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|2,0,0]=2 3 B12R1.252 CC(=O)OCCC1=CC=CC=C1 SBB061194 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.252 CC(=O)\C=N\NC1=CC=CC=C1 SBB056716 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.252 CC(C)NCCC1=CC=CC=C1 SBB080102 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,0,0,0,0,0|2,0,1]=3 7 B12R1.252 FC(F)CNCC1=CC=CC=C1 SBB046667 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SBB102430 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.252 NC(=O)CCCC1=CC=CC=C1 SBB051450 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.252 NC(=O)N\N=C\C1=CC=CC=C1 SBB087692 [0,0,0,0,0,0|3,0,1]=4 11 B12R1.252 NC(=S)NCCC1=CC=CC=C1 SBB017394 [0,0,0,0,0,0|2,1,0]=3 12 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SBB040702 [0,0,0,0,0,0|1,0,0]=1 13 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SBB063195 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SBB008452 [0,0,0,0,0,0|0,0,0]=0 15 B12R1.252 O=C(O)CCCC1=CC=CC=N1 SBB014662 [0,0,0,0,0,0|1,0,0]=1 16 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SBB014669 [0,0,0,0,0,0|1,0,0]=1 17 B12R1.252 O=C(O)CCSC1=CC=CC=C1 SBB049906 [0,0,0,0,0,0|1,0,0]=1 18 B12R1.252 O=C(O)CCSC1=CC=CC=N1 SBB103611 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB003529 [0,0,0,0,0,0|1,0,0]=1 20 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SBB063075 [0,0,0,0,0,0|1,0,0]=1 21 B12R1.252 O=C(O)COCC1=CC=CC=C1 SBB048109 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.252 O=C(O)CSCC1=CC=CC=C1 SBB042552 [0,0,0,0,0,0|1,0,0]=1 23 B12R1.252 OC(=O)CCOC1=CC=CC=C1 SBB003895 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.28 C#CCNCC1=CC=CC=C1 SBB300092 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [1,0,0,0,0,0|2,0,1]=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 ClCCCOC1=CC=CC=C1 SBB300461 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.28 ClCCNCC1=CC=CC=C1 SBB052393 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.28 N#CCCCC1=NC=CC=C1 SBB018559 [1,0,0,0,0,0|2,0,1]=4 35 B11R1.28 N#CCCNC1=CC=CC=C1 SBB004106 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [1,0,0,0,0,0|2,0,1]=4 37 B11R1.28 NCCCOC1=CC=CC=C1 SBB043657 [1,0,0,0,0,0|2,0,1]=4 38 B11R1.28 NCCCSC1=CC=CC=C1 SBB071863 [1,0,0,0,0,0|2,0,1]=4 39 B11R1.28 NCCNCC1=CC=CC=C1 SBB028295 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.28 NCCOCC1=CC=CC=C1 SBB050278 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.28 NCCOCC1=CC=CC=C1 SBB055150 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.28 NCCSCC1=CC=CC=C1 SBB003512 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.28 O=C=NCCC1=CC=CC=C1 SBB048864 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.28 OCCNCC1=CC=CC=C1 SBB004062 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.28 OCCNCC1=CC=CN=C1 SBB010335 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.28 OCCNCC1=NC=CC=C1 SBB110041 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.28 OCCOCC1=CC=CC=C1 SBB063066 [1,0,0,0,0,0|1,0,1]=3 48 B11R1.28 OCCSCC1=CC=CC=C1 SBB058901 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.28 S=C=NCCC1=CC=CC=C1 SBB002732 [1,0,0,0,0,0|1,1,1]=4 50 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 SBB071424 [0,1,0,0,0,0|1,0,1]=3 51 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 SBB063952 [0,1,0,0,0,0|2,0,1]=4 52 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 SBB025723 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 SBB057733 [0,1,0,0,0,0|0,0,1]=2 54 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 SBB010635 [0,1,0,0,0,0|1,0,1]=3 55 B13R1.45 O=C(O)CCC(O)C1=CC=CC=C1 SBB010649 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 SBB045240 [0,1,0,0,0,0|2,0,1]=4 57 B13R1.45 O=C(O)COC(=O)C1=CN=CC=C1 SBB056615 [0,1,0,0,0,0|2,0,1]=4 58 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 SBB007952 [0,1,0,0,0,0|0,0,3]=4 59 B13R1.45 OC(=O)CNC(=O)C1=CC=CC=C1 SBB003759 [0,1,0,0,0,0|1,0,1]=3 60 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 SBB085423 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.158 CC(O)CNCC1=C(F)C=CC=C1 SBB010700 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.158 CC1=CC=CC=C1OCCC(=O)O SBB085282 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.158 O=C(O)CCOC1=CC=CC=C1F SBB027408 [0,1,0,0,0,0|1,0,0]=2 64 B13R1.348 CC(=O)C\C(C)=N/C1=CC=CC=C1 SBB089069 [0,1,0,0,0,0|2,0,1]=4 65 B13R1.348 CN(CC(=O)O)CC1=CN=CC=C1 SBB010656 [0,1,0,0,0,0|2,0,0]=3 66 B13R1.348 CN(CC(=O)O)CC1=NC=CC=C1 SBB010657 [0,1,0,0,0,0|2,0,0]=3 67 B13R1.348 N(C(=O)CC(C)=O)C1=CC=CC=C1 SBB003774 [0,1,0,0,0,0|2,0,1]=4 68 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 SBB057962 [0,1,0,0,0,0|2,0,1]=4 69 B13R1.351 NC(CCC1=CC=CC=N1)C(=O)O SBB014776 [0,1,0,0,0,0|1,0,0]=2 70 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O SBB063155 [0,1,0,0,0,0|0,0,0]=1 71 