0 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,0|2,1,0]=3 5 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,0|1,1,0]=2 8 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,0,0,0,0,0|2,1,1]=4 11 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,0,0,0,0,0|2,0,1]=3 13 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,0|1,1,0]=2 23 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,0|1,1,0]=2 25 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,0|3,1,0]=4 26 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,0|1,0,1]=2 28 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,0|2,0,1]=3 29 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,0|2,0,0]=2 31 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,0|3,0,0]=3 32 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,0|3,0,0]=3 33 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,0|2,0,0]=2 34 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,0|1,1,0]=2 35 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,0|1,0,2]=3 37 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,0|1,0,2]=3 38 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,0|0,0,1]=1 39 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,0|0,1,1]=2 40 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,0|3,0,0]=3 41 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,0,0,0,0,0|1,1,1]=4 44 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|1,1,1]=4 45 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,0,0,0,0,0|0,1,0]=2 46 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,0,0,0,0|2,0,0]=3 47 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|1,1,1]=4 48 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,0,0,0,0|1,1,0]=3 49 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,0,0,0,0,0|2,0,1]=4 52 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,0|1,1,0]=3 56 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,0,0|0,1,0]=2 63 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)N S343307 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,1,0,0,0,0|2,0,0]=3 67 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,0|2,0,0]=3 69 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,0|1,1,0]=3 72 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,0,0|1,0,0]=2 74 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,1,0,0,0,0|3,0,0]=4 79 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,0|2,0,0]=3 81 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,1,0,0,0,0|1,0,0]=2 82 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,0|1,0,0]=2 86 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [0,1,0,0,0,0|2,0,1]=4 87 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,1,0,0,0,0|1,1,1]=4 90 B12R1.27 OCC(O)COC1=CN=CC=C1 PH008942 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,1,0,0,0,0|0,1,2]=4 92 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,0|2,0,0]=3 94 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,0|2,0,0]=3 95 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,0|2,0,0]=3 96 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,0|0,1,0]=2 97 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,0|1,1,0]=3 98 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O EME00361 [0,1,0,0,0,0|2,1,0]=4 99 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,0,0|2,0,0]=3 101 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,0,0|2,0,0]=3 102 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,0|1,0,1]=3 104 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,0|1,0,1]=3 105 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,0,0,0,0|1,0,1]=3 112 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,0,0|1,0,0]=2 115 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,1,0,0,0,0|2,1,0]=4 118 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,1,0,0,0,0|1,0,1]=3 120 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,0,0|1,0,0]=2 121 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,1,0,0,0,0|1,1,0]=3 122 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,1,0,0,0,0|1,0,1]=3 123 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,0|1,0,0]=2 124 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,0,0|0,1,0]=2 125 B12R1.125 CC1=CC=CC=[N+]1CCC(=O)N S343285 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,0|1,0,0]=2 129 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,0,0,0,0|1,0,1]=3 130 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,0,0,0,0|1,0,1]=3 132 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,0,0|1,0,0]=2 133 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,0,0|1,0,0]=2 