0 B12R1.252 CC(=O)CCCC1=CC=CC=N1 SBB018700 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SBB058580 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 CC(=O)NCCC1=CC=CC=C1 SBB058213 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 SBB087692 [0,0,0,0,0,0|3,0,1]=4 10 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,0,0,0,0,0|2,1,0]=3 11 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,0,0|3,0,0]=3 20 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.28 CC#CCNC1=CC=CC=C1 SBB010305 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 CCO\C=N\C1=CC=CC=C1 SBB059636 [1,0,0,0,0,0|1,0,2]=4 30 B11R1.28 CNCCOC1=CC=CC=C1 SBB027283 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.28 COCCSC1=CC=CC=C1 SBB116878 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,0,0,0,0,0|1,0,1]=3 33 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,0,0,0,0,0|1,1,1]=4 34 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,0,0|1,0,1]=3 35 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,1,0,0,0,0|0,0,1]=2 36 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 SBB089573 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O SBB014776 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SBB063155 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SBB066411 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,1,0,0,0,0|3,0,0]=4 51 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,1,0,0,0,0|2,0,0]=3 52 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,1,0,0,0,0|2,0,0]=3 54 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,1,0,0,0,0|2,0,0]=3 56 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,0,0|3,0,0]=4 58 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,0,0|3,0,0]=4 59 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,0|1,0,0]=2 60 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 SBB046911 [0,1,0,0,0,0|3,0,0]=4 61 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 SBB017740 [0,1,0,0,0,0|2,1,0]=4 62 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 SBB302743 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SBB087440 [0,0,0,1,0,0|2,0,1]=4 66 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,0,0|1,0,2]=4 67 B13R2.10 O=C1C=[N+](C2=CC=CC=C2)[N-]O1 SBB087580 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.10 O=C1CC(C2=CC=CC=C2)=NN1 SBB073209 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.10 O=C1NC(C2=CC=CC=C2)=NO1 SBB019418 [0,0,0,1,0,0|2,0,1]=4 72 B13R2.72 CC(=O)C1=CNC2=C1C=CC=C2 SBB003977 [0,0,0,1,0,0|2,0,1]=4 73 B13R2.72 CC(=O)C1=CSC2=C1C=CC=C2 SBB066387 [0,0,0,1,0,0|2,0,1]=4 74 B13R2.72 CC(=O)N1C=CC2=C1C=CC=C2 SBB071433 [0,0,0,1,0,0|1,0,2]=4 75 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,0,0|2,0,0]=3 76 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,0,0|3,0,0]=4 77 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,0,0,1,0,0|2,0,0]=3 78 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,0,0|2,0,0]=3 79 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,1,0|0,0,2]=3 80 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,1,0|0,0,0]=1 81 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,1,0|0,0,0]=1 83 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,1,0|1,0,0]=2 84 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,1,0|1,0,1]=3 85 B11R1.91 CC(C)NCC1=CC=CC=C1 SBB048017 [0,0,0,0,1,0|2,0,1]=4 86 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,0,0,0,1,0|1,0,1]=3 87 B11R1.91 CC(N)COC1=CC=CC=C1 SBB084093 [0,0,0,0,1,0|2,0,1]=4 88 B11R1.91 CN(C)CCC1=NC=CC=C1 SBB086734 [0,0,0,0,1,0|3,0,0]=4 89 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,1,0|1,0,0]=2 91 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.91 NC(=O)CSC1=CC=CC=N1 SBB113001 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,1,0|2,0,0]=3 94 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,1,0|1,0,0]=2 95 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [0,0,0,0,1,0|1,0,2]=4 96 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,0,0,0,1,0|2,1,0]=4 97 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [0,0,0,0,1,0|2,1,0]=4 98 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [0,0,0,0,1,0|2,1,0]=4 99 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,1,0|1,0,0]=2 101 