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.1 NCCC1=CC=C(O)C=C1 SBB003808 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.1 OCCC1=CC=C(Br)C=C1 SBB055082 [0,1,0,0,0,0|2,1,0]=4 71 B10R1.1 OCCC1=CC=C(F)C=C1 SBB086156 [0,1,0,0,0,0|2,1,0]=4 72 B10R1.1 OCCC1=CC=C(O)C=C1 SBB086008 [0,1,0,0,0,0|2,1,0]=4 73 B10R1.4 CCCC1=CC=CC=C1N SBB085906 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.4 CCOC1=C(N)N=CC=C1 SBB014971 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.4 FC1=C(CCBr)C=CC=C1 SBB018050 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.4 OCCC1=C(F)C=CC=C1 SBB086155 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.10 CNCC1=NC(C)=CC=C1 SBB110044 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.10 OCCC1=CC(F)=CC=C1 SBB055447 [0,1,0,0,0,0|2,1,0]=4 79 B10R1.15 BrCC(Br)C1=CC=CC=C1 SBB058656 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.15 CC(CN)C1=CC=CC=C1 SBB028247 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.15 CC(CO)C1=CC=CC=C1 SBB007853 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.15 CCC(Br)C1=CC=CC=C1 SBB060201 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.15 CCC(C)C1=CC=CC=C1 SBB060615 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.15 CCC(N)C1=CC=CC=C1 SBB029878 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.15 CCC(N)C1=CC=CC=C1 SBB080382 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.15 CCC(O)C1=CC=CC=C1 SBB058750 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.15 COC(=O)C1=NC=CN=C1 SBB053939 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.15 C[C@H](CN)C1=CC=CC=C1 SBB052360 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.15 ClCC(Cl)C1=CC=CC=C1 SBB007931 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.15 NCC(O)C1=CC=CC=C1 SBB063224 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.15 NNC(=O)C1=CN=CC=N1 SBB005150 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SBB006667 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.15 N\C(=N/O)C1=NC=CN=C1 SBB055895 [0,1,0,0,0,0|1,1,1]=4 94 B10R1.15 O=C(CBr)C1=CN=CC=C1 SBB005582 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.15 O=C(CBr)C1=NC=CC=C1 SBB005581 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.15 OCC(O)C1=CC=CC=C1 SBB063119 [0,1,0,0,0,0|2,1,0]=4 97 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SBB064282 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [0,1,0,0,0,0|2,1,0]=4 102 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.17 N#CCCC1=NC=CC=C1 SBB018592 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.17 NCCSC1=NC=CC=C1 SBB050976 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [0,1,0,0,0,0|2,1,0]=4 121 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [0,1,0,0,0,0|2,1,0]=4 122 B10R1.18 CC(N)CC1=CC=CC=N1 SBB025629 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.18 CC(N)CC1=CN=CC=N1 SBB025636 