134 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,0,0|1,0,0]=2 135 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,0,0|3,0,0]=4 138 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,0,0|0,0,0]=1 139 B12R1.226 CC1=CC=NC(=N1)SCC(=O)O S359351 [0,1,0,0,0,0|2,1,0]=4 140 B12R1.226 CC1=C[N+](=CC=C1)CCC(=O)N S343293 [0,1,0,0,0,0|3,0,0]=4 141 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,0,0|1,0,0]=2 143 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,0,0|1,0,0]=2 144 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,0,0|1,0,0]=2 145 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [0,1,0,0,0,0|2,0,1]=4 147 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,1,0,0,0,0|2,0,0]=3 149 B12R1.891 O=S(=O)(O)CCC1=CC=CC=N1 PH010890 [0,1,0,0,0,0|3,0,0]=4 150 B12R1.891 O=S(=O)([O-])CNC1=CC=CC=C1 S505595 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,0,0,1,0,0|2,1,0]=4 152 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,0|2,0,1]=4 153 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,0,0,1,0,0|2,1,0]=4 154 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,0|2,0,1]=4 155 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,0|2,0,1]=4 156 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,0|1,0,0]=2 158 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,0,0,1,0,0|2,1,0]=4 161 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,1,0,0|2,0,1]=4 162 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,0|2,0,1]=4 163 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,1,0,0|1,0,2]=4 164 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,0,0,1,0,0|2,1,0]=4 165 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,0,0,1,0,0|1,1,0]=3 166 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,1,0|2,0,0]=3 167 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,1,0|2,0,0]=3 168 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,1,0|2,0,0]=3 169 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,0,0,0,1,0|3,0,0]=4 170 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,1,0|2,0,0]=3 171 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,1,0|2,0,0]=3 172 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,1,0|3,0,0]=4 173 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,0,0,1,0|3,0,0]=4 174 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,0,0,1,0|3,0,0]=4 175 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,0,0,1,0|3,0,0]=4 176 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,1,0|2,0,0]=3 177 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,1,0|2,0,0]=3 178 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,1,0|1,1,0]=3 179 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,1,0|2,0,0]=3 180 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,1,0|1,0,1]=3 181 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,1,0|1,0,1]=3 182 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,1,0|1,0,1]=3 183 B10R1.66 O=C(O)CCC1=CON=C1 CDS008176 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.66 O=C(O)CCN1C=CC=N1 CBR00771 [0,0,0,0,1,0|3,0,0]=4 185 B10R1.66 O=C(O)CCN1C=CN=C1 CDS007822 [0,0,0,0,1,0|3,0,0]=4 186 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,1|2,0,0]=3 187 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,1|2,0,1]=4 188 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,1|1,1,0]=3 189 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,1|1,1,0]=3 190 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,1|3,0,0]=4 191 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,1|2,0,0]=3 192 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,0,0,0,0,1|3,0,0]=4 193 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,1|3,0,0]=4 194 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [0,0,0,0,0,1|2,0,1]=4 195 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,0,0,0,0,1|2,0,1]=4 196 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,0,0,0,0,1|1,1,1]=4 197 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,0,0,0,0,1|2,0,1]=4 198 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,0,0,0,0,1|1,0,1]=3 199 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,0,0,0,0,1|2,0,1]=4 200 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,0,0,0,0,1|3,0,0]=4 201 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,1|2,0,0]=3 202 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,1|1,1,0]=3 203 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,1|2,0,0]=3 204 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,0,0,0,0,1|2,1,0]=4 205 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,1|2,0,0]=3 206 