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O SBB066411 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.351 O=C(O)[C@@H](O)CCC1=CC=CC=C1 SBB065026 [0,1,0,0,0,0|0,0,0]=1 73 B13R1.513 CC1=CC=C(SCCC(=O)O)C=C1 SBB103625 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SBB069098 [0,1,0,0,0,0|0,0,0]=1 75 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 SBB099678 [0,1,0,0,0,0|0,0,0]=1 76 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010216 [0,1,0,0,0,0|0,0,0]=1 77 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SBB010232 [0,1,0,0,0,0|0,0,0]=1 78 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 SBB052746 [0,1,0,0,0,0|0,0,0]=1 79 B13R1.513 O=C(O)CCNC1=CC=C(Cl)C=N1 SBB301439 [0,1,0,0,0,0|2,0,0]=3 80 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 SBB008249 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.513 O=C(O)CSCC1=CC=C(Cl)C=C1 SBB049904 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.513 O=C(O)CSCC1=CC=C(F)C=C1 SBB047481 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.718 COC(=O)CCCC1=CC=CC=C1 SBB007854 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.718 NCC(O)COCC1=CC=CC=C1 SBB010672 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.718 NNC(=O)CSCC1=CC=CC=C1 SBB046911 [0,1,0,0,0,0|2,0,0]=3 86 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 SBB017740 [0,1,0,0,0,0|2,1,0]=4 87 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 SBB080036 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 SBB001602 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.718 OC(CCl)COCC1=CC=CC=C1 SBB056727 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.718 OCC(O)COCC1=CC=CC=C1 SBB058667 [0,1,0,0,0,0|1,0,2]=4 91 B13R1.3523 O=S(=O)(Cl)CCCC1=CC=CC=C1 SBB302743 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.3523 O=S(=O)(Cl)CCOC1=CC=CC=C1 SBB017277 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.10 CC1COC(C2=CC=CC=C2)O1 SBB060969 [0,0,0,1,0,0|2,0,1]=4 94 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 SBB009983 [0,0,0,1,0,0|3,0,0]=4 95 B13R2.10 O=C1C=C(C2=CC=CC=C2)CC1 SBB051629 [0,0,0,1,0,0|1,0,1]=3 96 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 SBB000141 [0,0,0,1,0,0|2,0,0]=3 97 B13R2.10 O=C1CN=C(C2=CC=CC=C2)O1 SBB068903 [0,0,0,1,0,0|1,0,1]=3 98 B13R2.10 O=C1CSC(C2=CC=CC=C2)N1 SBB076217 [0,0,0,1,0,0|2,0,0]=3 99 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SBB003952 [0,0,0,1,0,0|1,0,2]=4 100 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 SBB087579 [0,0,0,1,0,0|1,0,2]=4 101 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 SBB007035 [0,0,0,1,0,0|1,0,2]=4 102 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 SBB002540 [0,0,0,1,0,0|2,0,1]=4 103 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 SBB087533 [0,0,0,1,0,0|1,0,0]=2 104 B13R2.163 O=C1CCNC2=C(C=CC=C2)N1 SBB045898 [0,0,0,1,0,0|2,0,0]=3 105 B13R2.423 O=C(Cl)[C@@H]1CC1C2=CC=CC=C2 SBB000222 [0,0,0,1,0,0|1,0,0]=2 106 B13R2.423 OC(=O)C1CC1C2=CC=CC=C2 SBB003944 [0,0,0,1,0,0|0,0,0]=1 107 B13R2.2382 C1=CC=C(COCC2CO2)C=C1 SBB060420 [0,0,0,1,0,0|2,0,1]=4 108 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SBB015101 [0,0,0,0,1,0|1,0,2]=4 109 B11R1.91 CC(=O)CCC1=CC=CC=C1 SBB058827 [0,0,0,0,1,0|1,0,0]=2 110 B11R1.91 CC(=O)NNC1=CC=CC=C1 SBB058004 [0,0,0,0,1,0|3,0,0]=4 111 B11R1.91 CC(=O)OCC1=CC=CC=C1 SBB058375 [0,0,0,0,1,0|2,0,0]=3 112 B11R1.91 CC(=O)O[I+]C1=CC=CC=C1 SBB057853 [0,0,0,0,1,0|3,0,0]=4 113 B11R1.91 CC(C)=CCC1=CC=CC=C1 SBB007979 [0,0,0,0,1,0|2,0,1]=4 114 B11R1.91 CC(N)CCC1=CC=CC=C1 SBB059846 [0,0,0,0,1,0|2,0,1]=4 115 B11R1.91 N=C(N)CSC1=CC=CC=C1 SBB055427 [0,0,0,0,1,0|3,0,0]=4 116 B11R1.91 NC(=O)CCC1=CC=CC=C1 SBB058119 [0,0,0,0,1,0|1,0,0]=2 117 B11R1.91 NC(=O)COC1=CC=CC=C1 SBB028296 [0,0,0,0,1,0|2,0,0]=3 118 B11R1.91 NC(=O)CSC1=CC=CC=N1 SBB113001 [0,0,0,0,1,0|3,0,0]=4 119 B11R1.91 NC(=O)NCC1=CC=CC=C1 SBB058548 [0,0,0,0,1,0|2,0,0]=3 120 B11R1.91 NC(=O)OCC1=CC=CC=C1 SBB058407 [0,0,0,0,1,0|2,0,0]=3 121 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 SBB004096 [0,0,0,0,1,0|1,0,2]=4 122 B11R1.91 NC(=S)CCC1=NC=CC=C1 SBB019122 [0,0,0,0,1,0|2,1,0]=4 123 B11R1.91 NC(=S)COC1=CC=CC=C1 SBB016514 [0,0,0,0,1,0|2,1,0]=4 124 B11R1.91 NC(=S)NCC1=CC=CC=C1 SBB088032 [0,0,0,0,1,0|2,1,0]=4 125 B11R1.91 NC(N)=NCC1=CC=CC=C1 SBB055108 [0,0,0,0,1,0|3,0,0]=4 126 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SBB058859 [0,0,0,0,1,0|1,0,0]=2 127 B11R1.91 O=C(Cl)COC1=CC=CC=C1 SBB040630 [0,0,0,0,1,0|2,0,0]=3 128 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 SBB063193 [0,0,0,0,1,0|2,0,0]=3 129 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 SBB040621 [0,0,0,0,1,0|1,0,2]=4 130 B11R1.91 O=C(O)C#CC1=CC=CC=C1 SBB044891 [0,0,0,0,1,0|0,0,2]=3 131 B11R1.91 O=C(O)CCC1=CC=CC=C1 SBB056662 [0,0,0,0,1,0|0,0,0]=1 132 B11R1.91 O=C(O)CCC1=CC=CC=N1 SBB018634 [0,0,0,0,1,0|1,0,0]=2 133 B11R1.91 