0 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,0,0,0,0,0|0,0,1]=1 1 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 CN(C)/C=C/C1=CC=NC=C1 PH014856 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,0,0,0,0,0|2,1,1]=4 20 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,0,0,0,0,0|2,1,1]=4 21 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,0,0,0,0,0|0,0,0]=0 23 B11R1.91 O=C(O)/C=C/C1=CC=CC=N1 CDS014259 [0,0,0,0,0,0|1,0,0]=1 24 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 S786993 [0,0,0,0,0,0|1,0,0]=1 25 B11R1.91 O=C(O)/C=C/C1CCC=CO1 CDS022229 [0,0,0,0,0,0|1,0,3]=4 26 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,0,0,0,0,0|1,0,2]=3 27 B11R1.91 O=C(O)CCC1=NC=CC=N1 S217417 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.91 O=C(O)CCC1=NC=CN=C1 CDS022931 [0,0,0,0,0,0|2,0,2]=4 29 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,0,0,0,0,0|2,0,1]=3 30 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,0,0,0,0,0|2,0,1]=3 31 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,0,0,0,0,0|0,0,1]=1 32 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,0,0,0,0,0|0,0,1]=1 33 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,0,0,0,0,0|0,0,3]=3 34 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,0,0,0,0,0|1,0,2]=3 35 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,0,0,0,0,0|1,0,2]=3 36 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,0,0,0,0,0|2,0,1]=3 37 B11R1.91 O=[N+]([O-])/C=C/C1=CC=CN=C1 R437166 [0,0,0,0,0,0|2,0,1]=3 38 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)Br TMT00515 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.21 CC(=O)/C=C/C1=CC=C(C=C1)F CDS016057 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O S350656 [0,1,0,0,0,0|1,0,0]=2 50 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.21 CC1=CC=C(C=C1)/C=C/C(=O)N R640662 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,1,0,0,0,0|1,0,1]=3 56 B12R1.21 CC1=CC=[N+](C=C1)CCC(=O)O OTV000678 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.21 NC(=O)/C=C/C1=CC=C(C=C1)Cl PH010888 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.21 NC1=CC=C(C=C1)/C=C/C(=O)O CDS000175 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.21 NC1=NC=C(C=N1)/C=C/C(=O)O CBR00472 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.27 C/C(=N\O)/C=C/C1=CC=CC=C1 R396273 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,1,0,0,0,0|1,0,2]=4 68 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,1,0,0,0,0|1,0,2]=4 75 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,0|1,0,2]=4 81 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,0|1,0,2]=4 82 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,0|1,0,2]=4 83 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,0|1,0,1]=3 84 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [0,1,0,0,0,0|2,0,1]=4 86 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [0,1,0,0,0,0|1,0,2]=4 87 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [0,1,0,0,0,0|0,0,0]=1 90 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.43 O=C(O)/C(=C/C1=CC=CN=C1)/F CDS021801 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,0|0,0,2]=3 94 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [0,1,0,0,0,0|1,0,2]=4 95 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,0|0,0,3]=4 96 B12R1.43 O=[N+]([O-])/C(=C/C1=CC=CC=C1)/Br PH008680 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [0,1,0,0,0,0|1,0,0]=2 99 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [0,1,0,0,0,0|0,0,0]=1 100 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,1,0,0,0,0|0,0,2]=3 102 B12R1.107 ClC(=C=C(Cl)C1=CC=CC=C1)Cl S894281 [0,1,0,0,0,0|2,0,1]=4 103 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,1,0,0,0,0|1,0,1]=3 110 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.125 NC1=C(C=CC=C1)/C=C/C(=O)O PH011123 [0,1,0,0,0,0|0,0,0]=1 113 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.125 O=C(O)/C=C/C1=C(C=CC=C1)Cl PH010874 [0,1,0,0,0,0|0,0,0]=1 115 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,1,0,0,0,0|0,0,2]=3 116 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,1,0,0,0,0|1,0,1]=3 118 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,1,0,0,0,0|1,0,1]=3 119 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,1,0,0,0,0|1,0,1]=3 122 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,1,0,0,0,0|0,0,2]=3 123 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,1,0,0,0,0|0,0,2]=3 124 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,1,0,0,0,0|1,0,1]=3 125 B12R1.226 O=[N+]([O-])/C=C\C1=CC(=CC=C1)O S914215 [0,1,0,0,0,0|1,0,1]=3 126 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164135 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.891 C(=C/S(=O)(=O)O)\C1=CC=CC=C1 T164143 [0,1,0,0,0,0|1,0,0]=2 128 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [0,1,0,0,0,0|1,0,1]=3 129 B12R1.891 CS(=O)(=O)/C=C/C1=CC=CC=C1 S778249 [0,1,0,0,0,0|1,0,1]=3 130 B12R1.891 O=P(O)(O)/C=C/C1=CC=CC=C1 PH002029 [0,1,0,0,0,0|1,0,0]=2 131 B12R1.891 O=P(O)(O)CCC1=CC=CC=C1 L496227 [0,1,0,0,0,0|1,0,2]=4 132 B10R0.78 C(=C\C(=O)NCC=C)\C(=O)O S393886 [0,0,1,0,0,0|2,0,1]=4 133 