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,1|1,0,0]=2 207 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,1|0,1,0]=2 208 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,1|0,1,0]=2 209 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,0,1|2,0,0]=3 210 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|0,0,2]=4 211 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,0,1]=4 212 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|1,0,1]=4 214 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|1,0,1]=4 218 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [1,1,0,0,0,0|1,0,1]=4 220 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [1,1,0,0,0,0|1,1,0]=4 224 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [1,1,0,0,0,0|1,1,0]=4 225 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [1,1,0,0,0,0|1,0,1]=4 228 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [1,1,0,0,0,0|0,1,1]=4 229 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [1,1,0,0,0,0|1,0,1]=4 232 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [1,1,0,0,0,0|1,0,1]=4 233 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [1,1,0,0,0,0|0,0,1]=3 238 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [1,1,0,0,0,0|0,1,1]=4 239 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,1,0,0,0,0|2,0,0]=4 240 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [1,1,0,0,0,0|2,0,0]=4 244 B11R1.17 C=CCOC1=C(C=CN=C1)I PH017301 [1,1,0,0,0,0|2,0,0]=4 245 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.17 C=CCON1C=CC=CC1=O T163252 [1,1,0,0,0,0|2,0,0]=4 248 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [1,1,0,0,0,0|1,1,0]=4 249 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.17 NC1=C(C=CN=C1)OCCO ADE000692 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.17 NC1=CC=CN=C1OCCO ADE000693 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.17 OCCOC1=NC=CC=C1O ADE000107 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [1,1,0,0,0,0|0,0,1]=3 263 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [1,1,0,0,0,0|0,0,1]=3 266 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [1,1,0,0,0,0|0,0,1]=3 268 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,1,0]=4 271 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,1,0,0,0,0|0,0,1]=3 275 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,1,0,0,0,0|0,1,1]=4 276 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,1,0,0,0,0|0,1,1]=4 277 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,1,0,0,0,0|1,1,0]=4 278 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [1,1,0,0,0,0|0,0,1]=3 282 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,1,0,0,0,0|0,1,1]=4 286 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,1,0|1,0,0]=3 288 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.20 CC(=O)CC1=CC=C(C=N1)C CBR01484 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,1,0|2,0,0]=4 291 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,1,0|1,1,0]=4 294 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,1,0|1,0,0]=3 296 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,1,0|1,0,0]=3 298 B11R1.20 CC1=CC=[N+](C=C1)CC(=O)N S242551 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,1,0|1,0,0]=3 300 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,0,0,1,0|1,1,0]=4 303 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,1,0|0,1,0]=3 304 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,1,0|2,0,0]=4 305 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,1,0|1,1,0]=4 306 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,1,0|1,0,0]=3 307 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [0,1,0,0,1,0|1,1,0]=4 308 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,1,0|1,0,0]=3 309 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,1,0|1,0,0]=3 311 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,0,0,1,0|1,0,1]=4 312 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,0,0,1,0|1,0,1]=4 313 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,0,0,1,0|1,0,1]=4 314 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,0,0,1,0|1,0,1]=4 315 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,0,0,1,0|1,0,1]=4 316 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,0,0,1,0|1,0,1]=4 317 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,1,0|1,0,0]=3 319 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,1,0|0,0,0]=2 320 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,1,0|0,0,0]=2 321 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,1,0|1,0,0]=3 322 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [0,1,0,0,1,0|1,0,1]=4 