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.18 N=C(N)CC1=CC=CC=N1 SBB019209 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.18 N=C(N)CC1=CC=CN=C1 SBB019447 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,1,0,0,0,0|1,1,1]=4 127 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,1,0,0,0,0|1,1,1]=4 128 B10R2.7 C1=CC2=C(C=C1)CCC2 SBB060083 [0,0,0,1,0,0|3,0,0]=4 129 B10R2.7 C1=CC=C2OCCC2=C1 SBB056038 [0,0,0,1,0,0|2,1,0]=4 130 B10R2.7 C1=CC=C2SCNC2=C1 SBB017116 [0,0,0,1,0,0|3,0,0]=4 131 B10R2.7 C1=CN=C2SC=NC2=C1 SBB056308 [0,0,0,1,0,0|2,0,1]=4 132 B10R2.7 N1CCC2=C1C=CC=C2 SBB004291 [0,0,0,1,0,0|3,0,0]=4 133 B8R1.8 BrCCN1C=CC=N1 SBB051197 [0,0,0,0,1,0|2,0,0]=3 134 B8R1.8 CCCC1=CC=CS1 SBB073407 [0,0,0,0,1,0|2,0,0]=3 135 B8R1.8 CCCC1=NC=CS1 SBB055797 [0,0,0,0,1,0|2,0,0]=3 136 B8R1.8 CCCN1C=CC=N1 SBB024228 [0,0,0,0,1,0|2,0,0]=3 137 B8R1.8 CCCN1C=CN=C1 SBB073424 [0,0,0,0,1,0|2,0,0]=3 138 B8R1.8 CNCC1=CC=CO1 SBB079004 [0,0,0,0,1,0|3,0,0]=4 139 B8R1.8 CNCC1=CC=NN1 SBB023948 [0,0,0,0,1,0|3,0,0]=4 140 B8R1.8 ClCCC1=CNN=C1 SBB073776 [0,0,0,0,1,0|2,0,0]=3 141 B8R1.8 ClCCC1=NNN=N1 SBB002506 [0,0,0,0,1,0|3,0,0]=4 142 B8R1.8 ClCCN1C=CC=N1 SBB022467 [0,0,0,0,1,0|2,0,0]=3 143 B8R1.8 ClCCN1C=CN=C1 SBB005584 [0,0,0,0,1,0|2,0,0]=3 144 B8R1.8 N#CCC1=CC=CS1 SBB055746 [0,0,0,0,1,0|2,0,1]=4 145 B8R1.8 N#CCC1=CSC=C1 SBB058364 [0,0,0,0,1,0|2,0,1]=4 146 B8R1.8 N#CCN1C=CC=N1 SBB022524 [0,0,0,0,1,0|2,0,1]=4 147 B8R1.8 N#CCN1C=CN=C1 SBB047443 [0,0,0,0,1,0|2,0,1]=4 148 B8R1.8 N#CCN1C=NC=N1 SBB056169 [0,0,0,0,1,0|2,0,1]=4 149 B8R1.8 NCCC1=CC=CO1 SBB013333 [0,0,0,0,1,0|2,0,0]=3 150 B8R1.8 NCCC1=CC=CS1 SBB013250 [0,0,0,0,1,0|2,0,0]=3 151 B8R1.8 NCCC1=CC=CS1 SBB013650 [0,0,0,0,1,0|2,0,0]=3 152 B8R1.8 NCCC1=CNC=N1 SBB003722 [0,0,0,0,1,0|1,0,1]=3 153 B8R1.8 NCCC1=CNC=N1 SBB012708 [0,0,0,0,1,0|1,0,1]=3 154 B8R1.8 NCCC1=CNN=C1 SBB018789 [0,0,0,0,1,0|2,0,0]=3 155 B8R1.8 NCCC1=CSC=C1 SBB109999 [0,0,0,0,1,0|2,0,0]=3 156 B8R1.8 NCCC1=NC=CS1 SBB046047 [0,0,0,0,1,0|2,0,0]=3 157 B8R1.8 NCCC1=NC=NN1 SBB074373 [0,0,0,0,1,0|2,0,0]=3 158 B8R1.8 NCCN1C=CC=N1 SBB007087 [0,0,0,0,1,0|2,0,0]=3 159 B8R1.8 NCCN1C=CN=C1 SBB026490 [0,0,0,0,1,0|2,0,0]=3 160 B8R1.8 NCCN1C=NC=N1 SBB042070 [0,0,0,0,1,0|2,0,0]=3 161 B8R1.8 OCCC1=CC=CS1 SBB062831 [0,0,0,0,1,0|1,1,0]=3 162 B8R1.8 OCCC1=CNN=C1 SBB020248 [0,0,0,0,1,0|1,1,0]=3 163 B8R1.8 OCCC1=NNN=N1 SBB002505 [0,0,0,0,1,0|2,1,0]=4 164 B8R1.8 OCCN1C=CC=N1 SBB022466 [0,0,0,0,1,0|1,1,0]=3 165 B8R1.8 OCCN1C=CN=C1 SBB059127 [0,0,0,0,1,0|1,1,0]=3 166 B7R1.3 BrC1=CC=CN=C1 SBB003998 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 BrC1=NC=CC=C1 SBB003999 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 BrC1=NC=CN=C1 SBB087333 [2,0,0,0,0,0|1,0,0]=3 169 B7R1.3 CC1=CN=CC=N1 SBB060830 [2,0,0,0,0,0|0,0,0]=2 170 B7R1.3 ClC1=NC=CC=C1 SBB079180 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.3 FC1=CC=CN=C1 SBB054315 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.3 