O=C(O)CCC1=CC=NC=C1 SBB012865 [0,0,0,0,1,0|1,0,0]=2 134 B11R1.91 O=C(O)CCC1=CN=CC=C1 SBB028468 [0,0,0,0,1,0|1,0,0]=2 135 B11R1.91 O=C(O)CNC1=CC=CC=C1 SBB028637 [0,0,0,0,1,0|1,0,0]=2 136 B11R1.91 O=C(O)COC1=CC=CC=C1 SBB040522 [0,0,0,0,1,0|1,0,0]=2 137 B11R1.91 O=C(O)COC1=CC=CC=N1 SBB086897 [0,0,0,0,1,0|2,0,0]=3 138 B11R1.91 O=C(O)COC1=CN=CC=C1 SBB027277 [0,0,0,0,1,0|2,0,0]=3 139 B11R1.91 O=C(O)CSC1=CC=CC=C1 SBB001712 [0,0,0,0,1,0|1,0,0]=2 140 B11R1.91 O=C(O)CSC1=CC=NC=C1 SBB028482 [0,0,0,0,1,0|2,0,0]=3 141 B11R1.91 O=C(O)CSC1=NC=CC=C1 SBB010505 [0,0,0,0,1,0|2,0,0]=3 142 B11R1.91 O=C(O)CSC1=NC=CC=N1 SBB028483 [0,0,0,0,1,0|3,0,0]=4 143 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 SBB028745 [0,0,0,0,1,0|0,0,2]=3 144 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 SBB059539 [0,0,0,0,1,0|1,0,2]=4 145 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 SBB028466 [0,0,0,0,1,0|1,0,2]=4 146 B11R1.91 O=C(O)\C=C\C1=CN=CC=C1 SBB028467 [0,0,0,0,1,0|1,0,2]=4 147 B11R1.91 OB(O)CCC1=CC=CC=C1 SBB071100 [0,0,0,0,1,0|1,0,1]=3 148 B11R1.172 CC(=O)CSCC1=CC=CO1 SBB116836 [0,0,0,0,1,0|3,0,0]=4 149 B11R1.172 O=C(O)CCCC1=CNN=C1 SBB050947 [0,0,0,0,1,0|2,0,0]=3 150 B11R1.172 O=C(O)CCCN1C=CC=N1 SBB027244 [0,0,0,0,1,0|2,0,0]=3 151 B11R1.172 O=C(O)CCCN1C=CN=C1 SBB010352 [0,0,0,0,1,0|2,0,0]=3 152 B11R1.172 O=C(O)CCCN1C=NC=N1 SBB010157 [0,0,0,0,1,0|3,0,0]=4 153 B11R1.172 O=C(O)CSCC1=CC=CO1 SBB010540 [0,0,0,0,1,0|2,0,0]=3 154 B13R1.337 CC(=O)NCCOC1=CC=CN=C1 SBB072312 [0,0,0,0,0,1|3,0,0]=4 155 B13R1.337 FC(F)CNCCC1=CC=CC=C1 SBB046664 [0,0,0,0,0,1|2,0,1]=4 156 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 SBB080364 [0,0,0,0,0,1|1,0,0]=2 157 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 SBB069090 [0,0,0,0,0,1|0,0,0]=1 158 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 SBB085446 [0,0,0,0,0,1|2,0,0]=3 159 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 SBB015389 [0,0,0,0,0,1|0,0,0]=1 160 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 SBB111687 [0,0,0,0,0,1|0,0,0]=1 161 B13R1.337 O=C(O)CSCCC1=NC=CC=C1 SBB300316 [0,0,0,0,0,1|1,0,0]=2 162 B13R1.337 O=C(O)CS\C=C\C1=CC=CC=C1 SBB091776 [0,0,0,0,0,1|0,0,2]=3 163 B10R1.17 BrCCCC1=CN=CC=C1 SBB014930 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.17 BrCCOC1=CC=CC=C1 SBB042586 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.17 BrCCSC1=CC=CC=C1 SBB059699 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.17 C(=O)CCC1=CC=CC=C1 SBB006730 [2,0,0,0,0,0|0,0,0]=2 167 B10R1.17 C(=O)NNC1=CC=CC=C1 SBB008261 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.17 C=CCCC1=CC=CC=C1 SBB008476 [2,0,0,0,0,0|0,0,1]=3 169 B10R1.17 CCCNC1=CC=CC=C1 SBB059800 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.17 CCCOC1=CC=CC=C1 SBB061098 [2,0,0,0,0,0|1,0,1]=4 171 B10R1.17 CCNCC1=CC=CC=C1 SBB058765 [2,0,0,0,0,0|1,0,1]=4 172 B10R1.17 CCOCC1=CC=CC=C1 SBB061196 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.17 CCSCC1=CC=CC=C1 SBB061362 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.17 ClCCCC1=CC=CC=C1 SBB061361 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.17 ClCOCC1=CC=CC=C1 SBB064207 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.17 ClCSCC1=CC=CC=C1 SBB055458 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.17 N(CC=C)C1=CC=CC=C1 SBB004211 [2,0,0,0,0,0|1,0,1]=4 178 B10R1.17 NCCCC1=CC=CC=C1 SBB028248 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.17 NCCCC1=CC=CC=N1 SBB012768 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.17 NCCNC1=CC=CC=C1 SBB004200 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.17 NCCOC1=CC=CC=C1 SBB085982 [2,0,0,0,0,0|2,0,0]=4 182 B10R1.17 NCCSC1=CC=CC=C1 SBB047720 [2,0,0,0,0,0|2,0,0]=4 183 B10R1.17 O=C=NCC1=CC=CC=C1 SBB048859 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.17 O=COCC1=CC=CC=C1 SBB061238 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.17 O=C\C=C\C1=CC=CC=C1 SBB028652 [2,0,0,0,0,0|0,0,2]=4 186 B10R1.17 OCC#CC1=CC=CC=C1 SBB015103 [2,0,0,0,0,0|0,0,2]=4 187 B10R1.17 OCCCC1=CC=CC=C1 SBB061127 [2,0,0,0,0,0|0,0,0]=2 188 B10R1.17 OCCCC1=CC=NC=C1 SBB072686 [2,0,0,0,0,0|1,0,0]=3 189 B10R1.17 OCCOC1=CC=CC=C1 SBB060485 [2,0,0,0,0,0|1,0,0]=3 190 B10R1.17 OC\C=C\C1=CC=CC=C1 SBB058645 [2,0,0,0,0,0|0,0,2]=4 191 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.1 OCCNCC1=CC=C(F)C=C1 SBB080484 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB056785 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.8 N#CCCNCC1=CC=CC=C1 SBB080384 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [1,1,0,0,0,0|0,0,1]=3 204 B12R1.8 OCCNCCC1=CC=NC=C1 SBB027979 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.8 OCCSCCC1=CC=NC=C1 SBB049073 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.27 CC(CO)NCC1=CC=CC=C1 SBB010465 [1,1,0,0,0,0|1,0,1]=4 207 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 SBB088177 