323 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,0,0,1,0|1,0,1]=4 324 B11R1.86 CC(=O)CC1=C(C=CC=N1)C CBR00268 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,1,0|1,0,0]=3 326 B11R1.86 CC(=O)CC1=CC=CC=[N+]1C R433691 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.86 CC(=O)C[N+]1=C(C=CC=C1)C OTV000875 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.86 CC(=O)ON1C=CC=CC1=O T301086 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,1,0|1,0,0]=3 332 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,1,0|2,0,0]=4 333 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,0,0,1,0|2,0,0]=4 334 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,1,0|1,0,0]=3 335 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,1,0|1,0,0]=3 336 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,1,0|1,0,0]=3 337 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,1,0|1,0,0]=3 338 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,1,0|2,0,0]=4 339 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,1,0|1,0,0]=3 342 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,1,0|0,0,0]=2 343 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,1,0|1,0,0]=3 344 B11R1.86 O=C(O)CN1C=CC=NC1=O CBR00231 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,1,0|1,0,0]=3 346 B11R1.157 CC(=O)CC1=CC=CC(=N1)C CBR00392 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.157 NC(=O)C[N+]1=CC=CC(=C1)F S914169 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,1,0|0,0,1]=3 355 B11R1.157 O=C([O-])C[N+]1=CC=CC(=C1)O PH007028 [0,1,0,0,1,0|1,0,1]=4 356 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,0,0,1,0|1,0,1]=4 357 B11R1.509 NS(=O)(=O)OC1=CC=CC=C1 PH008054 [0,1,0,0,1,0|1,0,1]=4 358 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.509 O=S(=O)([O-])CC1=CC=CC=C1 S808962 [0,1,0,0,1,0|1,0,1]=4 360 B11R1.25 COC(=O)CCC1=CC=CN1 CDS005344 [0,1,0,0,1,0|2,0,0]=4 361 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CDS005041 [0,1,0,0,1,0|2,0,0]=4 362 B11R1.77 NC(CC(=O)O)C1=CC=CO1 PH003730 [0,1,0,0,1,0|2,0,0]=4 363 B11R1.77 NC(CC(=O)O)C1=CC=CS1 PH003731 [0,1,0,0,1,0|2,0,0]=4 364 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [0,1,0,0,0,1|1,0,1]=4 365 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,0,1|2,0,0]=4 367 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [0,1,0,0,0,1|2,0,0]=4 368 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,1,0,0,0,1|1,0,0]=3 369 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,1,0,0,0,1|2,0,0]=4 370 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,1,0,0,0,1|1,1,0]=4 371 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,0,1|1,0,0]=3 372 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [0,1,0,0,0,1|1,0,0]=3 373 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br EME00137 [0,1,0,0,0,1|0,1,0]=3 374 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,0,0,0,1|1,0,0]=3 375 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,0,0,0,1|0,1,0]=3 376 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [0,1,0,0,0,1|1,0,0]=3 377 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,0,0,0,1|1,0,0]=3 378 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,1,0,0,0,1|1,0,0]=3 379 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,1,0,0,0,1|2,0,0]=4 380 B13R1.348 CN(CC(=O)O)CC1=CC=CC=N1 CBR00611 [0,1,0,0,0,1|2,0,0]=4 381 B13R1.348 CN(CC(=O)O)CC1=CC=CN=C1 CBR00618 [0,1,0,0,0,1|2,0,0]=4 382 B13R1.348 CN(CC(=O)O)CC1=CC=NC=C1 CBR01218 [0,1,0,0,0,1|2,0,0]=4 383 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,1,0,0,0,1|2,0,0]=4 384 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,1,0,0,0,1|1,0,1]=4 385 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,1|1,0,1]=4 386 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,1|0,1,0]=3 387 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,1|0,1,0]=3 388 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,1|1,0,0]=3 389 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,1,0,0,0,1|1,0,0]=3 390 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,1,0,0,0,1|0,1,0]=3 391 B13R1.513 NC(=O)CCCC1=CC=C(C=C1)Br S561223 [0,1,0,0,0,1|2,0,0]=4 392 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl S44475 [0,1,0,0,0,1|1,1,0]=4 393 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,1,0,0,0,1|1,0,0]=3 394 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,1,0,0,0,1|1,0,0]=3 395 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,1,0,0,0,1|0,1,0]=3 396 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,1,0,0,0,1|0,1,0]=3 397 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,1,0,0,0,1|1,0,0]=3 398 B13R1.718 