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,0,0,1,0,0|3,0,0]=4 134 B12R2.24 CC1=NC2=C(C=C1)C=NC=C2 PH008439 [0,0,0,1,0,0|3,0,0]=4 135 B12R2.24 CC1=NC2=NC=CC=C2C=C1 ADE000831 [0,0,0,1,0,0|3,0,0]=4 136 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,0,0,1,0,0|3,0,0]=4 137 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,0,0,1,0,0|3,0,0]=4 138 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,0,0,1,0,0|3,0,0]=4 139 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,0,0,1,0,0|3,0,0]=4 140 B12R2.24 ClC1=NC2=C(C=CC=C2)C=N1 UPL0037 [0,0,0,1,0,0|3,0,0]=4 141 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,0,0,1,0,0|2,0,0]=3 142 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,0,0,1,0,0|3,0,0]=4 143 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,0,0,1,0,0|3,0,0]=4 144 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,0,0,1,0,0|3,0,0]=4 145 B12R2.24 NC1=CC=C2C=NC=CC2=N1 CDS006673 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.24 NC1=NC=C2C=CC=CC2=N1 CDS008332 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,0|2,0,1]=4 148 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,0,0,1,0,0|2,0,1]=4 149 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.24 OC1=CN=C2C=CC=NC2=C1 ADE000860 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [0,0,0,1,0,0|1,0,1]=3 153 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [0,0,0,1,0,0|1,0,1]=3 154 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,0,0,1,0|2,0,1]=4 155 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,0,0,1,0|2,0,1]=4 156 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,0,0,1,0|2,0,1]=4 157 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,0,0,1,0|2,0,1]=4 158 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,0,0,1,0|2,0,1]=4 159 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [0,0,0,0,1,0|3,0,0]=4 160 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,0,0,1,0|2,0,1]=4 161 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,0,0,1,0|2,0,1]=4 162 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,0,0,1,0|2,0,1]=4 163 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [0,0,0,0,1,0|2,0,0]=3 164 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [0,0,0,0,1,0|2,0,1]=4 165 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [0,0,0,0,1,0|1,0,2]=4 166 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [0,0,0,0,1,0|1,0,2]=4 167 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,0,0,1,0|1,0,2]=4 168 B10R1.66 CC(=O)/C=C/C1=CC=CN1 L162493 [0,0,0,0,1,0|2,0,0]=3 169 B10R1.66 O=C(O)/C=C/C1=NC=CS1 CDS022230 [0,0,0,0,1,0|2,0,0]=3 170 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S814792 [0,0,0,0,1,0|1,0,1]=3 171 B10R1.66 O=C([O-])/C=C/C1=CC=CO1 S826022 [0,0,0,0,1,0|1,0,1]=3 172 B10R1.66 O=C([O-])/C=C\C1=CC=CO1 S826030 [0,0,0,0,1,0|1,0,1]=3 173 B10R1.66 O=[N+]([O-])/C=C\C1=CC=CS1 S928135 [0,0,0,0,1,0|2,0,1]=4 174 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,0,0,0,0,1|2,0,0]=3 175 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,0,0,0,0,1|2,0,1]=4 176 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,0,0,0,0,1|2,0,0]=3 177 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,0,0,0,0,1|1,0,2]=4 178 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,0,0,0,0,1|1,0,2]=4 179 B12R1.252 CC(=O)N/N=C/C1=CC=CC=C1 S872245 [0,0,0,0,0,1|2,0,0]=3 180 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,0,0,0,0,1|1,0,2]=4 181 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,0,0,0,0,1|2,0,1]=4 182 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [0,0,0,0,0,1|1,0,2]=4 183 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,0,0,0,0,1|3,0,0]=4 184 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,0,0,0,0,1|1,0,2]=4 185 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,0,0,0,0,1|1,0,2]=4 186 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,0,0,0,0,1|1,0,2]=4 187 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,0,0,0,0,1|1,0,2]=4 188 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,0,0,0,0,1|0,0,2]=3 189 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,0,0,0,0,1|0,0,2]=3 190 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,0,0,0,0,1|0,0,2]=3 191 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,0,0,0,0,1|1,0,2]=4 192 B9R0.2 C/C=C/C=C/C=C/C(=O)O S439819 [1,0,1,0,0,0|0,0,1]=3 193 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [2,0,0,0,0,0|1,0,0]=3 194 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [2,0,0,0,0,0|1,0,1]=4 196 B11R0.85 O=C(O)/C=C/C(=O)/C=C/C(=O)O S149365 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 CC1=CC=C(C=C1)C=CC#N S434132 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|0,0,2]=4 200 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|0,0,2]=4 201 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.16 N#C/C=C(\Cl)/C1=CC=CC=C1 JRD0649 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.16 N#C/C=C(\N)/C1=CC=CC=C1 PH006853 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.17 N#C/C=C/C1=CC=CC=C1I S849502 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.17 N#CC=CC1=CC=CC=C1Cl S428108 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,1,0,0,0,0|0,0,2]=4 