FC1=NC=CC=C1 SBB062911 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.3 IC1=CC=CN=C1 SBB054246 [2,0,0,0,0,0|2,0,0]=4 174 B7R1.3 IC1=NC=CC=C1 SBB054364 [2,0,0,0,0,0|2,0,0]=4 175 B7R1.3 IC1=NC=CN=C1 SBB093563 [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 NC1=CC=CC=N1 SBB004394 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 NC1=CN=CC=C1 SBB004395 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 NC1=CN=CC=N1 SBB004388 [2,0,0,0,0,0|1,0,0]=3 179 B7R1.3 NC1=NN=CC=N1 SBB004379 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.3 OC1=CC=CC=N1 SBB004392 [2,0,0,0,0,0|1,1,0]=4 181 B7R1.3 OC1=CN=CC=C1 SBB004391 [2,0,0,0,0,0|1,1,0]=4 182 B7R1.3 SC1=CC=CC=N1 SBB058593 [2,0,0,0,0,0|1,0,0]=3 183 B7R1.3 SC1=NC=CC=N1 SBB007595 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.1 CC1=CC=C(CS)C=C1 SBB086032 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.1 CC1=CN=C(CN)C=N1 SBB052489 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.1 CCC1=CC=C(Br)C=C1 SBB054183 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.1 CCC1=CC=C(Br)C=C1 SBB060979 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.1 CCC1=CC=C(C)N=C1 SBB060375 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.1 CCC1=CC=C(F)C=C1 SBB085565 [1,1,0,0,0,0|2,0,0]=4 190 B9R1.1 CCC1=CC=C(N)C=C1 SBB040445 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.1 CCC1=CC=C(O)C=C1 SBB057513 [1,1,0,0,0,0|2,0,0]=4 192 B9R1.1 COC1=CC=C(Br)C=N1 SBB059393 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.1 COC1=CN=C(N)C=N1 SBB069821 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.1 COC1=NC=C(F)C=C1 SBB085672 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.1 COC1=NC=C(N)C=C1 SBB016584 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 ClCC1=CN=C(Cl)C=C1 SBB003948 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.1 N#CC1=NC=C(N)N=C1 SBB055885 [1,1,0,0,0,0|1,0,1]=4 198 B9R1.1 NC1=CC=C(CO)C=N1 SBB085554 [1,1,0,0,0,0|1,1,0]=4 199 B9R1.1 NCC1=CC=C(Cl)N=C1 SBB049618 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 NCC1=CC=C(N)N=C1 SBB052464 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 OCC1=CC=C(F)N=C1 SBB065619 [1,1,0,0,0,0|1,1,0]=4 202 B9R1.1 OCC1=CN=C(Cl)C=C1 SBB054780 [1,1,0,0,0,0|1,1,0]=4 203 B9R1.1 OCC1=NC=C(Br)C=C1 SBB065294 [1,1,0,0,0,0|1,1,0]=4 204 B9R1.1 OCC1=NC=C(Cl)C=C1 SBB086303 [1,1,0,0,0,0|1,1,0]=4 205 B9R1.1 SCC1=CC=C(Br)C=C1 SBB067614 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.2 CC1=CC(CN)=NC=C1 SBB052434 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.2 CC1=CC=CC(CBr)=N1 SBB070747 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.2 CC1=CC=CC(CN)=N1 SBB079460 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.2 CC1=CC=CC(CO)=N1 SBB065460 [1,1,0,0,0,0|1,1,0]=4 210 B9R1.2 CC1=CC=CC(CS)=C1 SBB086034 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 CCC1=CC(C)=CC=C1 