COC(=O)CCNC1=NC=CC=C1 EME00312 [0,1,0,0,0,1|2,0,0]=4 399 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,1,0,0,0,1|0,0,0]=2 400 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,1,0,0,0,1|0,1,0]=3 401 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,1,0,0,0,1|0,1,0]=3 402 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,1,0,0,0,1|2,0,0]=4 403 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [0,1,0,0,0,1|1,0,1]=4 404 B13R1.718 O=C(CBr)NCCC1=CC=CC=C1 CDS006204 [0,1,0,0,0,1|2,0,0]=4 405 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 R397792 [0,1,0,0,0,1|2,0,0]=4 406 B13R1.3523 CS(=O)(=O)CCOC1=CC=CC=C1 PH007511 [0,1,0,0,0,1|1,0,1]=4 407 B13R1.3523 O=S(=O)([O-])CCOC1=CC=CC=C1 S588431 [0,1,0,0,0,1|1,0,1]=4 408 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [0,2,0,0,0,0|1,0,0]=3 409 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [0,2,0,0,0,0|0,0,1]=3 410 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,2,0,0,0,0|1,0,1]=4 411 B13R1.3 COC1=CC=C(C=C1)CCC(=O)Cl PH014654 [0,2,0,0,0,0|2,0,0]=4 412 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,2,0,0,0,0|0,0,0]=2 413 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,2,0,0,0,0|1,0,1]=4 415 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,2,0,0,0,0|0,0,0]=2 417 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,2,0,0,0,0|0,0,0]=2 419 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,2,0,0,0,0|0,1,0]=3 420 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,2,0,0,0,0|1,0,0]=3 421 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,2,0,0,0,0|0,0,0]=2 422 B13R1.14 OC(CCl)COC1=CC=C(C=C1)Cl PH008707 [0,2,0,0,0,0|1,0,1]=4 423 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,2,0,0,0,0|2,0,0]=4 424 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,2,0,0,0,0|1,0,0]=3 425 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,2,0,0,0,0|1,0,0]=3 426 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,2,0,0,0,0|1,0,0]=3 427 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,2,0,0,0,0|1,0,0]=3 430 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,2,0,0,0,0|2,0,0]=4 432 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,2,0,0,0,0|1,0,0]=3 433 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,2,0,0,0,0|0,0,0]=2 435 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,2,0,0,0,0|0,0,0]=2 436 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,2,0,0,0,0|1,0,1]=4 437 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.133 NC(CC1=CC=[N+](C=C1)[O-])C(=O)O PH003272 [0,2,0,0,0,0|2,0,0]=4 441 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [0,2,0,0,0,0|0,0,1]=3 443 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,2,0,0,0,0|1,0,0]=3 444 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,2,0,0,0,0|1,0,1]=4 445 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [0,2,0,0,0,0|1,0,0]=3 446 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,2,0,0,0,0|1,0,1]=4 448 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,2,0,0,0,0|1,0,0]=3 449 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,2,0,0,0,0|0,0,0]=2 450 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br EME00177 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.164 NC(=S)COC1=CC=C(C=C1Cl)Cl PH016696 [0,2,0,0,0,0|1,1,0]=4 452 B13R1.164 O=C(Cl)COC1=C(C=C(C=C1)Cl)Cl PH014592 [0,2,0,0,0,0|1,0,0]=3 453 B13R1.164 O=C(O)/C=C/C1=C(C=C(C=C1)F)Cl R436704 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,2,0,0,0,0|1,0,0]=3 455 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,2,0,0,0,0|1,0,0]=3 456 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,2,0,0,0,0|1,0,0]=3 457 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,2,0,0,0,0|1,0,0]=3 458 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,2,0,0,0,0|0,0,0]=2 459 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,2,0,0,0,0|0,1,0]=3 461 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,2,0,0,0,0|1,0,1]=4 463 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,2,0,0,0,0|1,0,0]=3 464 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,2,0,0,0,0|1,0,0]=3 465 B13R1.11 NNC(=O)CC(O)C1=CC=CC=C1 PH008854 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.11 [C@H](C)(CC(=O)NN)C1=CC=CC=C1 T203815 [0,2,0,0,0,0|2,0,0]=4 467 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.15 N/C(=N\O)/COC1=CC(=CC=C1)Br PH012683 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.42 C=C(CCO)CSC1=CC=CC=C1 T232815 [0,2,0,0,0,0|1,1,0]=4 471 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 PH003746 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,2,0,0,0,0|0,1,0]=3 474 