219 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [1,1,0,0,0,0|0,0,2]=4 220 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [1,1,0,0,0,0|2,0,0]=4 221 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [0,1,0,0,1,0|2,0,0]=4 226 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,0,0,1,0|1,0,1]=4 227 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,0,0,1,0|1,0,1]=4 228 B11R1.20 CC(=O)NC1=CC=C(C=C1)F S397075 [0,1,0,0,1,0|2,0,0]=4 229 B11R1.20 CC(=O)NC1=CC=C(C=C1)I S872970 [0,1,0,0,1,0|2,0,0]=4 230 B11R1.20 CC(=O)NC1=CC=C(C=C1)[O-] S829218 [0,1,0,0,1,0|2,0,0]=4 231 B11R1.20 CC(=O)SC1=CC=C(C=C1)C S836516 [0,1,0,0,1,0|2,0,0]=4 232 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [0,1,0,0,1,0|1,0,1]=4 233 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,0,0,1,0|1,0,1]=4 234 B11R1.20 CC1=CC=C(C=C1)NC(=O)N S365149 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.20 CC1=CC=C(C=N1)CC(=O)O CDS019833 [0,1,0,0,1,0|1,0,1]=4 236 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,0,0,1,0|1,0,1]=4 237 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl S441228 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.20 NC(=O)NC1=CC=C(C=C1)F S601527 [0,1,0,0,1,0|2,0,0]=4 239 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [0,1,0,0,1,0|0,1,1]=4 240 B11R1.20 O=C(Br)NC1=CC=C(C=C1)Br S280003 [0,1,0,0,1,0|2,0,0]=4 241 B11R1.20 O=C(Cl)SC1=CC=C(C=C1)Cl S592773 [0,1,0,0,1,0|2,0,0]=4 242 B11R1.20 O=C(O)CC1=CC=C(N=C1)Cl CDS003355 [0,1,0,0,1,0|1,0,1]=4 243 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [0,1,0,0,1,0|2,0,0]=4 244 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,0,0,1,0|1,0,1]=4 245 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [0,1,0,0,1,0|2,0,0]=4 246 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,0,0,1,0|1,0,1]=4 247 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,0,0,1,0|1,0,1]=4 248 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [0,1,0,0,1,0|0,0,1]=3 249 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [0,1,0,0,1,0|0,0,1]=3 250 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [0,1,0,0,1,0|1,0,1]=4 251 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,0,0,1,0|1,0,1]=4 252 B11R1.86 CC(=O)NC1=C(C=CC=C1)C S554383 [0,1,0,0,1,0|2,0,0]=4 253 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [0,1,0,0,1,0|2,0,0]=4 254 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [0,1,0,0,1,0|1,0,1]=4 255 B11R1.86 CC1=CC=CC=C1NC(=O)N S435643 [0,1,0,0,1,0|2,0,0]=4 256 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,0,0,1,0|1,0,1]=4 257 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,0,0,1,0|1,0,1]=4 258 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,0,0,1,0|1,0,1]=4 259 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,0,0,1,0|1,0,1]=4 260 B11R1.86 NC(=O)NC1=C(C=CC=C1)Br PH011364 [0,1,0,0,1,0|2,0,0]=4 261 B11R1.86 NC(=O)NC1=CC=CC=C1Cl PH009853 [0,1,0,0,1,0|2,0,0]=4 262 B11R1.86 NC(=O)NC1=CC=CC=C1F S730572 [0,1,0,0,1,0|2,0,0]=4 263 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [0,1,0,0,1,0|2,0,0]=4 264 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [0,1,0,0,1,0|0,0,1]=3 265 B11R1.86 O=C(O)CN1C=CC=CC1=O CDS010316 [0,1,0,0,1,0|1,0,1]=4 266 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,0,0,1,0|1,0,1]=4 267 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br R647969 [0,1,0,0,1,0|2,0,0]=4 268 B11R1.157 CC(=O)NC1=CC(=CC=C1)I EME00232 [0,1,0,0,1,0|2,0,0]=4 269 B11R1.157 CC(=O)NC1=CC(=CC=C1)N R464198 [0,1,0,0,1,0|2,0,0]=4 270 B11R1.157 CC1=CC(=CC=C1)NC(=O)N S410233 [0,1,0,0,1,0|2,0,0]=4 271 B11R1.157 NC(=O)NC1=CC(=CC=C1)I PH010485 [0,1,0,0,1,0|2,0,0]=4 272 B11R1.157 NC(=O)NC1=CC=CC(=C1)Cl S576476 [0,1,0,0,1,0|2,0,0]=4 273 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [0,1,0,0,1,0|0,0,2]=4 274 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CDS010546 [0,1,0,0,1,0|2,0,0]=4 275 B11R1.25 CCC(=O)/C=C/C1=CC=CN1 L167339 [0,1,0,0,1,0|2,0,0]=4 276 B11R1.25 COC(=O)/C=C/C1=CC=CS1 PH011225 [0,1,0,0,1,0|1,0,0]=3 277 B11R1.25 COC(=O)/C=C/C1=CNC=C1 R179809 [0,1,0,0,1,0|1,0,0]=3 278 B11R1.35 O=C(O)C(=S)CC1=CC=CO1 R787000 [0,1,0,0,1,0|1,0,1]=4 279 B11R1.75 CC1=CC=C(O1)/C=C/C(=O)O S136638 [0,1,0,0,1,0|1,0,0]=3 280 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O T326682 [0,1,0,0,1,0|1,0,0]=3 281 B11R1.90 CN1C=CC=C1/C=C/C(=O)O CDS022227 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.90 CN1N=CC=C1/C=C/C(=O)O CDS022768 [0,1,0,0,1,0|2,0,0]=4 283 B13R1.45 C(=C/C(=O)C1=CC=CC=C1)\C(=O)O R152099 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,1,0,0,0,1|1,0,1]=4 285 B13R1.45 CC(=O)N/N=C(\C)/C1=CC=CC=C1 PH009310 [0,1,0,0,0,1|2,0,0]=4 286 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,1,0,0,0,1|2,0,0]=4 287 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,1,0,0,0,1|1,0,1]=4 288 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 S427314 [0,1,0,0,0,1|0,0,2]=4 289 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,1,0,0,0,1|1,0,1]=4 290 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,1,0,0,0,1|0,0,1]=3 291 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [0,1,0,0,0,1|1,0,1]=4 292 B13R1.149 