SBB061286 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 CCC1=CC(C)=CC=C1 SBB061444 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.2 CCC1=CC=CC(Br)=C1 SBB090239 [1,1,0,0,0,0|2,0,0]=4 214 B9R1.2 CCC1=CN=CC(Br)=C1 SBB054407 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.2 CCC1=NC(N)=CC=C1 SBB028205 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.2 COC1=CC=CC(Br)=N1 SBB054383 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.2 COC1=CC=CC(F)=N1 SBB085671 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.2 COC1=CC=CC(N)=N1 SBB051862 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.2 COC1=CN=CC(Br)=C1 SBB054402 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.2 COC1=NC=CC(Br)=C1 SBB054328 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.2 COC1=NC=CC(N)=C1 SBB051798 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.2 ClCC1=CC(Br)=CN=C1 SBB054923 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 NCC1=CC(Br)=CN=C1 SBB090527 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 OCC1=CC(Br)=CN=C1 SBB065467 [1,1,0,0,0,0|1,1,0]=4 225 B9R1.2 OCC1=CC(Cl)=CC=N1 SBB065656 [1,1,0,0,0,0|1,1,0]=4 226 B9R1.2 OCC1=NC(Cl)=CC=C1 SBB054794 [1,1,0,0,0,0|1,1,0]=4 227 B9R1.6 CC(=O)C1=CN=CC=C1 SBB040255 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.6 CC(=O)C1=CN=CC=N1 SBB006738 [1,1,0,0,0,0|0,0,1]=3 229 B9R1.6 CC(=O)C1=NC=CC=C1 SBB058824 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.6 CC(Br)C1=CC=CC=C1 SBB040667 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.6 CC(C)C1=CC=CC=C1 SBB040817 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.6 CC(Cl)C1=CC=CC=C1 SBB007671 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.6 CC(N)C1=CC=CC=C1 SBB040514 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.6 CC(N)C1=CN=CC=C1 SBB027288 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.6 CC(N)C1=NC=CC=C1 SBB018707 [1,1,0,0,0,0|1,0,0]=3 236 B9R1.6 CC(O)C1=CC=CC=C1 SBB058702 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.6 C[C@H](N)C1=CC=CC=C1 SBB051709 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.6 N=C(N)C1=NC=CN=C1 SBB055879 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.6 NC(=O)C1=CN=CC=N1 SBB004276 [1,1,0,0,0,0|0,1,1]=4 240 B9R1.6 NC(=S)C1=CN=CC=N1 SBB028262 [1,1,0,0,0,0|0,0,2]=4 241 B9R1.6 O=C(Cl)C1=CN=CC=N1 SBB010290 [1,1,0,0,0,0|0,1,1]=4 242 B9R1.6 O=C(O)C1=NC=CN=C1 SBB000051 [1,1,0,0,0,0|0,1,1]=4 243 B9R1.15 BrCC1=CC=CN=C1Br SBB070876 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.15 CC1=C(CBr)N=CC=C1 SBB021212 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.15 CC1=CC=CC=C1CS SBB086035 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.15 CC1=CC=CN=C1CN SBB052454 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.15 CCC1=C(N)C=CC=C1 SBB040452 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.15 CCC1=CC=CC=C1C SBB061450 