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,2,0,0,0,0|2,0,0]=4 476 B13R1.42 CNCC(O)COC1=CC=CC=C1 CDS001676 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,2,0,0,0,0|1,0,0]=3 478 B13R1.42 O=C(/C=C/C1=CC=CC=C1)/C=N/O PH007040 [0,2,0,0,0,0|1,0,1]=4 479 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,2,0,0,0,0|0,0,0]=2 481 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,2,0,0,0,0|0,1,0]=3 482 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,2,0,0,0,0|1,0,0]=3 483 B13R1.135 COC(=O)C(N)CC1=NC=CC=C1 PH019122 [0,2,0,0,0,0|2,0,0]=4 484 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.135 COC(=O)[C@H](N)CC1=CC=CN=C1 CDS006818 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO S423300 [0,2,0,0,0,0|0,0,2]=4 488 B13R1.528 CC1=CC=CC=C1OC/C(=N/O)/N PH012692 [0,2,0,0,0,0|1,0,0]=3 489 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [0,2,0,0,0,0|1,0,0]=3 490 B13R1.528 CC1=CC=CC=C1OCC(O)CN CDS016319 [0,2,0,0,0,0|1,0,1]=4 491 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,2,0,0,0,0|1,0,0]=3 492 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,2,0,0,0,0|1,0,1]=4 493 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,2,0,0,0,0|1,0,0]=3 494 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Br PH012677 [0,2,0,0,0,0|1,0,0]=3 495 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Cl PH012678 [0,2,0,0,0,0|1,0,0]=3 496 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.528 OCC(O)COC1=CC=CC=C1Cl S752185 [0,2,0,0,0,0|0,0,2]=4 498 B13R1.528 OCC(O)COC1=CC=CC=C1F S751871 [0,2,0,0,0,0|0,0,2]=4 499 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,2,0,0,0,0|1,0,1]=4 500 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,2,0,0,0,0|1,0,1]=4 501 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,2,0,0,0,0|1,0,1]=4 502 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,2,0,0,0,0|2,0,0]=4 503 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,2,0,0,0,0|0,0,0]=2 504 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,2,0,0,0,0|1,0,1]=4 505 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,2,0,0,0,0|1,0,1]=4 506 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,2,0,0,0,0|1,0,1]=4 507 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,2,0,0,0,0|1,0,1]=4 508 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [0,2,0,0,0,0|1,0,0]=3 509 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,2,0,0,0,0|1,0,0]=3 511 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,2,0,0,0,0|1,0,0]=3 512 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,2,0,0,0,0|1,0,0]=3 513 B13R1.152 NC(C(=O)O)C(O)C1=CN=CC=C1 S914975 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.152 O=C(Cl)C(Br)C(Br)C1=CC=CC=C1 S675954 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,2,0,0,0,0|1,0,0]=3 517 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,2,0,0,0,0|1,0,0]=3 518 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,2,0,0,0,0|1,0,1]=4 519 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,2,0,0,0,0|0,0,0]=2 521 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,2,0,0,0,0|0,0,0]=2 522 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,2,0,0,0,0|1,0,0]=3 523 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,2,0,0,0,0|0,0,0]=2 524 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,2,0,0,0,0|2,0,0]=4 527 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,2,0,0,0,0|0,0,0]=2 528 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.1073 CC(C)(NC1=CC=CC=C1)P(=O)O PH009542 [0,2,0,0,0,0|2,0,0]=4 532 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,2,0,0,0,0|0,0,0]=2 534 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,2,0,0,0,0|0,1,0]=3 535 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)Cl PH006840 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,2,0,0,0,0|2,0,0]=4 537 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 S657409 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.352 O=C(CS(=O)(=O)O)C1=CC=CC=C1 T164151 [0,2,0,0,0,0|2,0,0]=4 541 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,2,0,0,0,0|1,0,0]=3 542 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [0,2,0,0,0,0|1,0,0]=3 543 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O R761990 [0,2,0,0,0,0|1,0,0]=3 544 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [0,2,0,0,0,0|0,0,0]=2 545 B13R1.90 COC1=C(C=CC=C1)OCC(C)O PH011169 [0,2,0,0,0,0|1,0,1]=4 546 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [0,2,0,0,0,0|1,0,0]=3 547 B13R1.90 COC1=CC=CC=C1OCC(=N)N CBR01209 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.90 C[Se]C1=CC=CC=C1/C=C/C(=O)O S893102 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O