CC(=O)N/N=C/C1=CC(=CC=C1)F S925101 [0,1,0,0,0,1|2,0,0]=4 293 B13R1.149 O=C(O)CSCC1=CC(=CC=C1)Br EME00137 [0,1,0,0,0,1|0,0,2]=4 294 B13R1.158 CC(=O)N/N=C/C1=C(C=CC=C1)O S779687 [0,1,0,0,0,1|2,0,0]=4 295 B13R1.158 CC1=CC=CC=C1CCCC(=O)O R245283 [0,1,0,0,0,1|0,0,2]=4 296 B13R1.158 CC1=CC=CC=C1SCCC(=O)O S849561 [0,1,0,0,0,1|0,0,2]=4 297 B13R1.158 NC(=O)N/N=C/C1=C(C=CC=C1)O R531561 [0,1,0,0,0,1|2,0,0]=4 298 B13R1.158 NC(=O)N/N=C/C1=CC=CC=C1Cl PH002203 [0,1,0,0,0,1|2,0,0]=4 299 B13R1.158 NC1=CC=CC=C1CCCC(=O)O PH003105 [0,1,0,0,0,1|0,0,2]=4 300 B13R1.158 O=C(O)CCNC1=C(C=CC=C1)Cl PH011647 [0,1,0,0,0,1|0,0,2]=4 301 B13R1.348 CC(=CC(=O)NC1=CC=CC=C1)C PH007530 [0,1,0,0,0,1|2,0,0]=4 302 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PH011402 [0,1,0,0,0,1|1,0,0]=3 303 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,1,0,0,0,1|1,0,0]=3 304 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,1,0,0,0,1|2,0,0]=4 305 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,1,0,0,0,1|2,0,0]=4 306 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,1,0,0,0,1|1,0,1]=4 307 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,1,0,0,0,1|2,0,0]=4 308 B13R1.348 NC(=O)NC(=S)NC1=CC=CC=C1 S862681 [0,1,0,0,0,1|2,0,0]=4 309 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)N R260665 [0,1,0,0,0,1|2,0,0]=4 310 B13R1.351 C/C(=N\NC1=CC=CC=C1)/C(=O)O R260630 [0,1,0,0,0,1|1,0,0]=3 311 B13R1.351 CC(=O)/C(=N/NC1=CC=CC=C1)/C S17265 [0,1,0,0,0,1|2,0,0]=4 312 B13R1.351 CC(=O)/C(=N\NC1=CC=CC=C1)/Cl S282227 [0,1,0,0,0,1|2,0,0]=4 313 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,1,0,0,0,1|1,0,1]=4 314 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,1|0,0,2]=4 315 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,1|0,0,2]=4 316 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,1,0,0,0,1|0,0,1]=3 317 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)C R709700 [0,1,0,0,0,1|2,0,0]=4 318 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)Cl R709999 [0,1,0,0,0,1|2,0,0]=4 319 B13R1.513 CC(=O)N/N=C/C1=CC=C(C=C1)O R749648 [0,1,0,0,0,1|2,0,0]=4 320 B13R1.513 CC1=CC=C(C=C1)/C=N/NC(=O)N R697982 [0,1,0,0,0,1|2,0,0]=4 321 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O S532649 [0,1,0,0,0,1|0,0,2]=4 322 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)O EME00118 [0,1,0,0,0,1|0,0,2]=4 323 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)Cl R697532 [0,1,0,0,0,1|2,0,0]=4 324 B13R1.513 NC(=O)N/N=C/C1=CC=C(C=C1)O R699055 [0,1,0,0,0,1|2,0,0]=4 325 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br JRD0697 [0,1,0,0,0,1|0,0,2]=4 326 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl PH005128 [0,1,0,0,0,1|0,0,2]=4 327 B13R1.513 O=C(O)CCSC1=CC=C(C=C1)Cl PH009791 [0,1,0,0,0,1|0,0,2]=4 328 B13R1.513 O=C(O)CC[Te]C1=CC=C(C=C1)Br S50319 [0,1,0,0,0,1|0,0,2]=4 329 B13R1.718 COC(=O)CCCC1=CC=CC=C1 PH010421 [0,1,0,0,0,1|0,0,2]=4 330 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,1,0,0,0,1|0,0,2]=4 331 B13R1.718 COC(=O)CCSC1=CC=CC=C1 S614378 [0,1,0,0,0,1|0,0,2]=4 332 B13R1.718 COC(=O)CSCC1=CC=CC=C1 S614149 [0,1,0,0,0,1|0,0,2]=4 333 B13R1.718 COC(=O)NNCC1=CC=CC=C1 PH007736 [0,1,0,0,0,1|1,0,1]=4 334 B13R1.3 COC1=CC=C(C=C1)/C=C/C(=O)O T135062 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.14 CCC(=O)C=CC1=CC=C(C=C1)C S450049 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.14 CNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007011 [0,2,0,0,0,0|1,0,0]=3 338 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Br S931675 [0,2,0,0,0,0|0,0,0]=2 339 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)Cl S880671 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.14 COC(=O)/C=C/C1=CC=C(C=C1)O KOB0128 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,2,0,0,0,0|1,0,1]=4 342 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,2,0,0,0,0|1,0,1]=4 343 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,2,0,0,0,0|1,0,1]=4 344 B13R1.14 COC(=O)CSC1=CC=C(C=C1)Cl S620173 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.132 CC(=CC(=O)C1=CC=C(C=C1)C)C S313874 [0,2,0,0,0,0|2,0,0]=4 347 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,2,0,0,0,0|1,0,1]=4 348 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,2,0,0,0,0|2,0,0]=4 349 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Br T135860 [0,2,0,0,0,0|0,0,2]=4 350 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)Cl PH015633 [0,2,0,0,0,0|0,0,2]=4 351 B13R1.132 CC(CC(=O)O)C1=CC=C(C=C1)O T135879 [0,2,0,0,0,0|0,0,2]=4 352 B13R1.132 CC1=CC=C(C=C1)/C(=C/C(=O)O)/C L128317 [0,2,0,0,0,0|0,0,0]=2 353 B13R1.132 CC1=CC=C(C=C1)C(C)CC(=O)O S326283 [0,2,0,0,0,0|0,0,2]=4 354 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)Br BBO000769 [0,2,0,0,0,0|0,0,2]=4 356 B13R1.133 C/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-] S536563 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.133 C/C(=C\C1=CC=C(C=C1)Br)/[N+](=O)[O-] PH011092 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.133 C/C(=C\C1=CC=C(C=C1)Cl)/C(=O)O S808687 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.133 C/C(=C\C1=CC=C(C=C1)F)/[N+](=O)[O-] S447099 [0,2,0,0,0,0|1,0,1]=4 360 