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.28 OCCNCC1=CC=CC(Cl)=C1 SBB111087 [1,1,0,0,0,0|1,0,1]=4 209 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.30 CNCCC(O)C1=CC=CC=C1 SBB063260 [1,1,0,0,0,0|2,0,0]=4 211 B12R1.30 OCCN[C@H](C)C1=CC=CC=C1 SBB010055 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.267 C=CCNCC1=C(F)C=CC=C1 SBB010457 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.267 OCCNCC1=C(Cl)C=CC=C1 SBB010731 [1,1,0,0,0,0|1,0,1]=4 214 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SBB056768 [0,1,0,0,1,0|1,0,0]=3 215 B12R1.21 CC(=O)COC1=CC=C(Cl)C=C1 SBB072870 [0,1,0,0,1,0|2,0,0]=4 216 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 SBB089710 [0,1,0,0,1,0|2,0,0]=4 217 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 SBB057983 [0,1,0,0,1,0|2,0,0]=4 218 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 SBB090182 [0,1,0,0,1,0|2,0,0]=4 219 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 SBB055227 [0,1,0,0,1,0|2,0,0]=4 220 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 SBB116862 [0,1,0,0,1,0|2,0,0]=4 221 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SBB016295 [0,1,0,0,1,0|0,0,0]=2 222 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 SBB046297 [0,1,0,0,1,0|1,0,0]=3 223 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 SBB004531 [0,1,0,0,1,0|1,0,0]=3 224 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 SBB038335 [0,1,0,0,1,0|1,0,0]=3 225 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [0,1,0,0,1,0|0,0,2]=4 226 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 SBB088264 [0,1,0,0,1,0|2,0,0]=4 227 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 SBB006760 [0,1,0,0,1,0|2,0,0]=4 228 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [0,1,0,0,1,0|2,0,0]=4 229 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 SBB010089 [0,1,0,0,1,0|0,0,0]=2 230 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 SBB001635 [0,1,0,0,1,0|1,0,0]=3 231 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SBB003553 [0,1,0,0,1,0|0,0,2]=4 232 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 SBB009959 [0,1,0,0,1,0|2,0,0]=4 233 B12R1.21 O=C(Cl)COC1=CC=C(F)C=C1 SBB010782 [0,1,0,0,1,0|2,0,0]=4 234 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SBB017617 [0,1,0,0,1,0|0,0,0]=2 235 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SBB010179 [0,1,0,0,1,0|0,0,0]=2 236 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SBB017621 [0,1,0,0,1,0|0,0,0]=2 237 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SBB052832 [0,1,0,0,1,0|0,0,0]=2 238 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SBB064098 [0,1,0,0,1,0|0,0,0]=2 239 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 SBB016740 [0,1,0,0,1,0|1,0,0]=3 240 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 SBB063172 [0,1,0,0,1,0|1,0,0]=3 241 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 SBB003884 [0,1,0,0,1,0|1,0,0]=3 242 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 SBB004535 [0,1,0,0,1,0|1,0,0]=3 243 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 SBB004537 [0,1,0,0,1,0|1,0,0]=3 244 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 SBB030014 [0,1,0,0,1,0|1,0,0]=3 245 B12R1.21 O=C(O)COC1=CC=C(I)C=C1 SBB063740 [0,1,0,0,1,0|1,0,0]=3 246 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 SBB052749 [0,1,0,0,1,0|1,0,0]=3 247 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SBB059537 [0,1,0,0,1,0|0,0,2]=4 248 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SBB008203 [0,1,0,0,1,0|0,0,2]=4 249 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 SBB005718 [0,1,0,0,1,0|0,0,2]=4 250 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SBB007613 [0,1,0,0,1,0|0,0,2]=4 251 B12R1.21 OC(=O)CSC1=CC=C(Cl)C=C1 SBB003520 [0,1,0,0,1,0|1,0,0]=3 252 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 SBB014560 [0,1,0,0,1,0|1,0,0]=3 253 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl SBB050579 [0,1,0,0,1,0|2,0,0]=4 254 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O SBB079963 [0,1,0,0,1,0|1,0,0]=3 255 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [0,1,0,0,1,0|0,0,2]=4 256 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SBB027287 [0,1,0,0,1,0|1,0,0]=3 257 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SBB058700 [0,1,0,0,1,0|0,0,0]=2 258 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O SBB065646 [0,1,0,0,1,0|1,0,0]=3 259 B12R1.43 N[C@H](CC1=CC=CC=N1)C(=O)O SBB065302 [0,1,0,0,1,0|1,0,0]=3 260 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O SBB065223 [0,1,0,0,1,0|1,0,0]=3 261 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [0,1,0,0,1,0|0,0,1]=3 262 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SBB012365 [0,1,0,0,1,0|0,0,0]=2 263 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [0,1,0,0,1,0|0,0,2]=4 264 