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,1,0|2,0,0]=3 102 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,1,0|1,0,0]=2 103 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [0,0,0,0,1,0|1,0,2]=4 104 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [0,0,0,0,1,0|1,0,2]=4 105 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,1,0|1,0,0]=2 106 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,1,0|2,0,0]=3 107 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,1,0|2,0,0]=3 108 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,1,0|2,0,0]=3 109 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,1,0|2,0,0]=3 110 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,1,0|2,0,0]=3 111 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [0,0,0,0,1,0|3,0,0]=4 112 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [0,0,0,0,1,0|3,0,0]=4 113 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [0,0,0,0,1,0|3,0,0]=4 115 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [0,0,0,0,1,0|1,0,2]=4 117 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [0,0,0,0,1,0|2,0,1]=4 118 B11R1.172 CC(=O)CSCC1=CC=CO1 SBB116836 [0,0,0,0,1,0|3,0,0]=4 119 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 SBB072312 [0,0,0,0,0,1|2,0,0]=3 120 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,0,0,0,0,1|2,0,0]=3 121 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,1|2,0,0]=3 122 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,1|2,0,0]=3 123 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,1|2,0,0]=3 124 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,0,0,0,0,1|2,1,0]=4 125 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,0]=2 126 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|0,0,1]=3 128 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|1,0,1]=4 129 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,1]=4 131 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|0,0,1]=3 132 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|0,1,1]=4 133 B10R1.17 CNCCC1=NC=CC=C1 SBB017551 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.17 CNCCC1=NC=CC=C1 SBB040053 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|1,0,1]=4 139 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|0,0,0]=2 141 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,2]=4 142 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|0,0,2]=4 143 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [1,1,0,0,0,0|1,0,1]=4 144 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [1,1,0,0,0,0|1,0,1]=4 145 B12R1.1 CCNCCC1=CC=C(C)C=C1 SBB052427 [1,1,0,0,0,0|1,0,1]=4 146 B12R1.8 CC#CCNCC1=CC=CC=C1 SBB300108 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [1,1,0,0,0,0|1,0,1]=4 148 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [1,1,0,0,0,0|1,0,1]=4 149 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [1,1,0,0,0,0|1,0,1]=4 150 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,1,0,0,0,0|1,0,1]=4 151 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [1,1,0,0,0,0|2,0,0]=4 152 B12R1.21 C=C(C)COC1=CC=C(N)C=C1 SBB080146 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,1,0,0,1,0|0,0,0]=2 154 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,1,0,0,1,0|1,0,0]=3 155 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,1,0,0,1,0|1,0,0]=3 156 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,1,0,0,1,0|1,0,0]=3 157 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,1,0,0,1,0|1,0,0]=3 158 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,1,0,0,1,0|1,0,0]=3 159 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,1,0,0,1,0|0,0,0]=2 160 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [0,1,0,0,1,0|0,0,2]=4 161 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [0,1,0,0,1,0|0,0,2]=4 162 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [0,1,0,0,1,0|0,0,2]=4 163 B12R1.21 CC(N)CCC1=CC=C(Cl)C=C1 SBB010707 [0,1,0,0,1,0|1,0,1]=4 164 B12R1.21 CC(N)CCC1=CC=C(F)C=C1 SBB010486 [0,1,0,0,1,0|1,0,1]=4 165 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,1,0,0,1,0|2,0,0]=4 167 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,1,0,0,1,0|2,0,0]=4 168 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,1,0,0,1,0|2,0,0]=4 