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.15 COC1=C(I)N=CC=C1 SBB098345 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.15 COC1=CC=CN=C1Br SBB005633 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.15 COC1=CC=CN=C1N SBB051907 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.15 COC1=CC=CN=C1O SBB046500 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.15 COC1=NC=CN=C1N SBB051948 [1,1,0,0,0,0|1,0,0]=3 254 B9R1.15 CSC1=C(C)N=CC=N1 SBB008573 [1,1,0,0,0,0|1,0,0]=3 255 B9R1.15 CSC1=NC=CC=C1N SBB072554 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.15 N#CC1=NC=CN=C1Cl SBB055887 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.15 NC1=CC=NC=C1CO SBB054791 [1,1,0,0,0,0|1,1,0]=4 258 B9R1.15 NC1=NC=CC=C1CO SBB054786 [1,1,0,0,0,0|1,1,0]=4 259 B9R1.15 OCC1=C(O)C=CC=N1 SBB085588 [1,1,0,0,0,0|1,1,0]=4 260 B9R1.15 OCC1=CC=CN=C1Cl SBB054785 [1,1,0,0,0,0|1,1,0]=4 261 B9R1.15 SCC1=CC=CC=C1Br SBB066540 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.7 CC1=CC=C(CCN)S1 SBB027633 [0,1,0,0,1,0|2,0,0]=4 263 B9R1.7 CC1=CN(CCN)N=C1 SBB021469 [0,1,0,0,1,0|2,0,0]=4 264 B9R1.7 CC1=CN(CCO)N=C1 SBB033466 [0,1,0,0,1,0|1,1,0]=4 265 B9R1.7 CC1=CN=C(CCN)S1 SBB027447 [0,1,0,0,1,0|2,0,0]=4 266 B9R1.7 CC1=CSC(CCN)=N1 SBB044025 [0,1,0,0,1,0|2,0,0]=4 267 B9R1.7 CC1=NN(CCBr)C=C1 SBB014949 [0,1,0,0,1,0|2,0,0]=4 268 B9R1.7 CC1=NN(CCN)C=C1 SBB009659 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.7 CC1=NN(CCO)C=C1 SBB033467 [0,1,0,0,1,0|1,1,0]=4 270 B9R1.7 CC1=NOC(CCN)=N1 SBB050221 [0,1,0,0,1,0|2,0,0]=4 271 B9R1.7 CCCC1=CC(N)=NN1 SBB085612 [0,1,0,0,1,0|2,0,0]=4 272 B9R1.7 CCCC1=NNC(N)=N1 SBB042025 [0,1,0,0,1,0|2,0,0]=4 273 B9R1.7 CCCN1C=C(Br)C=N1 SBB303293 [0,1,0,0,1,0|2,0,0]=4 274 B9R1.7 CCCN1C=C(Cl)C=N1 SBB046647 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.7 CCCN1C=C(I)C=N1 SBB073997 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.7 CCCN1C=C(N)C=N1 SBB025685 [0,1,0,0,1,0|2,0,0]=4 277 B9R1.7 CCCN1C=CC(Br)=N1 SBB116205 [0,1,0,0,1,0|2,0,0]=4 278 B9R1.7 CCCN1C=CC(C)=N1 SBB024160 [0,1,0,0,1,0|2,0,0]=4 279 B9R1.7 CCCN1C=CC(I)=N1 SBB116218 [0,1,0,0,1,0|2,0,0]=4 280 B9R1.7 CCCN1C=CC(N)=N1 SBB022359 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.7 CCCN1C=NC(N)=N1 SBB010251 [0,1,0,0,1,0|2,0,0]=4 282 B9R1.7 CN1C=C(CCCl)C=N1 SBB073778 [0,1,0,0,1,0|2,0,0]=4 283 B9R1.7 CN1C=C(CCN)C=N1 SBB073762 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.7 CN1C=C(CCO)C=N1 SBB026809 [0,1,0,0,1,0|1,1,0]=4 285 B9R1.7 CN1C=CC(CCN)=N1 SBB073919 [0,1,0,0,1,0|2,0,0]=4 286 B9R1.7 CN1C=NC(CCN)=C1 SBB003561 [0,1,0,0,1,0|1,0,1]=4 287 B9R1.7 CN1C=NC(CCN)=C1 SBB116842 [0,1,0,0,1,0|1,0,1]=4 288 B9R1.7 NCCC1=NNC(N)=N1 SBB013221 [0,1,0,0,1,0|2,0,0]=4 289 B9R1.7 NCCN1C=C(Br)C=N1 SBB020912 [0,1,0,0,1,0|2,0,0]=4 290 B9R1.7 NCCN1C=C(Cl)C=N1 SBB020913 [0,1,0,0,1,0|2,0,0]=4 291 B9R1.7 NCCN1C=C(I)C=N1 SBB074290 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.7 