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,2,0,0,0,0|0,0,2]=4 361 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,2,0,0,0,0|1,0,1]=4 362 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,2,0,0,0,0|1,0,1]=4 363 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,2,0,0,0,0|1,0,1]=4 364 B13R1.133 CC1=CC=C(C=C1)/C=C(/C)\C(=O)O S280100 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.133 CC1=CC=C(C=C1)/C=C(\C)/[N+](=O)[O-] S620793 [0,2,0,0,0,0|1,0,1]=4 366 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,2,0,0,0,0|0,0,2]=4 367 B13R1.133 CC1=CC=C(C=C1)CC(N)C(=O)O PH011203 [0,2,0,0,0,0|0,0,2]=4 368 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,2,0,0,0,0|0,0,2]=4 369 B13R1.133 NC1=CC=C(C=C1)NC(=O)C(=O)O PH010859 [0,2,0,0,0,0|1,0,0]=3 370 B13R1.133 O=C(O)C(=O)NC1=NC=C(C=C1)Cl PHB00182 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.164 CC(=O)/C=C/C1=C(C=C(C=C1)Cl)Cl R613541 [0,2,0,0,0,0|1,0,0]=3 372 B13R1.164 CC1=CC(=C(C=C1)NCC(=O)O)C L172472 [0,2,0,0,0,0|1,0,1]=4 373 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)N S398012 [0,2,0,0,0,0|0,0,0]=2 374 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,2,0,0,0,0|1,0,1]=4 375 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/C(=O)O KOB0165 [0,2,0,0,0,0|0,0,0]=2 376 B13R1.164 CC1=CC=C(C(=C1)C)/C=C/[N+](=O)[O-] R594113 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.164 CC1=CC=C(C(=C1)C)CCC(=O)O R245275 [0,2,0,0,0,0|0,0,2]=4 378 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.164 NC(=O)/C=C/C1=CC=C(C=C1Cl)Cl PH010730 [0,2,0,0,0,0|1,0,0]=3 380 B13R1.164 O=C(O)/C=C/C1=C(C=C(C=C1)F)Cl R436704 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.164 O=C(O)CCC1=CC=C(C=C1Cl)F RNI00047 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.164 O=C(O)CNC1=CC=C(C=C1Cl)Br R822086 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.511 CC(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl PH003269 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.511 CC1=C(C=C(C=C1)CCC(=O)O)Br T303011 [0,2,0,0,0,0|0,0,2]=4 385 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,2,0,0,0,0|1,0,1]=4 386 B13R1.511 O=C(O)/C=C/C1=CC(=C(C=C1)F)Br R436674 [0,2,0,0,0,0|0,0,0]=2 387 B13R1.511 O=C(O)CSC1=CC=C(C(=C1)Cl)Cl R538639 [0,2,0,0,0,0|1,0,1]=4 388 B13R1.11 CNC(=O)/C=C(\C)/C1=CC=CC=C1 PH006947 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.11 COC(=O)/C=C(/C)\C1=CC=CC=C1 S882089 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 OTV000182 [0,2,0,0,0,0|0,0,1]=3 391 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CDS021823 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.15 COC(=O)/C=C/C1=CC(=CC=C1)C EME00166 [0,2,0,0,0,0|0,0,0]=2 393 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 CDS003195 [0,2,0,0,0,0|1,0,1]=4 394 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 PH005137 [0,2,0,0,0,0|1,0,1]=4 395 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [0,2,0,0,0,0|1,0,1]=4 396 B13R1.42 CCOC(=O)NNC1=CC=CC=C1 S512680 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.42 O=C(/C=C/C1=CC=CC=C1)/C=N/O PH007040 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.42 O=C(CCO)NNC1=CC=CC=C1 PH007197 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,2,0,0,0,0|1,0,1]=4 400 B13R1.135 COC(=O)C(C)SC1=CC=CC=C1 S620203 [0,2,0,0,0,0|1,0,1]=4 401 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 PH011323 [0,2,0,0,0,0|0,0,2]=4 402 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 PH000793 [0,2,0,0,0,0|0,0,2]=4 403 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 PH009923 [0,2,0,0,0,0|0,0,2]=4 404 B13R1.528 CCC(=O)/C=C/C1=CC=CC=C1O L255661 [0,2,0,0,0,0|1,0,0]=3 405 B13R1.528 COC(=O)/C=C/C1=C(C=CC=C1)O PH004658 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.528 COC(=O)/C=C/C1=CC=CN=C1N ADE000758 [0,2,0,0,0,0|1,0,0]=3 407 B13R1.528 COC(=O)/C=C/C1=CN=CC=C1Cl ADE000815 [0,2,0,0,0,0|1,0,0]=3 408 B13R1.528 COC(=O)CCC1=C(C=CC=C1)O CDS015224 [0,2,0,0,0,0|0,0,2]=4 409 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,2,0,0,0,0|1,0,1]=4 410 B13R1.148 C/C(=C/C1=CC=CC(=C1)N)/C(=O)O PH008849 [0,2,0,0,0,0|0,0,0]=2 411 B13R1.148 C/C(=C\C1=CC(=CC=C1)Br)/C(=O)O L129372 [0,2,0,0,0,0|0,0,0]=2 412 B13R1.148 C/C(=C\C1=CC(=CC=C1)Cl)/C(=O)O R151122 [0,2,0,0,0,0|0,0,0]=2 413 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,2,0,0,0,0|1,0,1]=4 414 B13R1.148 CC1=CC(=CC=C1)/C=C(\C)/C(=O)O R151041 [0,2,0,0,0,0|0,0,0]=2 415 B13R1.148 CC1=CC=CC(=C1)/C=C(\C)/[N+](=O)[O-] PH014783 [0,2,0,0,0,0|1,0,1]=4 416 B13R1.148 O=C(O)/C(=C/C1=CC(=CC=C1)O)/S PH000774 [0,2,0,0,0,0|0,0,0]=2 417 B13R1.148 O=C(O)/C(=C/C1=CC=CC(=C1)Cl)/S S762601 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.148 O=C(O)C(=S)CC1=CC(=CC=C1)O R627119 [0,2,0,0,0,0|0,0,1]=3 419 B13R1.148 O=C(O)C(Br)CC1=CC(=CC=C1)Cl L129844 [0,2,0,0,0,0|0,0,2]=4 420 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,2,0,0,0,0|0,0,2]=4 421 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,2,0,0,0,0|0,0,2]=4 422 B13R1.152 NC(C(=O)O)C(O)C1=CC=CC=C1 S914851 [0,2,0,0,0,0|0,0,2]=4 423 B13R1.152 O=C(O)/C(=C(/Br)\C1=CC=CC=C1)/Br S731374 [0,2,0,0,0,0|0,0,0]=2 424 B13R1.152 O=C(O)C(Br)C(Br)C1=CC=CC=C1 S764841 [0,2,0,0,0,0|0,0,2]=4 425 