169 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 SBB088264 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 SBB006760 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [0,1,0,0,1,0|2,0,0]=4 172 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,1,0,0,1,0|1,0,0]=3 173 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 SBB009959 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SBB010782 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,1,0,0,1,0|1,0,0]=3 177 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [0,1,0,0,1,0|2,0,0]=4 182 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [0,1,0,0,1,0|2,0,0]=4 183 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [0,1,0,0,1,0|2,0,0]=4 184 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [0,1,0,0,1,0|2,0,0]=4 186 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [0,1,0,0,1,0|2,0,0]=4 187 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [0,1,0,0,1,0|2,0,0]=4 188 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [0,1,0,0,1,0|2,0,0]=4 189 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,1,0|0,0,0]=2 191 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,1,0|2,0,0]=4 192 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,1,0|2,0,0]=4 193 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,1,0|1,0,0]=3 195 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [0,1,0,0,1,0|2,0,0]=4 196 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [0,1,0,0,1,0|2,0,0]=4 197 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,1,0|1,0,1]=4 199 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,1,0|1,0,0]=3 200 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,1,0|0,0,1]=3 201 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.107 CC(=O)\C=C(/N)C1=CC=CC=C1 SBB035905 [0,1,0,0,1,0|0,0,2]=4 203 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,1,0,0,1,0|1,0,1]=4 204 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,1,0,0,1,0|1,0,0]=3 205 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,1,0,0,1,0|1,0,0]=3 206 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,1,0,0,1,0|1,0,0]=3 207 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,1,0,0,1,0|2,0,0]=4 208 B12R1.125 C=C(C)COC1=CC=CC=C1N SBB080151 [0,1,0,0,1,0|2,0,0]=4 209 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,1,0,0,1,0|1,0,0]=3 210 B12R1.125 CC(=O)\C=C\C1=C(O)C=CC=C1 SBB087612 [0,1,0,0,1,0|0,0,2]=4 211 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [0,1,0,0,1,0|2,0,0]=4 212 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,1,0,0,1,0|1,0,0]=3 213 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [0,1,0,0,1,0|2,0,0]=4 214 B12R1.125 NC(=O)COC1=CC=CC=C1Cl SBB116750 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,1,0,0,1,0|1,0,0]=3 216 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,1,0,0,1,0|1,0,0]=3 217 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,1,0,0,1,0|1,0,0]=3 218 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,1,0,0,1,0|1,0,0]=3 219 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [0,1,0,0,1,0|2,0,0]=4 222 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [0,1,0,0,1,0|2,0,0]=4 223 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [0,1,0,0,1,0|2,0,0]=4 224 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [0,1,0,0,1,0|2,0,0]=4 225 B12R1.226 C=C(C)COC1=CC(N)=CC=C1 SBB080148 [0,1,0,0,1,0|2,0,0]=4 226 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,1,0|0,0,0]=2 227 B12R1.226 CC(=O)\C=C\C1=CC=CC(Cl)=C1 SBB057836 [0,1,0,0,1,0|0,0,2]=4 228 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [0,1,0,0,1,0|2,0,0]=4 230 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 SBB090331 [0,1,0,0,1,0|2,0,0]=4 232 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,1,0,0,1,0|1,0,0]=3 233 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,1,0,0,1,0|1,0,0]=3 234 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,1,0,0,1,0|1,0,0]=3 235 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,1,0,0,1,0|1,0,0]=3 236 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,1,0,0,1,0|1,0,0]=3 237 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [0,1,0,0,1,0|2,0,0]=4 238 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [0,1,0,0,1,0|2,0,0]=4 