NCCN1C=CC(Br)=N1 SBB116202 [0,1,0,0,1,0|2,0,0]=4 293 B9R1.7 OCCN1C=C(Br)C=N1 SBB014946 [0,1,0,0,1,0|1,1,0]=4 294 B9R1.7 OCCN1C=C(Cl)C=N1 SBB022876 [0,1,0,0,1,0|1,1,0]=4 295 B9R1.11 CC(CN)N1C=CC=N1 SBB025921 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.11 CC(CN)N1C=NC=N1 SBB014435 [0,1,0,0,1,0|2,0,0]=4 297 B9R1.11 CC(CO)N1C=CC=N1 SBB046541 [0,1,0,0,1,0|1,1,0]=4 298 B9R1.11 CCC(C)N1C=CC=N1 SBB025131 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.11 CCC(N)C1=CC=CS1 SBB018551 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.12 CCCCN1C=CN=C1 SBB108734 [0,1,0,0,1,0|2,0,0]=4 301 B9R1.12 CCNCC1=CC=CO1 SBB047492 [0,1,0,0,1,0|2,0,0]=4 302 B9R1.12 CNCCC1=CNN=C1 SBB025640 [0,1,0,0,1,0|2,0,0]=4 303 B9R1.12 CSSCC1=CC=CO1 SBB057326 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.12 N#CCCC1=CNN=C1 SBB073777 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.12 N#CCCN1C=CC=N1 SBB022012 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.12 NCCCC1=CC=CO1 SBB047796 [0,1,0,0,1,0|2,0,0]=4 307 B9R1.12 NCCCC1=CNN=C1 SBB010244 [0,1,0,0,1,0|2,0,0]=4 308 B9R1.12 NCCCN1C=CC=N1 SBB017906 [0,1,0,0,1,0|2,0,0]=4 309 B9R1.12 NCCCN1C=CN=C1 SBB028221 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.12 NCCCN1C=NC=N1 SBB018774 [0,1,0,0,1,0|2,0,0]=4 311 B9R1.12 OCCCC1=CNN=C1 SBB073583 [0,1,0,0,1,0|1,1,0]=4 312 B9R1.12 OCCCN1C=CC=N1 SBB022862 [0,1,0,0,1,0|1,1,0]=4 313 B9R1.13 CC(C)CC1=NC=CS1 SBB086212 [0,1,0,0,1,0|2,0,0]=4 314 B9R1.13 CC(C)CN1C=CC=N1 SBB024504 [0,1,0,0,1,0|2,0,0]=4 315 B9R1.13 CC(N)CC1=CC=CO1 SBB010238 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.13 CC(N)CC1=CC=CS1 SBB010287 [0,1,0,0,1,0|2,0,0]=4 317 B9R1.13 CC(N)CN1C=CC=N1 SBB009552 [0,1,0,0,1,0|2,0,0]=4 318 B9R1.13 CC(N)CN1C=CN=C1 SBB013768 [0,1,0,0,1,0|2,0,0]=4 319 B9R1.13 CC(N)CN1C=NC=N1 SBB014434 [0,1,0,0,1,0|2,0,0]=4 320 B9R1.13 CC(O)CN1C=CC=N1 SBB022477 [0,1,0,0,1,0|1,1,0]=4 321 B9R1.13 FC(F)CN1C=CC=N1 SBB024727 [0,1,0,0,1,0|2,0,0]=4 322 B9R1.33 CC1=C(CCN)SC=N1 SBB109128 [0,1,0,0,1,0|2,0,0]=4 323 B9R1.33 CC1=C(CCO)SC=N1 SBB054811 [0,1,0,0,1,0|1,1,0]=4 324 B9R1.33 CC1=CC=NN1CCN SBB009660 [0,1,0,0,1,0|2,0,0]=4 325 B9R1.33 CC1=CC=NN1CCO SBB017907 [0,1,0,0,1,0|1,1,0]=4 326 B9R1.33 CC1=NC=CN1CCN SBB010245 [0,1,0,0,1,0|2,0,0]=4 327 B9R1.33 CCCN1N=CC=C1C SBB024159 [0,1,0,0,1,0|2,0,0]=4 328 B9R1.33 CCCN1N=CC=C1N SBB007271 [0,1,0,0,1,0|2,0,0]=4 329 B9R1.33 CN1C=NC=C1CCN SBB003562 [0,1,0,0,1,0|1,0,1]=4 330 B9R1.33 CN1N=CC=C1CCN SBB073922 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.1 OCCSC1=CC=C(Cl)C=N1 SBB054333 [0,2,0,0,0,0|1,1,0]=4 332 B11R1.83 CCC1=CN=C(CCO)C=C1 SBB055692 [0,2,0,0,0,0|1,1,0]=4 333 B11R1.24 CC1=CC=CC(CCCO)=N1 SBB047991 [0,2,0,0,0,0|1,1,0]=4 334 B11R1.157 CC1=NC(CC(C)O)=CC=C1 SBB025634 [0,2,0,0,0,0|1,1,0]=4 335 B11R1.189 CCCC1=NC=CC(C#N)=C1 SBB071707 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.16 CN(CCO)C1=NC=CC=C1 