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [0,1,0,0,1,0|0,0,2]=4 265 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SBB040798 [0,1,0,0,1,0|1,0,1]=4 266 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SBB058063 [0,1,0,0,1,0|2,0,0]=4 267 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 SBB052737 [0,1,0,0,1,0|0,0,2]=4 268 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 SBB035909 [0,1,0,0,1,0|1,0,1]=4 269 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SBB001851 [0,1,0,0,1,0|0,0,0]=2 270 B12R1.107 O=C(O)CC(Br)C1=CC=CC=C1 SBB008428 [0,1,0,0,1,0|0,0,0]=2 271 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SBB063579 [0,1,0,0,1,0|0,0,0]=2 272 B12R1.107 O=[N+]([O-])CC(O)C1=CC=CC=C1 SBB001885 [0,1,0,0,1,0|1,0,1]=4 273 B12R1.125 CC(=O)NCC1=C(Br)C=CC=C1 SBB079113 [0,1,0,0,1,0|2,0,0]=4 274 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 SBB004532 [0,1,0,0,1,0|1,0,0]=3 275 B12R1.125 CC1=CC=CC=C1CCC(=O)O SBB067749 [0,1,0,0,1,0|0,0,0]=2 276 B12R1.125 CC1=CC=CC=C1NCC(=O)O SBB016671 [0,1,0,0,1,0|1,0,0]=3 277 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O SBB003946 [0,1,0,0,1,0|0,0,2]=4 278 B12R1.125 NC(=O)COC1=CC=CC=C1Cl SBB116750 [0,1,0,0,1,0|2,0,0]=4 279 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SBB064066 [0,1,0,0,1,0|0,0,0]=2 280 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SBB069087 [0,1,0,0,1,0|0,0,0]=2 281 B12R1.125 O=C(O)CCC1=CC=CC=C1F SBB010203 [0,1,0,0,1,0|0,0,0]=2 282 B12R1.125 O=C(O)CCC1=CC=CC=C1O SBB063739 [0,1,0,0,1,0|0,0,0]=2 283 B12R1.125 O=C(O)CCN1C=CC=CC1=O SBB072181 [0,1,0,0,1,0|1,0,0]=3 284 B12R1.125 O=C(O)CNC1=CC=CC=C1Cl SBB063875 [0,1,0,0,1,0|1,0,0]=3 285 B12R1.125 O=C(O)COC1=C(O)C=CC=C1 SBB080750 [0,1,0,0,1,0|1,0,0]=3 286 B12R1.125 O=C(O)COC1=CC=CC=C1Br SBB038788 [0,1,0,0,1,0|1,0,0]=3 287 B12R1.125 O=C(O)COC1=CC=CC=C1Cl SBB004546 [0,1,0,0,1,0|1,0,0]=3 288 B12R1.125 O=C(O)COC1=CC=CC=C1F SBB007049 [0,1,0,0,1,0|1,0,0]=3 289 B12R1.125 O=C(O)\C=C\C1=C(Cl)C=CC=C1 SBB015306 [0,1,0,0,1,0|0,0,2]=4 290 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 SBB061928 [0,1,0,0,1,0|0,0,2]=4 291 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 SBB065726 [0,1,0,0,1,0|0,0,2]=4 292 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br SBB050858 [0,1,0,0,1,0|0,0,2]=4 293 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 SBB055142 [0,1,0,0,1,0|1,0,0]=3 294 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 SBB046298 [0,1,0,0,1,0|1,0,0]=3 295 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 SBB004530 [0,1,0,0,1,0|1,0,0]=3 296 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 SBB006620 [0,1,0,0,1,0|0,0,2]=4 297 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 SBB067747 [0,1,0,0,1,0|0,0,0]=2 298 B12R1.226 NC(=O)COC1=CC=CC(Cl)=C1 SBB090331 [0,1,0,0,1,0|2,0,0]=4 299 B12R1.226 NC1=CC(\C=C\C(=O)O)=CC=C1 SBB043435 [0,1,0,0,1,0|0,0,2]=4 300 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 SBB028355 [0,1,0,0,1,0|0,0,0]=2 301 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 SBB010231 [0,1,0,0,1,0|0,0,0]=2 302 B12R1.226 O=C(O)CCC1=CC(O)=CC=C1 SBB057915 [0,1,0,0,1,0|0,0,0]=2 303 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SBB063235 [0,1,0,0,1,0|0,0,0]=2 304 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SBB005906 [0,1,0,0,1,0|0,0,0]=2 305 B12R1.226 O=C(O)COC1=CC(Br)=CC=C1 SBB015442 [0,1,0,0,1,0|1,0,0]=3 306 B12R1.226 O=C(O)COC1=CC=CC(Cl)=C1 SBB043647 [0,1,0,0,1,0|1,0,0]=3 307 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 SBB027407 [0,1,0,0,1,0|1,0,0]=3 308 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 SBB057740 [0,1,0,0,1,0|0,0,2]=4 309 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 SBB042541 [0,1,0,0,1,0|0,0,2]=4 310 B12R1.226 OC(=O)\C=C\C1=CC(Cl)=CC=C1 SBB012383 [0,1,0,0,1,0|0,0,2]=4 311 B12R1.226 OC(=O)\C=C\C1=CC(F)=CC=C1 SBB006621 [0,1,0,0,1,0|0,0,2]=4 312 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 SBB057482 [0,1,0,0,1,0|1,0,0]=3 313 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SBB018064 [0,1,0,0,1,0|1,0,1]=4 314 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 SBB008555 [0,1,0,0,1,0|2,0,0]=4 315 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB057700 [0,1,0,0,1,0|2,0,0]=4 316 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 SBB072726 [0,1,0,0,1,0|2,0,0]=4 317 B12R1.891 O=S(=O)(O)CCC1=NC=CC=C1 SBB057680 [0,1,0,0,1,0|2,0,0]=4 318 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 SBB010490 [0,1,0,0,1,0|1,0,1]=4 319 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 SBB006959 [0,1,0,0,1,0|1,0,1]=4 320 B12R1.105 CC1=CN(CCCC(=O)O)N=C1 SBB022963 [0,1,0,0,1,0|2,0,0]=4 321 B12R1.105 CC1=NN(CCCC(=O)O)C=C1 SBB022967 [0,1,0,0,1,0|2,0,0]=4 322 B12R1.105 O=C(O)CCCN1C=C(Br)C=N1 SBB022966 [0,1,0,0,1,0|2,0,0]=4 323 B12R1.105 O=C(O)CCCN1C=C(Cl)C=N1 SBB022964 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.130 CC1=NC=CN1CCCC(=O)O