239 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [0,1,0,0,1,0|2,0,0]=4 240 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [0,1,0,0,1,0|2,0,0]=4 241 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [0,1,0,0,1,0|2,0,0]=4 242 B12R1.130 CC(=O)OCCC1=C(C)N=CS1 SBB056643 [0,1,0,0,1,0|2,0,0]=4 243 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 SBB017881 [0,1,0,0,0,1|1,0,0]=3 244 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 SBB024155 [0,1,0,0,0,1|2,0,0]=4 245 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 SBB010970 [0,1,0,0,0,1|2,0,0]=4 246 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 SBB015479 [0,1,0,0,0,1|2,0,0]=4 247 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F SBB027242 [0,1,0,0,0,1|2,0,0]=4 248 B14R1.420 C\C(Cl)=C/CNC(C)C1=CC=CC=C1 SBB301294 [0,1,0,0,0,1|2,0,0]=4 249 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,1,0,0,0,1|2,0,0]=4 250 B14R1.423 CC(=O)OCC(=O)NC1=CC=CC=C1 SBB000311 [0,1,0,0,0,1|0,0,1]=3 251 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 SBB072487 [0,1,0,0,0,1|1,0,0]=3 252 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 SBB072276 [0,1,0,0,0,1|1,0,0]=3 253 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 SBB072945 [0,1,0,0,0,1|1,0,0]=3 254 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 SBB071959 [0,1,0,0,0,1|1,0,0]=3 255 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 SBB015616 [0,1,0,0,0,1|2,0,0]=4 256 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 SBB016923 [0,1,0,0,0,1|2,0,0]=4 257 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SBB037869 [0,1,0,0,0,1|2,0,0]=4 258 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 SBB008253 [0,1,0,0,0,1|2,0,0]=4 259 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 SBB111688 [0,1,0,0,0,1|2,0,0]=4 260 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,1,0,0,0,1|1,0,0]=3 261 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 SBB011286 [0,1,0,0,0,1|1,0,0]=3 262 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,1,0,0,0,1|1,0,1]=4 263 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,1,0,0,0,1|1,0,1]=4 264 B14R1.3331 CS(=O)(=O)NCCOC1=CC=CC=C1 SBB006280 [0,1,0,0,0,1|2,0,0]=4 265 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SBB064584 [0,1,0,0,0,1|2,0,0]=4 266 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [0,1,0,0,0,1|2,0,0]=4 267 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O SBB007644 [0,1,0,0,0,1|2,0,0]=4 268 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SBB008046 [0,2,0,0,0,0|1,0,1]=4 269 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 SBB101819 [0,2,0,0,0,0|0,0,1]=3 270 B14R1.678 CC1=CC=C(C(O)CCC(=O)O)C=C1 SBB010911 [0,2,0,0,0,0|2,0,0]=4 271 B14R1.678 O=C(O)CCC(O)C1=CC=C(F)C=C1 SBB010969 [0,2,0,0,0,0|2,0,0]=4 272 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F SBB302378 [0,2,0,0,0,0|2,0,0]=4 273 B14R1.96 COC1=CC=CC=C1CCCC(=O)O SBB303071 [0,2,0,0,0,0|2,0,0]=4 274 B14R1.96 COC1=CC=CC=C1CCNC(N)=O SBB091765 [0,2,0,0,0,0|2,0,0]=4 275 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl SBB064587 [0,2,0,0,0,0|2,0,0]=4 276 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 SBB064590 [0,2,0,0,0,0|2,0,0]=4 277 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 SBB063261 [0,2,0,0,0,0|2,0,0]=4 278 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 SBB037903 [0,2,0,0,0,0|1,0,0]=3 279 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 SBB302693 [0,2,0,0,0,0|1,0,0]=3 280 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [0,2,0,0,0,0|2,0,0]=4 281 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 SBB023430 [0,2,0,0,0,0|1,0,0]=3 282 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|1,0,1]=4 283 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|1,0,1]=4 284 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SBB086557 [1,0,0,1,0,0|1,0,1]=4 285 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [1,0,0,1,0,0|1,0,0]=3 286 B12R2.1081 O=C1CCOC2=CC=CC=C12 SBB056286 [1,0,0,1,0,0|2,0,0]=4 287 B12R2.24 CC1CCC2=CC=CC=C2N1 SBB039108 [0,0,0,1,1,0|1,0,1]=4 288 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SBB072624 [0,0,0,1,1,0|1,0,1]=4 289 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,0,0,1,1,0|0,0,0]=2 290 