T314889 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O CDS011537 [0,2,0,0,0,0|0,0,0]=2 551 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,2,0,0,0,0|0,0,0]=2 552 B13R1.150 CC1=C(C=CC=C1NCC(=O)O)Cl T110809 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl R946540 [0,2,0,0,0,0|1,0,1]=4 555 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,2,0,0,0,0|1,0,1]=4 556 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,2,0,0,0,0|0,0,0]=2 557 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,2,0,0,0,0|0,0,0]=2 558 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)I)F L134279 [0,2,0,0,0,0|1,0,1]=4 559 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,2,0,0,0,0|0,0,0]=2 561 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,2,0,0,0,0|0,0,0]=2 562 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl PH011457 [0,2,0,0,0,0|0,1,0]=3 563 B13R1.3787 C(=C/C1=C(C=CC=C1F)Cl)\C(=O)O R435929 [0,2,0,0,0,0|1,0,1]=4 564 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,2,0,0,0,0|0,0,0]=2 565 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R157198 [0,2,0,0,0,0|1,0,1]=4 566 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R435627 [0,2,0,0,0,0|1,0,1]=4 567 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl S463531 [0,2,0,0,0,0|1,0,1]=4 568 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl PH010790 [0,2,0,0,0,0|0,1,0]=3 569 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)N EME00031 [0,2,0,0,0,0|1,0,0]=3 571 B13R1.643 NC(=O)COC1=CC=CC(=C1)C=O CBR01186 [0,2,0,0,0,0|1,0,0]=3 572 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C CBR00487 [0,2,0,0,0,0|1,0,0]=3 573 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C S408174 [0,2,0,0,0,0|0,0,0]=2 574 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,0,1,1,0,0|1,0,1]=4 575 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|1,0,1]=4 576 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [1,0,0,1,0,0|2,0,0]=4 577 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [1,0,0,1,0,0|2,0,0]=4 578 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [1,0,0,1,0,0|1,0,1]=4 580 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|2,0,0]=4 581 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [1,0,0,1,0,0|1,0,1]=4 583 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,1,0,0|2,0,0]=4 585 B11R2.10 BrP1OC2=C(O1)C=CC=C2 S626414 [0,0,0,1,1,0|2,0,0]=4 586 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,0,1,1,0|1,0,1]=4 587 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,1,0|2,0,0]=4 588 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,1,0|1,1,0]=4 589 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,1,0|1,1,0]=4 590 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,1,0|0,1,0]=3 591 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S301604 [0,0,0,1,0,1|1,0,0]=3 592 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S554243 [0,0,0,1,0,1|1,0,0]=3 593 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,1,0,1|1,1,0]=4 594 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,0,0,1,0,1|2,0,0]=4 595 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 PH018168 [0,0,0,1,0,1|2,0,0]=4 596 B13R2.72 NC(=O)N1CCC2=CC=CC=C12 T325570 [0,0,0,1,0,1|2,0,0]=4 597 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [0,0,0,1,0,1|0,0,1]=3 598 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,0,0,1,0,1|1,0,1]=4 599 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 PH006834 [0,0,0,1,0,1|0,1,1]=4 600 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [0,0,0,1,0,1|0,0,1]=3 601 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [0,0,0,1,0,1|0,0,1]=3 602 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,0,0,1,0,1|1,0,0]=3 603 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,0,0,1,0,1|1,0,0]=3 604 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 T203084 [0,0,0,1,0,1|2,0,0]=4 605 B13R2.163 O=C1CCCC2=CC=CC=C2N1 T167568 [0,0,0,1,0,1|2,0,0]=4 606 B13R2.163 O=C1CCNC2=CC=CC=C2N1 T324922 [0,0,0,1,0,1|2,0,0]=4 607 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,0,0,1,0,1|2,0,0]=4 608 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,0,0,1,0,1|0,0,1]=3 609 B13R2.155 CC1=CN=C2OCC(=O)NC2=C1 ADE001276 [0,1,0,1,0,0|2,0,0]=4 610 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,1,0,0|1,0,1]=4 611 B13R2.155 NC1=CC=C2CCC(=O)NC2=C1 CDS006614 [0,1,0,1,0,0|2,0,0]=4 612 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|1,0,0]=3 613 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,1,0,1,0,0|1,0,0]=3 614 B13R2.155 O=C1COC2=NC=C(C=C2N1)Br ADE001263 [0,1,0,1,0,0|2,0,0]=4 615 B13R2.155 O=C1COC2=NC=C(C=C2N1)I