SBB010495 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.264 CC(SCC1=CC=CO1)C(=O)O SBB010744 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.477 COC(=O)CSCC1=CC=CS1 SBB058541 [0,1,0,0,1,0|2,0,0]=4 327 B14R1.148 CC(=O)NCCOC1=CC(N)=CC=C1 SBB017881 [0,1,0,0,0,1|2,0,0]=4 328 B14R1.148 CC1=CC=CC(OCCCC(=O)O)=C1 SBB024155 [0,1,0,0,0,1|0,0,0]=2 329 B14R1.148 O=C(O)CCCOC1=CC(F)=CC=C1 SBB010970 [0,1,0,0,0,1|0,0,0]=2 330 B14R1.159 CC1=C(OCCCC(=O)O)C=CC=C1 SBB015479 [0,1,0,0,0,1|0,0,0]=2 331 B14R1.159 O=C(O)CCCOC1=CC=CC=C1F SBB027242 [0,1,0,0,0,1|0,0,0]=2 332 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SBB007811 [0,1,0,0,0,1|0,0,0]=2 333 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 SBB050152 [0,1,0,0,0,1|0,0,1]=3 334 B14R1.420 O=C(O)CSCC(=O)C1=CC=CC=C1 SBB000496 [0,1,0,0,0,1|0,0,1]=3 335 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=N1 SBB010916 [0,1,0,0,0,1|1,0,0]=3 336 B14R1.423 CN(CCC(=O)O)CC1=CC=CN=C1 SBB010914 [0,1,0,0,0,1|1,0,0]=3 337 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 SBB006920 [0,1,0,0,0,1|0,0,1]=3 338 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 SBB065278 [0,1,0,0,0,1|1,0,1]=4 339 B14R1.423 O=C(O)CCC(=O)NC1=CC=NC=C1 SBB010909 [0,1,0,0,0,1|1,0,1]=4 340 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 SBB045971 [0,1,0,0,0,1|0,0,1]=3 341 B14R1.677 CC(=O)NCCOC1=CC=C(C)C=C1 SBB072487 [0,1,0,0,0,1|2,0,0]=4 342 B14R1.677 CC(=O)NCCOC1=CC=C(Cl)C=C1 SBB072276 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.677 CC(=O)NCCOC1=CC=C(N)C=C1 SBB072945 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.677 CC(=O)NCCOC1=CC=C(O)C=C1 SBB071959 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.677 CC1=CC=C(OCCCC(=O)O)C=C1 SBB015616 [0,1,0,0,0,1|0,0,0]=2 346 B14R1.677 O=C(O)CCCCC1=CC=C(F)C=C1 SBB016923 [0,1,0,0,0,1|0,0,0]=2 347 B14R1.677 O=C(O)CCCCC1=CC=C(O)C=C1 SBB037869 [0,1,0,0,0,1|0,0,0]=2 348 B14R1.677 O=C(O)CCCOC1=CC=C(Cl)C=C1 SBB008253 [0,1,0,0,0,1|0,0,0]=2 349 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 SBB111688 [0,1,0,0,0,1|0,0,0]=2 350 B14R1.716 NCC(O)CNCCC1=CC=CC=C1 SBB300016 [0,1,0,0,0,1|1,0,1]=4 351 B14R1.716 O=C(CCl)NCCCC1=CC=CC=C1 SBB037901 [0,1,0,0,0,1|1,0,0]=3 352 B14R1.716 O=C(CCl)NCCOC1=CC=CC=C1 SBB011286 [0,1,0,0,0,1|2,0,0]=4 353 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 SBB001639 [0,1,0,0,0,1|1,0,1]=4 354 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 SBB058876 [0,1,0,0,0,1|1,0,1]=4 355 B14R1.6449 CC(SCCC1=NC=CC=C1)C(=O)O SBB300317 [0,1,0,0,0,1|1,0,0]=3 356 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SBB064584 [0,1,0,0,0,1|0,0,0]=2 357 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O SBB071425 [0,1,0,0,0,1|0,0,0]=2 358 B14R1.6449 N[C@@H](CSCC1=CC=CC=C1)C(=O)O SBB007644 [0,1,0,0,0,1|0,0,0]=2 359 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 SBB004569 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.149 CC1=CC=CC(N(C)CCC(=O)O)=C1 SBB303002 [0,2,0,0,0,0|1,0,0]=3 361 B14R1.149 CN(CCC(=O)O)C1=CC(F)=CC=C1 SBB303004 [0,2,0,0,0,0|1,0,0]=3 362 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Br)=C1 SBB004581 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(Cl)=C1 SBB004570 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.160 CN(CCC(=O)O)C1=C(F)C=CC=C1 SBB303003 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.160 O=C(O)CNC(=O)C1=C(Br)C=CC=C1 SBB004568 [0,2,0,0,0,0|1,0,1]=4 366 B14R1.160 O=C(O)CNC(=O)C1=C(Cl)C=CC=C1 SBB004567 [0,2,0,0,0,0|1,0,1]=4 367 B14R1.160 O=C(O)CNC(=O)C1=C(F)C=CC=C1 SBB004576 [0,2,0,0,0,0|1,0,1]=4 368 B14R1.160 O=C(O)CNC(=O)C1=C(I)C=CC=C1 SBB004565 [0,2,0,0,0,0|1,0,1]=4 369 B14R1.160 O=C(O)CNC(=O)C1=C(O)C=CC=C1 SBB000337 [0,2,0,0,0,0|1,0,1]=4 370 B14R1.163 COC(=O)CCC(=O)C1=CC=CC=C1 SBB008046 [0,2,0,0,0,0|0,0,1]=3 371 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O SBB004603 [0,2,0,0,0,0|1,0,1]=4 372 B14R1.415 O=C(NC(O)C(=O)O)C1=CC=CC=C1 SBB000336 [0,2,0,0,0,0|1,0,1]=4 373 B14R1.415 O=C(O)C(=O)CC(=O)C1=CC=CC=C1 SBB014905 [0,2,0,0,0,0|0,0,2]=4 374 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 SBB040537 [0,2,0,0,0,0|0,0,1]=3 375 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 SBB004566 [0,2,0,0,0,0|1,0,1]=4 376 B14R1.678 CC1=CC=C(C(O)CCC(=O)O)C=C1 SBB010911 [0,2,0,0,0,0|0,0,0]=2 377 B14R1.678 CN(CCC(=O)O)C1=CC=C(F)C=C1 SBB303005 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 SBB000329 [0,2,0,0,0,0|1,0,1]=4 379 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 SBB000956 [0,2,0,0,0,0|0,0,1]=3 380 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 SBB003421 [0,2,0,0,0,0|0,0,1]=3 381 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 SBB042480 [0,2,0,0,0,0|0,0,1]=3 382 B14R1.678 O=C(O)CCC(O)C1=CC=C(F)C=C1 SBB010969 [0,2,0,0,0,0|0,0,0]=2 383 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Br)C=C1 SBB004582 [0,2,0,0,0,0|1,0,1]=4 384 