B13R1.152 O=C(O)C(Cl)C(Cl)C1=CC=CC=C1 PH009327 [0,2,0,0,0,0|0,0,2]=4 426 B13R1.202 C/C(=C\C1=C(C=CC=C1)Cl)/C(=O)O S808695 [0,2,0,0,0,0|0,0,0]=2 427 B13R1.202 C/C(=C\C1=CC=CC=C1F)/[N+](=O)[O-] PH014782 [0,2,0,0,0,0|1,0,1]=4 428 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,2,0,0,0,0|1,0,1]=4 429 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,2,0,0,0,0|1,0,1]=4 430 B13R1.202 CC1=C(C=CC=C1)/C=C(\C)/[N+](=O)[O-] PH014796 [0,2,0,0,0,0|1,0,1]=4 431 B13R1.202 CC1=C(C=CC=C1)CC(N)C(=O)O R410985 [0,2,0,0,0,0|0,0,2]=4 432 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.202 NC(CC1=CC=CC=C1Cl)C(=O)O R262129 [0,2,0,0,0,0|0,0,2]=4 434 B13R1.353 C=C(CC1=CC=CC=C1)S(=O)(=O)O T164003 [0,2,0,0,0,0|1,0,1]=4 435 B13R1.353 O=S(=O)(O)/C(=C/C1=CC=CC=C1)/Cl T164119 [0,2,0,0,0,0|1,0,0]=3 436 B13R1.418 CC/C(=C\C1=CC=CC=C1)/C(=O)O S808326 [0,2,0,0,0,0|0,0,0]=2 437 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,2,0,0,0,0|1,0,1]=4 438 B13R1.418 N#C/C(=C/C1=CC=CC=C1)/C(=O)N S929662 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.418 N#C/C(=C\C1=CC=CN=C1)/C(=O)O R437735 [0,2,0,0,0,0|1,0,0]=3 440 B13R1.418 O=C(O)/C(=C/C1=CC=CC=C1)/CBr S808709 [0,2,0,0,0,0|0,0,0]=2 441 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,2,0,0,0,0|1,0,1]=4 442 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,2,0,0,0,0|1,0,1]=4 443 B13R1.147 NC(=O)NC(=O)C1=CC=CC(=C1)Br PH009582 [0,2,0,0,0,0|2,0,0]=4 444 B13R1.147 NC(CC(=O)O)C1=CC=CC(=C1)Cl PH006840 [0,2,0,0,0,0|0,0,2]=4 445 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,2,0,0,0,0|1,0,1]=4 446 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1I T135852 [0,2,0,0,0,0|0,0,2]=4 447 B13R1.201 CC1=CC=CC=C1/C(=C/C(=O)O)/C R244880 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.352 O=C(CS(=O)(=O)O)C1=CC=CC=C1 T164151 [0,2,0,0,0,0|1,0,1]=4 449 B13R1.352 O=P(O)(O)/C=C(\Cl)/C1=CC=CC=C1 S996831 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.713 CNC(CC(=O)O)C1=CC=CC=C1 PH015123 [0,2,0,0,0,0|0,0,2]=4 451 B13R1.90 CCC1=C(C=CC=C1)NCC(=O)O R761990 [0,2,0,0,0,0|1,0,1]=4 452 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [0,2,0,0,0,0|1,0,1]=4 453 B13R1.90 COC1=CC=CC=C1NCC(=O)O T109304 [0,2,0,0,0,0|1,0,1]=4 454 B13R1.90 C[Se]C1=CC=CC=C1/C=C/C(=O)O S893102 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.90 N#CC1=CC=CC=C1CCC(=O)O T314889 [0,2,0,0,0,0|0,0,2]=4 456 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O CDS011537 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,2,0,0,0,0|1,0,1]=4 458 B13R1.150 CC1=C(C=CC=C1NCC(=O)O)Cl T110809 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.150 CC1=CC=CC(=C1C)NCC(=O)O L172502 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.150 O=C(O)/C=C/C1=C(C(=CC=C1)Cl)Cl R946540 [0,2,0,0,0,0|0,0,0]=2 461 B13R1.150 O=[N+]([O-])/C=C/C1=C(C(=CC=C1)Cl)Cl R594539 [0,2,0,0,0,0|1,0,1]=4 462 B13R1.157 NC1=C(C=CC=C1)/C=C/S(=O)(=O)N PH007921 [0,2,0,0,0,0|1,0,1]=4 463 B13R1.893 CC1=CC(=C(C=C1)C)/C=C/C(=O)O PH011355 [0,2,0,0,0,0|0,0,0]=2 464 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,2,0,0,0,0|1,0,1]=4 465 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,2,0,0,0,0|1,0,1]=4 466 B13R1.893 O=C(O)/C=C/C1=C(C=CC(=C1)I)F L134279 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.893 O=C(O)CCC1=CC(=CC=C1Cl)Cl JRD0472 [0,2,0,0,0,0|0,0,2]=4 468 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,2,0,0,0,0|1,0,1]=4 469 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,2,0,0,0,0|1,0,1]=4 470 B13R1.893 O=C(O)CSC1=C(C=CC(=C1)Cl)Cl PH011457 [0,2,0,0,0,0|1,0,1]=4 471 B13R1.3787 C(=C/C1=C(C=CC=C1F)Cl)\C(=O)O R435929 [0,2,0,0,0,0|0,0,0]=2 472 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,2,0,0,0,0|1,0,1]=4 473 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R157198 [0,2,0,0,0,0|0,0,0]=2 474 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl R435627 [0,2,0,0,0,0|0,0,0]=2 475 B13R1.3787 O=C(O)/C=C/C1=C(C=CC=C1Cl)Cl S463531 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.3787 O=C(O)CSC1=C(C=CC=C1Cl)Cl PH010790 [0,2,0,0,0,0|1,0,1]=4 477 B13R1.643 CSC1=CC(=CC=C1)/C=C/C(=O)O T285293 [0,2,0,0,0,0|0,0,0]=2 478 B13R1.3420 CC1=CC(=CC(=C1)CCC(=O)O)C CBR00487 [0,2,0,0,0,0|0,0,2]=4 479 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C S408174 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,0,1,1,0,0|1,0,1]=4 481 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,0,1,1,0,0|0,0,0]=2 482 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,0,1,1,0,0|1,0,1]=4 483 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,0,1,1,0,0|1,0,1]=4 484 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,0,1,1,0,0|1,0,1]=4 485 B11R1.266 NNC1=CC(=CC=C1)C(=O)O CDS001221 [0,0,1,1,0,0|2,0,0]=4 486 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr OTV000175 [0,0,1,1,0,0|1,0,1]=4 487 B11R1.266 O=C(O)C1=CC=CC(=C1)[Hg]Cl S881821 [0,0,1,1,0,0|2,0,0]=4 488 B11R1.266 O=CC1=NC(=CC=C1)C(=O)O CDS023380 [0,0,1,1,0,0|2,0,0]=4 489 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)I CDS002953 [0,0,1,1,0,0|1,0,1]=4 490 B11R1.167 NC1=C(C=C(C=C1)Br)C(=O)O T276405 [0,0,1,1,0,0|2,0,0]=4 491 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)Cl S437875 [0,0,1,1,0,0|2,0,0]=4 492 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)F CDS003065 [0,0,1,1,0,0|2,0,0]=4 493 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)I PH006123 [0,0,1,1,0,0|2,0,0]=4 494 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [1,0,0,1,0,0|2,0,0]=4 495 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [1,0,0,1,0,0|1,0,1]=4 496 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [1,0,0,1,0,0|2,0,0]=4 497 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [1,0,0,1,0,0|1,1,0]=4 498 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [1,0,0,1,0,0|2,0,0]=4 499 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [1,0,0,1,0,0|1,0,0]=3 500 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [1,0,0,1,0,0|2,0,0]=4 501 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [1,0,0,1,0,0|2,0,0]=4 502 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [1,0,0,1,0,0|2,0,0]=4 503 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [1,0,0,1,0,0|1,0,1]=4 504 B11R2.10 O=C1NC2=NC=CC=C2O1 CDS005683 [0,0,0,1,1,0|2,0,0]=4 505 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000231 [0,0,0,1,1,0|1,1,0]=4 506 B11R2.10 S=C1NC2=C(O1)C=CC=C2 PH000865 [0,0,0,1,1,0|1,1,0]=4 507 B11R2.10 S=C1OC2=C(O1)C=CC=C2 L162752 [0,0,0,1,1,0|1,1,0]=4 508 B13R2.10 CC1=NC(=CN1)C2=CC=CC=C2 CBR02038 [0,0,0,1,0,1|2,0,0]=4 509 B13R2.10 CC1=NC=C(O1)C2=CC=CC=C2 PH010637 [0,0,0,1,0,1|1,0,0]=3 510 B13R2.10 N1N=C(CC1=O)C2=CC=CC=C2 S944661 [0,0,0,1,0,1|2,0,0]=4 511 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 L133558 [0,0,0,1,0,1|2,0,0]=4 512 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 OTV000831 [0,0,0,1,0,1|2,0,0]=4 513 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 L316873 [0,0,0,1,0,1|2,0,0]=4 514 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 R100978 [0,0,0,1,0,1|2,0,0]=4 515 B13R2.10 O=C1C=C(SS1)C2=CC=CC=C2 S409766 [0,0,0,1,0,1|2,0,0]=4 516 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,0,0,1,0,1|1,0,0]=3 517 B13R2.10 O=C1C=CN(N1)C2=CC=CC=C2 T310557 [0,0,0,1,0,1|1,0,0]=3 518 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S301604 [0,0,0,1,0,1|0,0,1]=3 519 B13R2.10 O=C1CN=C(O1)C2=CC=CC=C2 S554243 [0,0,0,1,0,1|0,0,1]=3 520 B13R2.10 O=C1NN=C(O1)C2=CC=CC=C2 S392367 [0,0,0,1,0,1|1,0,0]=3 521 B13R2.10 OC1=CC(=NO1)C2=CC=CC=C2 CDS014441 [0,0,0,1,0,1|2,0,0]=4 522 B13R2.10 OC1=NN=C(O1)C2=CC=CC=C2 JRD0391 [0,0,0,1,0,1|1,0,1]=4 523 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 PH018168 [0,0,0,1,0,1|2,0,0]=4 524 B13R2.72 CC(=O)C1=NNC2=CC=CC=C12 CDS005905 [0,0,0,1,0,1|2,0,0]=4 525 B13R2.72 NC(=S)C1=CNC2=C1C=CC=C2 BOG00002 [0,0,0,1,0,1|1,1,0]=4 526 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 CDS016073 [0,0,0,1,0,1|1,0,0]=3 527 B13R2.72 O=C(O)C1=CCC2=C1C=CC=C2 MNO000013 [0,0,0,1,0,1|0,0,0]=2 528 B13R2.72 O=C(O)C1=CN=C2N1C=CC=N2 CDS012222 [0,0,0,1,0,1|2,0,0]=4 529 B13R2.72 O=C(O)C1=CSC2=C1C=CC=C2 PH006834 [0,0,0,1,0,1|0,0,0]=2 530 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [0,0,0,1,0,1|1,0,0]=3 531 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [0,0,0,1,0,1|1,0,0]=3 532 B13R2.72 O=C(O)C1CCC2=CC=CC=C12 CDS014135 [0,0,0,1,0,1|0,0,2]=4 533 B13R2.72 O=C(O)C1NCC2=CC=CC=C12 CDS008978 [0,0,0,1,0,1|0,0,2]=4 534 B13R2.72 OB(O)C1=COC2=C1C=CC=C2 CDS022390 [0,0,0,1,0,1|1,0,1]=4 535 B13R2.155 CC1=NC2=CC(=CC=C2C=C1)Br BBO000574 [0,1,0,1,0,0|2,0,0]=4 536 B13R2.155 ClC1=NC2=CC(=CC=C2C=C1)Br BBO000071 [0,1,0,1,0,0|2,0,0]=4 537 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,1,0,1,0,0|0,0,0]=2 538 B13R2.155 O=C1C=CC2=C(O1)N=C(C=C2)O PH009034 [0,1,0,1,0,0|1,0,0]=3 539 B13R2.155 O=C1CCC2=C(O1)C=C(C=C2)Br IDF00036 [0,1,0,1,0,0|0,0,2]=4 540 B13R2.155 OC1=CC2=CC(=CC=C2N=C1)Br BBO000554 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.155 OC1=NC2=NC(=CC=C2C=C1)F ADE000840 [0,1,0,1,0,0|2,0,0]=4 542 B13R2.32 CC1=C(C2=C(C=CC=C2)C=C1)N S779156 [0,1,0,1,0,0|2,0,0]=4 543 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S11313 [0,1,0,1,0,0|2,0,0]=4 544 B13R2.32 CC1=[N+](C2=C(C=CC=C2)C=C1)C S832863 [0,1,0,1,0,0|2,0,0]=4 545 B13R2.32 CN1C(=S)C=CC2=C1C=CC=C2 S628654 [0,1,0,1,0,0|1,1,0]=4 546 B13R2.32 NC1=C(C2=C(C=CC=C2)C=C1)Cl S287989 [0,1,0,1,0,0|2,0,0]=4 547 B13R2.32 NC1=C(C2=CC=CC=C2C=C1)O CDS000188 [0,1,0,1,0,0|1,0,0]=3 548 B13R2.32 O=C1C=CC2=C(N1O)C=CC=C2 PH008969 [0,1,0,1,0,0|0,0,0]=2 549 B13R2.32 OC1=C(C=NC2=C1C=CC=C2)I SYX00005 [0,1,0,1,0,0|2,0,0]=4 550 B13R2.32 OC1=C(C=NC2=CC=CC=C12)Br BBO000325 [0,1,0,1,0,0|2,0,0]=4 551 B13R2.33 O=C1C=CC2=C(C=CC=C2)CC1 T199605 [0,1,0,1,0,0|1,0,0]=3 552 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 T176389 [0,1,0,1,0,0|1,0,0]=3 553 B13R2.57 C#CC1=CC=C2C=CC=CC2=C1 CDS008002 [0,1,0,1,0,0|2,0,0]=4 554 B13R2.57 C(=O)C1=CC=C2C=CC=NC2=C1 CDS007586 [0,1,0,1,0,0|2,0,0]=4 555 B13R2.57 COC1=CC=C2C=CC=CC2=N1 T170909 [0,1,0,1,0,0|1,0,0]=3 556 B13R2.57 COC1=CC=C2C=NC=CC2=C1 T170895 [0,1,0,1,0,0|2,0,0]=4 557 B13R2.57 ClCC1=CC=C2C=CC=CC2=N1 TMT00192 [0,1,0,1,0,0|2,0,0]=4 558 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS018131 [0,1,0,1,0,0|2,0,0]=4 559 B13R2.57 NCC1=CC=C2C=CC=CC2=N1 CDS021870 [0,1,0,1,0,0|2,0,0]=4 560 B13R2.57 O=CC1=CC2=C(C=C1)N=CC=C2 CDS013832 [0,1,0,1,0,0|2,0,0]=4 