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [0,0,0,1,1,0|1,0,0]=3 291 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [0,0,0,1,1,0|1,0,0]=3 292 B12R2.24 O=C1CCN2C=CC=CC2=N1 SBB058237 [0,0,0,1,1,0|2,0,0]=4 293 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [0,0,0,1,1,0|2,0,0]=4 294 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [0,0,0,1,1,0|2,0,0]=4 295 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [0,0,0,1,1,0|2,0,0]=4 296 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,1,1,0|0,0,2]=4 297 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,0,0,1,1,0|1,0,0]=3 298 B14R2.2 CC(=O)OC1=COC2=CC=CC=C21 SBB116887 [0,0,0,1,0,1|0,0,2]=4 299 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [0,0,0,1,0,1|1,0,0]=3 300 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,1|1,0,0]=3 301 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 SBB065730 [0,0,0,1,0,1|2,0,0]=4 302 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 SBB053292 [0,0,0,1,0,1|2,0,0]=4 303 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 SBB000197 [0,0,0,1,0,1|2,0,0]=4 304 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 SBB003410 [0,0,0,1,0,1|2,0,0]=4 305 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SBB008578 [0,1,0,1,0,0|1,0,0]=3 306 B14R2.25733 CC(=O)N1CC(=O)C2=C1C=CC=C2 SBB066741 [0,1,0,1,0,0|1,0,1]=4 307 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 SBB010097 [0,1,0,1,0,0|1,0,0]=3 308 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 SBB080665 [0,1,0,1,0,0|1,0,0]=3 309 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SBB116894 [0,1,0,1,0,0|2,0,0]=4 310 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 SBB053531 [0,1,0,1,0,0|2,0,0]=4 311 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [0,1,0,1,0,0|2,0,0]=4 312 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br SBB099210 [0,1,0,1,0,0|2,0,0]=4 313 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 SBB067241 [0,1,0,1,0,0|2,0,0]=4 314 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 SBB022730 [0,1,0,1,0,0|2,0,0]=4 315 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SBB018034 [0,1,0,1,0,0|2,0,0]=4 316 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 SBB089182 [0,1,0,1,0,0|1,0,0]=3 317 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 SBB080037 [0,1,0,1,0,0|1,0,0]=3 318 B14R2.95 O=C(CCl)N1CCC2=CC=CC=C21 SBB000348 [0,1,0,1,0,0|1,0,0]=3 319 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 SBB019657 [0,1,0,1,0,0|2,0,0]=4 320 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [0,0,0,0,2,0|1,0,0]=3 321 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [0,0,0,0,2,0|1,0,0]=3 322 B10R1.18 CC(=O)NC1=CC=CC=N1 SBB085932 [0,0,0,0,2,0|2,0,0]=4 323 B10R1.18 CC(=O)NC1=CC=NC=C1 SBB085931 [0,0,0,0,2,0|2,0,0]=4 324 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,0,0,2,0|0,0,0]=2 325 B10R1.18 CC(=S)NC1=CC=CC=C1 SBB086797 [0,0,0,0,2,0|1,1,0]=4 326 B10R1.18 CN(C)CC1=CC=CC=C1 SBB060233 [0,0,0,0,2,0|2,0,0]=4 327 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [0,0,0,0,2,0|1,0,0]=3 328 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [0,0,0,0,2,0|2,0,0]=4 329 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [0,0,0,0,2,0|1,1,0]=4 330 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [0,0,0,0,2,0|1,0,0]=3 331 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [0,0,0,0,2,0|1,0,0]=3 332 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,0,0,0,2,0|2,0,0]=4 333 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,0,0,0,2,0|2,0,0]=4 334 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [0,0,0,0,2,0|2,0,0]=4 335 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [0,0,0,0,2,0|2,0,0]=4 336 B10R1.66 CC(=O)CCN1C=CC=N1 SBB047979 [0,0,0,0,2,0|2,0,0]=4 337 B10R1.66 CC(=O)OCC1=CC=CO1 SBB055767 [0,0,0,0,2,0|1,0,0]=3 338 B10R1.66 CC(=O)SCC1=CC=CO1 SBB057323 [0,0,0,0,2,0|1,1,0]=4 339 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,2,0|2,0,0]=4 340 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,2,0|2,0,0]=4 341 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 SBB080698 [0,0,0,0,0,2|2,0,0]=4 342 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 SBB071719 [0,0,0,0,0,2|2,0,0]=4 343 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,0,0,0,0,2|1,0,0]=3