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 SBB004563 [0,2,0,0,0,0|1,0,1]=4 385 B14R1.678 O=C(O)CNC(=O)C1=CC=C(F)C=C1 SBB004562 [0,2,0,0,0,0|1,0,1]=4 386 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 SBB056531 [0,2,0,0,0,0|1,0,1]=4 387 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 SBB015222 [0,2,0,0,0,0|1,0,0]=3 388 B14R1.813 O=C(O)CNS(=O)(=O)C1=CC=CC=C1 SBB015317 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.76 COC1=CC(\C=C\CC(=O)O)=CC=C1 SBB115958 [0,2,0,0,0,0|0,0,2]=4 390 B14R1.687 CC1=CC(CCCC(=O)O)=CC=C1F SBB302378 [0,2,0,0,0,0|0,0,0]=2 391 B14R1.687 O=C(O)CSCC1=CC(Cl)=C(Cl)C=C1 SBB049919 [0,2,0,0,0,0|1,0,0]=3 392 B14R1.1025 CC1=CC(CSCC(=O)NN)=CC=C1 SBB046922 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.1025 NNC(=O)CSCC1=CC=CC(Cl)=C1 SBB046917 [0,2,0,0,0,0|2,0,0]=4 394 B14R1.96 COC1=CC=CC=C1CCCC(=O)O SBB303071 [0,2,0,0,0,0|0,0,0]=2 395 B14R1.96 COC1=CC=CC=C1CCNC(N)=O SBB091765 [0,2,0,0,0,0|2,0,0]=4 396 B14R1.161 CC1=C(OCC(O)C(=O)O)C=CC=C1 SBB014000 [0,2,0,0,0,0|1,0,0]=3 397 B14R1.337 CN(CC(=O)O)CC1=C(F)C=CC=C1 SBB303187 [0,2,0,0,0,0|1,0,0]=3 398 B14R1.337 N[C@@H](CC(=O)O)CC1=CC=CC=C1Cl SBB064587 [0,2,0,0,0,0|0,0,0]=2 399 B14R1.837 CC1=CC=CC=C1CSCC(=O)NN SBB046921 [0,2,0,0,0,0|2,0,0]=4 400 B14R1.837 NNC(=O)CSCC1=CC=CC=C1Br SBB046924 [0,2,0,0,0,0|2,0,0]=4 401 B14R1.837 NNC(=O)CSCC1=CC=CC=C1Cl SBB046916 [0,2,0,0,0,0|2,0,0]=4 402 B14R1.698 CC(CC(=O)O)SC1=CC=C(F)C=C1 SBB094975 [0,2,0,0,0,0|1,0,0]=3 403 B14R1.698 CN(CC(=O)O)CC1=CC=C(F)C=C1 SBB302219 [0,2,0,0,0,0|1,0,0]=3 404 B14R1.698 N[C@H](CC(=O)O)CC1=CC=C(Br)C=C1 SBB064590 [0,2,0,0,0,0|0,0,0]=2 405 B14R1.1485 O=C(O)CS(=O)(=O)CC1=CC=CC=C1 SBB049900 [0,2,0,0,0,0|1,0,0]=3 406 B14R1.679 CC(SCC1=CC=C(Cl)C=C1)C(=O)O SBB072997 [0,2,0,0,0,0|1,0,0]=3 407 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 SBB063261 [0,2,0,0,0,0|0,0,0]=2 408 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 SBB091985 [0,2,0,0,0,0|1,0,0]=3 409 B14R1.13 CC1=CC=C(CSCC(=O)NN)C=C1 SBB046923 [0,2,0,0,0,0|2,0,0]=4 410 B14R1.13 NNC(=O)CSCC1=CC=C(Br)C=C1 SBB046925 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.13 NNC(=O)CSCC1=CC=C(Cl)C=C1 SBB000701 [0,2,0,0,0,0|2,0,0]=4 412 B14R1.13 O=C(CCl)NCCC1=CC=C(Cl)C=C1 SBB037903 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.13 O=C(CCl)NCCC1=CC=C(F)C=C1 SBB302693 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.520 CCOC(=O)CCSC1=CC=CC=N1 SBB116779 [0,2,0,0,0,0|2,0,0]=4 415 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 SBB003613 [0,2,0,0,0,0|1,0,0]=3 416 B14R1.520 N#CCC(=O)NCCC1=CC=CC=C1 SBB023430 [0,2,0,0,0,0|2,0,0]=4 417 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [1,0,0,1,0,0|1,0,1]=4 418 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SBB056158 [1,0,0,1,0,0|1,0,1]=4 419 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SBB010168 [1,0,0,1,0,0|2,0,0]=4 420 B12R2.2 C1=CC=C(C2OCCO2)C=C1 SBB058599 [1,0,0,1,0,0|1,0,1]=4 421 B12R2.2 C1=CC=C(C2OCCS2)C=C1 SBB056712 [1,0,0,1,0,0|1,0,1]=4 422 B12R2.27 OCC1CC1C2=CC=CC=C2 SBB084422 [1,0,0,1,0,0|0,0,1]=3 423 B12R2.41 C1=CC2=C(C=C1)OCCCO2 SBB016570 [1,0,0,1,0,0|1,0,1]=4 424 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB000241 [1,0,0,1,0,0|1,0,1]=4 425 B12R2.1081 NC1CCCC2=C1C=CC=C2 SBB028283 [1,0,0,1,0,0|1,0,1]=4 426 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SBB066987 [1,0,0,1,0,0|0,0,0]=2 427 B12R2.1081 O=C1CCOC2=CC=CC=C12 SBB056286 [1,0,0,1,0,0|1,0,0]=3 428 B12R2.1081 OC1=COCC2=CC=CC=C12 SBB067393 [1,0,0,1,0,0|1,0,1]=4 429 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [1,0,0,1,0,0|0,0,1]=3 430 B12R2.1081 O[C@H]1CCOC2=CC=CC=C21 SBB086707 [1,0,0,1,0,0|1,0,1]=4 431 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SBB060525 [1,0,0,1,0,0|1,0,1]=4 432 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [0,0,0,1,1,0|0,0,2]=4 433 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SBB068599 [0,0,0,1,1,0|2,0,0]=4 434 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 SBB058834 [0,0,0,1,1,0|0,0,0]=2 435 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [0,0,0,1,1,0|1,0,0]=3 436 B12R2.24 O=C1CCN2C=CC=CC2=N1 SBB058237 [0,0,0,1,1,0|2,0,0]=4 437 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [0,0,0,1,1,0|2,0,0]=4 438 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [0,0,0,1,1,0|2,0,0]=4 439 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [0,0,0,1,1,0|2,0,0]=4 440 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SBB008511 [0,0,0,1,1,0|1,0,1]=4 441 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SBB053554 [0,0,0,1,1,0|0,0,0]=2 442 B14R2.2 O=C(O)CC1=CSC2=CC=CC=C12 SBB079524 [0,0,0,1,0,1|0,0,2]=4 443 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 SBB053422 [0,0,0,1,0,1|1,0,1]=4 444 B14R2.2 O=C(O)CN1C=CC2=C1C=CC=C2 SBB017976 [0,0,0,1,0,1|0,0,2]=4 445 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 SBB010151 [0,0,0,1,0,1|1,0,1]=4 446 B14R2.2 O=C(O)CN1N=NC2=C1C=CC=C2 SBB006998 [0,0,0,1,0,1|2,0,0]=4 447 B14R2.2 OC(=O)CC1=CNC2=C1C=CC=C2 SBB017530 [0,0,0,1,0,1|0,0,2]=4 448 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SBB056163 [0,0,0,1,0,1|1,0,0]=3 449 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 SBB055826 [0,0,0,1,0,1|1,0,0]=3 450 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,0,0,1,0,1|1,0,1]=4 451 B14R2.31359 O=C(O)C1CCCC2=C1C=CC=C2 SBB065730 [0,0,0,1,0,1|0,0,0]=2 452 B14R2.31359 O=C(O)C1CCNC2=CC=CC=C21 SBB053292 [0,0,0,1,0,1|0,0,0]=2 453 B14R2.31359 O=C(O)C1NCCC2=C1C=CC=C2 SBB000197 [0,0,0,1,0,1|0,0,0]=2 454 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 SBB003410 [0,0,0,1,0,1|0,0,0]=2 455 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 SBB003803 [0,1,0,1,0,0|1,0,1]=4 456 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 SBB008578 [0,1,0,1,0,0|1,0,0]=3 457 B14R2.68 OC1CCC(C2=CC=CC=C2)CC1 SBB008579 [0,1,0,1,0,0|1,0,1]=4 458 B14R2.25733 O=C1CC(C(=O)O)C2=CC=CC=C12 SBB053516 [0,1,0,1,0,0|0,0,1]=3 459 B14R2.300 CC(=O)N1CCC2=C1C=CC(N)=C2 SBB010097 [0,1,0,1,0,0|2,0,0]=4 460 B14R2.300 CC(=O)N1CCC2=CC(Br)=CC=C21 SBB080665 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 SBB053267 [0,1,0,1,0,0|0,0,2]=4 462 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 SBB039829 [0,1,0,1,0,0|1,0,1]=4 463 B14R2.768 O=C(O)CC1CC2=C(C=CC=C2)C1 SBB116894 [0,1,0,1,0,0|0,0,0]=2 464 B14R2.768 O=C(O)CN1CC2=CC=CC=C2C1 SBB027675 [0,1,0,1,0,0|1,0,0]=3 465 B14R2.768 O=C(O)CN1N=C2C=CC=CC2=N1 SBB012683 [0,1,0,1,0,0|2,0,0]=4 466 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 SBB047807 [0,1,0,1,0,0|2,0,0]=4 467 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 SBB010135 [0,1,0,1,0,0|1,0,1]=4 468 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 SBB003411 [0,1,0,1,0,0|1,0,0]=3 469 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 SBB013155 [0,1,0,1,0,0|1,0,0]=3 470 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 SBB053531 [0,1,0,1,0,0|0,0,0]=2 471 B14R2.781 O=C(O)C1CNC2=CC=CC=C2O1 SBB089531 [0,1,0,1,0,0|1,0,0]=3 472 B14R2.781 O=C(O)C1CNC2=NC=CC=C2O1 SBB053501 [0,1,0,1,0,0|2,0,0]=4 473 B14R2.781 O=C(O)C1COC2=CC=CC=C2C1 SBB053502 [0,1,0,1,0,0|1,0,0]=3 474 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 SBB000213 [0,1,0,1,0,0|1,0,0]=3 475 B14R2.781 O=C(O)[C@@H]1CC2=CC=CC=C2CN1 SBB053293 [0,1,0,1,0,0|1,0,0]=3 476 B14R2.598 CC1NC(=O)OC1C2=CC=CC=C2 SBB067625 [0,1,0,1,0,0|1,0,0]=3 477 B14R2.738 CC1CC(=O)NC2=CC=CC=C2N1 SBB039215 [0,1,0,1,0,0|2,0,0]=4 478 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O SBB001600 [0,1,0,1,0,0|2,0,0]=4 479 B14R2.741 CC1CNC2=C(C=CC=C2)NC1=O SBB027802 [0,1,0,1,0,0|2,0,0]=4 480 B14R2.741 O=C1NC2=CC=CC=C2CCC1Br SBB099210 [0,1,0,1,0,0|1,0,0]=3 481 B14R2.20 O=C1CCC(C2=CC=C(F)C=C2)O1 SBB067241 [0,1,0,1,0,0|0,0,0]=2 482 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 SBB022730 [0,1,0,1,0,0|0,0,0]=2 483 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 SBB018034 [0,1,0,1,0,0|0,0,0]=2 484 B14R2.5816 CC(=O)N1CCC2=CC=C(N)C=C21 SBB089182 [0,1,0,1,0,0|2,0,0]=4 485 B14R2.95 O=C(CBr)N1CCC2=C1C=CC=C2 SBB080037 [0,1,0,1,0,0|2,0,0]=4 486 B14R2.95 O=C(CCl)N1CCC2=CC=CC=C21 SBB000348 [0,1,0,1,0,0|2,0,0]=4 487 B14R2.958 NNC(=O)C1CC1C2=CC=CC=C2 SBB019657 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.18 CC(=O)CC1=CC=NC=C1 SBB055597 [0,0,0,0,2,0|2,0,0]=4 489 B10R1.18 CC(=O)NC1=CC=CC=C1 SBB040833 [0,0,0,0,2,0|2,0,0]=4 490 B10R1.18 CC(=O)OC1=CC=CC=C1 SBB058747 [0,0,0,0,2,0|2,0,0]=4 491 B10R1.18 NC(=O)CC1=CC=CC=C1 SBB017634 [0,0,0,0,2,0|1,0,0]=3 492 B10R1.18 NC(=O)NC1=CC=CC=C1 SBB058197 [0,0,0,0,2,0|2,0,0]=4 493 B10R1.18 NC(=S)CC1=CC=CC=C1 SBB016517 [0,0,0,0,2,0|1,1,0]=4 494 B10R1.18 O=C(Cl)CC1=CC=CC=C1 SBB040622 [0,0,0,0,2,0|1,0,0]=3 495 B10R1.18 O=C(Cl)OC1=CC=CC=C1 SBB060851 [0,0,0,0,2,0|2,0,0]=4 496 B10R1.18 O=C(O)CC1=CC=CN=C1 SBB003812 [0,0,0,0,2,0|1,0,0]=3 497 B10R1.18 O=C(O)CC1=NC=CC=C1 SBB003810 [0,0,0,0,2,0|1,0,0]=3 498 B10R1.18 OB(O)CC1=CC=CC=C1 SBB052526 [0,0,0,0,2,0|1,0,1]=4 499 B10R1.18 OC(=O)CC1=CC=NC=C1 SBB005759 [0,0,0,0,2,0|1,0,0]=3 500 B10R1.18 [NH2+](C(=O)Cl)C1=CC=CC=C1 SBB060746 [0,0,0,0,2,0|2,0,0]=4 501 B10R1.66 O=C(O)CCC1=CC=NO1 SBB013802 [0,0,0,0,2,0|2,0,0]=4 502 B10R1.66 O=C(O)CCN1C=CC=C1 SBB010274 [0,0,0,0,2,0|1,0,0]=3 503 B10R1.66 O=C(O)CCN1C=CC=N1 SBB047343 [0,0,0,0,2,0|2,0,0]=4 504 B10R1.66 O=C(O)CCN1C=CN=C1 SBB007368 [0,0,0,0,2,0|2,0,0]=4 505 B10R1.66 OC(=O)CCC1=CC=CO1 SBB005449 [0,0,0,0,2,0|1,0,0]=3 506 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 SBB080698 [0,0,0,0,0,2|1,0,0]=3 507 B14R1.422 O=C(O)CCCCCC1=CC=CC=C1 SBB071719 [0,0,0,0,0,2|0,0,0]=2 508 B14R1.422 O=C(O)CCSCCC1=CC=NC=C1 SBB048658 [0,0,0,0,0,2|1,0,0]=3 509 B14R1.422 O=C(O)CCS\C=C\C1=CC=CC=C1 SBB053595 [0,0,0,0,0,2|0,0,1]=3 510 B14R1.422 O=C(O)COCCOC1=CC=CC=C1 SBB056594 [0,0,0,0,0,2|0,0,0]=2