561 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 CDS008037 [0,1,0,1,0,0|2,0,0]=4 562 B13R2.57 O=CC1=CN=C2C=CC=CC2=N1 CDS015095 [0,1,0,1,0,0|2,0,0]=4 563 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CDS014253 [0,1,0,1,0,0|1,0,0]=3 564 B13R2.373 O=C1C=C(C1=O)C2=CC=CC=C2 L160377 [0,1,0,1,0,0|0,0,1]=3 565 B13R2.369 CC1=C(C=C2C=CC=CC2=C1)C S295175 [0,1,0,1,0,0|2,0,0]=4 566 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,1,0,1,0,0|0,0,0]=2 567 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|0,0,2]=4 568 B13R2.369 N=C1NC2=CC=CC=C2OC1=O T319554 [0,1,0,1,0,0|1,0,0]=3 569 B13R2.369 O=C1OC2=C(C=CC=C2)N=C1Cl PH009408 [0,1,0,1,0,0|1,0,0]=3 570 B13R2.369 O=C1SC2=C(C=CC=C2)C=C1Cl S849499 [0,1,0,1,0,0|0,1,0]=3 571 B13R2.435 CC(=O)C1=CN2C=CC=CC2=C1 PH014750 [0,1,0,1,0,0|2,0,0]=4 572 B13R2.435 CC(=O)C1=NC2=C(S1)C=CC=C2 CDS003776 [0,1,0,1,0,0|2,0,0]=4 573 B13R2.435 NC(=O)C1=CC2=C(O1)C=CC=C2 S815276 [0,1,0,1,0,0|1,0,0]=3 574 B13R2.435 NC(=O)C1=NC2=C(S1)C=CC=C2 PH011186 [0,1,0,1,0,0|2,0,0]=4 575 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CDS009698 [0,1,0,1,0,0|1,0,0]=3 576 B13R2.435 O=C(O)C1=CC2=NC=CN=C2S1 CDS017542 [0,1,0,1,0,0|2,0,0]=4 577 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CDS009157 [0,1,0,1,0,0|1,0,0]=3 578 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 CBR00103 [0,1,0,1,0,0|2,0,0]=4 579 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CDS020355 [0,1,0,1,0,0|1,0,0]=3 580 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CDS019852 [0,1,0,1,0,0|2,0,0]=4 581 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,1,0,1,0,0|1,0,1]=4 582 B13R2.328 CC1=CC(=NC2=CC=CC=C12)N BBO000578 [0,1,0,1,0,0|2,0,0]=4 583 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,1,0,1,0,0|0,0,0]=2 584 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,1,0,1,0,0|0,0,0]=2 585 B13R2.328 NC1=NC2=C(C=CC=C2)C(=C1)O R240303 [0,1,0,1,0,0|2,0,0]=4 586 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CDS019926 [0,1,0,1,0,0|1,0,0]=3 587 B13R2.328 O=C1C=C([N+]2=C(N1)C=CC=C2)[O-] R973165 [0,1,0,1,0,0|2,0,0]=4 588 B13R2.328 OC1=CC2=C(C=CC=C2)C(=N1)O S943460 [0,1,0,1,0,0|2,0,0]=4 589 B13R2.12159 O=S1(=O)C=C(C2=CC=CC=C12)Cl T327751 [0,1,0,1,0,0|1,0,1]=4 590 B13R2.5179 ClC1=NC2=CC=CC(=C2C=C1)Br BBO000549 [0,1,0,1,0,0|2,0,0]=4 591 B13R2.5179 NC1=C2C=CC(=CC2=CC=C1)O CDS000157 [0,1,0,1,0,0|1,0,0]=3 592 B13R2.5179 NC1=CC2=C(C=C1)C(=CC=C2)O CDS000002 [0,1,0,1,0,0|2,0,0]=4 593 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)N CDS000034 [0,1,0,1,0,0|2,0,0]=4 594 B13R2.162 CC1=CC=CC2=C1N=C(C=C2)C R158348 [0,1,0,1,0,0|2,0,0]=4 595 B13R2.162 ClC1=NC2=C(C=CC=C2C=C1)Br KOB0136 [0,1,0,1,0,0|2,0,0]=4 596 B13R2.162 O=C1C=CC2=C(N1)C(=CN=C2)Br VBP00003 [0,1,0,1,0,0|2,0,0]=4 597 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)Br KOB0160 [0,1,0,1,0,0|1,0,0]=3 598 B13R2.3683 CC1=CC2=C(C=C1)C=C(C=C2)F PH010449 [0,1,0,1,0,0|2,0,0]=4 599 B13R2.3683 CC1=CC2=C(C=C1)NC(=CO2)O PH001606 [0,1,0,1,0,0|2,0,0]=4 600 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)I PH005825 [0,1,0,1,0,0|2,0,0]=4 601 B13R2.3683 CC1=CC=C2OC(=O)CCC2=C1 IDF00001 [0,1,0,1,0,0|0,0,2]=4 602 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)N R396583 [0,1,0,1,0,0|2,0,0]=4 603 B13R2.3683 ClC1=CC=C2C=C(C=CC2=C1)Cl R415464 [0,1,0,1,0,0|2,0,0]=4 604 B13R2.3683 NC1=CC2=CC=C(C=C2C=C1)O PH007390 [0,1,0,1,0,0|1,0,0]=3 605 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,1,0,1,0,0|0,0,0]=2 606 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,1,0,1,0,0|0,0,0]=2 607 B13R2.3683 NC1=NC2=C(C=C1)C=C(C=C2)Br BBO000551 [0,1,0,1,0,0|2,0,0]=4 608 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,1,0,1,0,0|0,0,0]=2 609 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)Br CDS006965 [0,1,0,1,0,0|1,0,0]=3 610 B13R2.3683 O=C1C=CC2=CC(=CC=C2N1)O CDS004847 [0,1,0,1,0,0|1,0,0]=3 611 B13R2.3683 O=C1CCC2=CC(=CC=C2O1)Br PH010437 [0,1,0,1,0,0|0,0,2]=4 612 B13R2.3683 OC1=NC2=CC=C(C=C2C=C1)Br BBO000085 [0,1,0,1,0,0|1,0,0]=3 613 B13R2.3683 OC1=NC2=NC=C(C=C2C=C1)Br ADE000844 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.12 C(=O)/C=C/C1=CC=CN1 L166448 [1,0,0,0,1,0|1,0,0]=3 615 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [0,0,0,0,2,0|2,0,0]=4 616 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [0,0,0,0,2,0|2,0,0]=4 617 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [0,0,0,0,2,0|1,0,0]=3 618 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [0,0,0,0,2,0|1,0,0]=3 619 B9R1.6 O=C(O)C1=CN=CN=C1 CDS003995 [0,0,0,0,2,0|2,0,0]=4 620 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [0,0,0,0,2,0|0,0,2]=4 621 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [0,0,0,0,2,0|0,0,1]=3 622 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [0,0,0,0,2,0|1,0,0]=3 623 B9R1.13 O=C(O)CC1=CNC=C1 CDS023068 [0,0,0,0,2,0|1,0,1]=4 624 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 PH010076 [0,0,0,0,0,2|0,0,2]=4 625 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,0,0,0,0,2|0,0,2]=4 626 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 S541575 [0,0,0,0,0,2|0,0,2]=4 627 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 S541567 [0,0,0,0,0,2|0,0,2]=4