ADE001266 [0,1,0,1,0,0|2,0,0]=4 616 B13R2.155 O=C1CSC2=CC=C(C=C2N1)Br VBP00121 [0,1,0,1,0,0|1,1,0]=4 617 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 S434396 [0,1,0,1,0,0|1,0,1]=4 618 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [0,1,0,1,0,0|1,0,1]=4 619 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,1,0,1,0,0|1,1,0]=4 620 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,1,0,0|1,0,1]=4 621 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,1,0,1,0,0|2,0,0]=4 622 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 T199613 [0,1,0,1,0,0|2,0,0]=4 623 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,1,0,1,0,0|2,0,0]=4 624 B13R2.57 ClCC1COC2=CC=CC=C2O1 PH011072 [0,1,0,1,0,0|1,0,1]=4 625 B13R2.57 N#CC1COC2=C(O1)C=CC=C2 PH011180 [0,1,0,1,0,0|1,0,1]=4 626 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,0|1,0,1]=4 627 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|2,0,0]=4 628 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|1,0,0]=3 629 B13R2.369 CC1NC2=C(C=CC=C2)NC1=O R227021 [0,1,0,1,0,0|2,0,0]=4 630 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,1,0,1,0,0|1,0,0]=3 631 B13R2.369 CC1SC2=CC=CC=C2NC1=O JRD0961 [0,1,0,1,0,0|1,1,0]=4 632 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,1,0,0|1,0,1]=4 633 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,1,0,1,0,0|1,0,1]=4 635 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,1,0,1,0,0|0,0,0]=2 636 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,1,0,0|1,0,1]=4 637 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,1,0,0|1,0,1]=4 638 B13R2.3587 ClC1=CC=CC=C1OCC2CO2 PH000067 [0,1,0,1,0,0|1,0,1]=4 639 B13R2.3587 FC1=CC=CC=C1OCC2CO2 PH014798 [0,1,0,1,0,0|1,0,1]=4 640 B13R2.162 O=C1CCC2=C(C1)C(=CC=C2)Br PH014667 [0,1,0,1,0,0|2,0,0]=4 641 B13R2.162 O=C1CCC2=CC=CC(=C2C1)Cl PH014571 [0,1,0,1,0,0|2,0,0]=4 642 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,1,0,0|1,0,1]=4 643 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|1,0,0]=3 644 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 IDF00008 [0,1,0,1,0,0|1,1,0]=4 645 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,1,0,0|1,0,1]=4 646 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,1,0,0|1,0,1]=4 647 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,1,0,0|1,0,1]=4 648 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|1,0,0]=3 649 B13R2.3683 O=C1CCC2=CC(=CC=C2S1)Cl IDF00017 [0,1,0,1,0,0|1,1,0]=4 650 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,1,0,1,0,0|1,0,0]=3 651 B13R2.3683 O=C1COC2=NC(=CC=C2N1)I ADE001264 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.3683 O=C1CSC2=CC(=CC=C2N1)F JRD0648 [0,1,0,1,0,0|1,1,0]=4 653 B13R2.5331 CC1=CC(=CC=C1)OCC2CO2 PH011100 [0,1,0,1,0,0|1,0,1]=4 654 B13R2.5331 FC1=CC(=CC=C1)OCC2CO2 PH014771 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,2,0|2,0,0]=4 656 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,2,0|2,0,0]=4 657 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,2,0|1,0,0]=3 658 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,2,0|1,0,0]=3 659 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,2,0|2,0,0]=4 660 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,2,0|0,0,2]=4 661 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,2,0|0,0,1]=3 662 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,2,0|1,0,0]=3 663 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,0,0,0,2,0|2,0,0]=4 664 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,0,0,0,2,0|2,0,0]=4 665 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,2,0|1,0,0]=3 666 B9R1.13 O=C(O)CC1=CSC=N1 CDS019681 [0,0,0,0,2,0|2,0,0]=4 667 B9R1.13 O=C(O)CC1=CSC=N1 OTV000637 [0,0,0,0,2,0|2,0,0]=4 668 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,0,0,0,2,0|2,0,0]=4 669 B9R1.13 O=C(O)CN1C=CN=C1 CDS000415 [0,0,0,0,2,0|2,0,0]=4 670 B13R1.337 CC(=CCCOC1=CC=CC=C1)C S36987 [0,0,0,0,0,2|2,0,0]=4 671 B13R1.337 CC(=O)OCCSC1=CC=CC=C1 S866393 [0,0,0,0,0,2|1,1,0]=4 672 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,0,0,0,0,2|2,0,0]=4 673 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 S620157 [0,0,0,0,0,2|1,1,0]=4 674 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 PH006883 [0,0,0,0,0,2|2,0,0]=4 675 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,0,0,0,0,2|1,0,0]=3 676 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,0,0,0,0,2|1,0,0]=3 677 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,0,0,0,0,2|0,0,0]=2 678 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,0,0,0,0,2|0,1,0]=3 679 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 S541567 [0,0,0,0,0,2|0,1,0]=3