SBB017928 [0,2,0,0,0,0|1,1,0]=4 337 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [0,2,0,0,0,0|1,1,0]=4 340 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [0,2,0,0,0,0|1,1,0]=4 341 B11R1.40 CNC(C)CC1=CC=CC=N1 SBB025630 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.40 CNC(C)CC1=CN=CC=N1 SBB025635 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,2,0,0,0,0|1,0,1]=4 345 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,2,0,0,0,0|1,1,0]=4 346 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,2,0,0,0,0|1,1,0]=4 347 B9R2.2 C1=CC(C2CC2)=NN1 SBB022440 [0,0,0,1,1,0|2,0,0]=4 348 B9R2.3 C1=CN2CCCC2=N1 SBB056323 [0,0,0,1,1,0|1,0,1]=4 349 B9R2.3 C1=NNC2=C1CCC2 SBB027122 [0,0,0,1,1,0|2,0,0]=4 350 B11R2.20 C1=CC2=C(C=C1)SCCN2 SBB010332 [0,1,0,1,0,0|2,0,0]=4 351 B11R2.1 CC1CCC2=NC=CN=C21 SBB057575 [0,1,0,1,0,0|1,0,0]=3 352 B11R2.1 O=C1CCC2=C1C=CC=N2 SBB056372 [0,1,0,1,0,0|1,1,0]=4 353 B11R2.1 OC1CCC2=C1C=CC=N2 SBB056373 [0,1,0,1,0,0|1,1,0]=4 354 B7R1.1 BrCC1=CSC=C1 SBB070721 [1,0,0,0,1,0|2,0,0]=4 355 B7R1.1 BrCC1=CSC=N1 SBB054932 [1,0,0,0,1,0|2,0,0]=4 356 B7R1.1 CCN1C=CC=N1 SBB020346 [1,0,0,0,1,0|1,0,0]=3 357 B7R1.1 CCN1C=CN=C1 SBB045396 [1,0,0,0,1,0|1,0,0]=3 358 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,0,1,0|2,0,0]=4 359 B7R1.1 CSC1=CSC=C1 SBB055747 [1,0,0,0,1,0|2,0,0]=4 360 B7R1.1 ClCC1=CC=NO1 SBB013787 [1,0,0,0,1,0|2,0,0]=4 361 B7R1.1 ClCC1=CSC=N1 SBB054935 [1,0,0,0,1,0|2,0,0]=4 362 B7R1.1 ClCC1=NOC=C1 SBB013648 [1,0,0,0,1,0|2,0,0]=4 363 B7R1.1 ClCC1=NOC=N1 SBB005592 [1,0,0,0,1,0|2,0,0]=4 364 B7R1.1 NCC1=CC=CO1 SBB004376 [1,0,0,0,1,0|2,0,0]=4 365 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,0,1,0|2,0,0]=4 366 B7R1.1 NCC1=CN=CS1 SBB047473 [1,0,0,0,1,0|2,0,0]=4 367 B7R1.1 NCC1=CNN=C1 SBB026489 [1,0,0,0,1,0|2,0,0]=4 368 B7R1.1 NCC1=CSC=C1 SBB079179 [1,0,0,0,1,0|2,0,0]=4 369 B7R1.1 NCC1=CSC=N1 SBB047472 [1,0,0,0,1,0|2,0,0]=4 370 B7R1.1 NCC1=NC=CN1 SBB013485 [1,0,0,0,1,0|1,0,1]=4 371 B7R1.1 NCC1=NC=CN1 SBB052487 [1,0,0,0,1,0|1,0,1]=4 372 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,0,1,0|2,0,0]=4 373 B7R1.1 NCC1=NNC=C1 SBB020888 [1,0,0,0,1,0|2,0,0]=4 374 B7R1.1 NCC1=NOC=N1 SBB052491 [1,0,0,0,1,0|2,0,0]=4 375 B7R1.1 OCC1=CC=CO1 SBB004373 [1,0,0,0,1,0|1,1,0]=4 376 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,0,1,0|1,1,0]=4 377 B7R1.1 OCC1=CC=NN1 SBB014141 [1,0,0,0,1,0|1,1,0]=4 378 B7R1.1 OCC1=CN=CS1 SBB066375 [1,0,0,0,1,0|1,1,0]=4 379 B7R1.1 OCC1=CNC=N1 SBB004207 [1,0,0,0,1,0|0,1,1]=4 380 B7R1.1 OCC1=CNC=N1 SBB054821 [1,0,0,0,1,0|0,1,1]=4 381 B7R1.1 OCC1=CNN=C1 SBB073660 [1,0,0,0,1,0|1,1,0]=4 382 B7R1.1 OCC1=CSC=C1 SBB004309 [1,0,0,0,1,0|1,1,0]=4 383 B7R1.1 OCC1=CSC=N1 SBB066562 [1,0,0,0,1,0|1,1,0]=4 384 B7R1.1 OCC1=NC=CN1 SBB054820 [1,0,0,0,1,0|0,1,1]=4 385 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,0,1,0|1,1,0]=4 386 B7R1.1 SCC1=CC=CO1 SBB004308 [1,0,0,0,1,0|1,0,0]=3