0 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,0,0,0,0,0|2,0,1]=3 10 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,0,0,0,0,0|3,0,1]=4 15 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,0|3,0,1]=4 18 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,0|3,0,1]=4 19 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,0,0,0,0,0|3,0,0]=3 21 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [1,0,0,0,0,0|2,0,0]=3 29 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.17 CNCCC1=NC=CC=C1 R750492 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.17 COCCC1=CC=NC=C1 PH007374 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [1,0,0,0,0,0|1,1,0]=3 42 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,0,0,0,0,0|0,0,2]=3 44 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,0,0,0,0,0|1,0,0]=2 50 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,0,0,0,0,0|2,0,1]=4 55 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,0,0,0,0,0|3,0,0]=4 58 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,1,0,0,0,0|2,0,0]=3 64 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,1,0,0,0,0|1,0,1]=3 65 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,1,0,0,0,0|2,0,0]=3 68 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.34 CC(C#N)C(=O)C1=CC=CC=C1 S452645 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.34 CC(CCl)C(=O)C1=CC=CC=C1 S919217 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,1,0,0,0,0|2,0,1]=4 73 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,1,0,0,0,0|2,0,0]=3 74 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.34 N#CC(Br)C(Br)C1=CC=CC=C1 S886327 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,0,0|2,0,1]=4 89 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,1,0,0,0,0|3,0,0]=4 90 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,1,0,0,0,0|2,0,0]=3 92 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,1,0,0,0,0|3,0,0]=4 94 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S347302 [0,1,0,0,0,0|2,0,1]=4 98 B12R1.43 CN(CC1=CC=CC=C1)C(=N)N PH015234 [0,1,0,0,0,0|3,0,0]=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 CN(CC1=CC=CC=C1)C(=S)N CBR01175 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,0|2,0,1]=4 111 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,0|2,0,1]=4 113 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Br PH010047 [0,1,0,0,0,0|2,0,1]=4 114 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [0,1,0,0,0,0|2,0,1]=4 115 B12R1.49 CNC(=S)NC1=CC=C(C=C1)Cl PH009766 [0,1,0,0,0,0|2,0,1]=4 116 B12R1.49 CNC(=S)NC1=CC=C(C=C1)F TMT00071 [0,1,0,0,0,0|2,0,1]=4 117 B12R1.49 CNC(=S)NC1=CC=C(C=C1)I TMT00123 [0,1,0,0,0,0|2,0,1]=4 118 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,1,0,0,0,0|0,0,0]=1 119 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,1,0,0,0,0|2,0,1]=4 120 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,1,0,0,0,0|2,0,1]=4 122 B12R1.49 NC(CC1=CC=C(C=C1)O)N=O PH016710 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,0|2,0,1]=4 124 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,0|2,0,1]=4 127 B12R1.50 CNC(=S)NC1=CC(=CC=C1)C PH010051 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.50 CNC(=S)NC1=CC=CC(=C1)F S913731 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.118 C/N=C(\NC1=CC=CC=C1)/SC S630055 [0,1,0,0,0,0|1,0,2]=4 130 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [0,1,0,0,0,0|3,0,0]=4 132 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,1,0,0,0,0|0,0,0]=1 133 B12R1.118 COC(OC)SC1=CC=CC=C1 S866296 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 OTV000771 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.194 CC(C)(C#N)SC1=CC=CC=C1 S919322 [0,1,0,0,0,0|3,0,0]=4 136 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,1,0,0,0,0|2,0,0]=3 137 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,1,0,0,0,0|1,0,0]=2 139 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,0|2,0,1]=4 143 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.371 CNC(=S)NC1=C(C=CC=C1)C PH010050 [0,1,0,0,0,0|2,0,1]=4 145 B12R1.371 CNC(=S)NC1=C(C=CC=C1)Cl PH010055 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.371 CNC(C)CC1=NC=CC=C1C PH015005 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,1,0,0,0,0|2,0,1]=4 149 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,1,0,0,0,0|2,0,1]=4 150 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,0|2,0,1]=4 152 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,0,0,1,0,0|1,0,2]=4 153 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,0,0,1,0,0|1,0,2]=4 154 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,0,0,1,0,0|1,0,2]=4 155 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,0,0,1,0,0|0,0,0]=1 156 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,0,0,1,0,0|2,0,1]=4 157 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,0,0|2,0,1]=4 163 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,0,0|2,0,1]=4 164 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,0,0,1,0,0|3,0,0]=4 165 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,0,0,1,0,0|3,0,0]=4 166 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,0,0,1,0,0|3,0,0]=4 167 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,0,0,1,0,0|2,0,0]=3 168 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,0,0,1,0,0|3,0,0]=4 169 B12R2.24 S=C1NCC2=CC=CC=C2N1 PH005120 [0,0,0,1,0,0|2,0,1]=4 170 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,0,0,1,0,0|2,0,0]=3 171 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,0,0,1,0,0|0,0,0]=1 172 B12R2.32 NNC1CC2=C(C1)C=CC=C2 CBR01348 [0,0,0,1,0,0|1,0,0]=2 173 B12R2.32 NNC1CC2=CC=CC=C2C1 PH019071 [0,0,0,1,0,0|1,0,0]=2 174 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,1,0|2,0,1]=4 175 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,1,0|1,0,2]=4 176 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,0,0,1,0|2,0,0]=3 177 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,1,0|1,0,0]=2 178 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,0,0,1,0|3,0,0]=4 179 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,0,0,1,0|3,0,0]=4 180 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,0,0,1,0|3,0,0]=4 181 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,1,0|3,0,0]=4 182 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,0,0,1,0|3,0,0]=4 184 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,0,0,1,0|2,0,1]=4 185 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,1,0|0,0,0]=1 186 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,1,0|0,0,0]=1 187 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,0,0,0,1,0|2,0,0]=3 188 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,1,0|2,0,1]=4 189 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,0,0,1,0|3,0,0]=4 190 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,0,0,1,0|3,0,0]=4 191 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,1,0|3,0,0]=4 192 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,1,0|2,0,1]=4 193 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,1,0|2,0,1]=4 194 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,0,0,0,0,1|1,0,1]=3 195 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,0,0,0,0,1|2,0,0]=3 196 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,0,0,0,0,1|2,0,1]=4 197 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,0,0,0,0,1|2,0,1]=4 198 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,0,0,0,0,1|1,0,1]=3 199 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,0,0,0,0,1|2,0,1]=4 200 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,0,0,0,0,1|2,0,1]=4 201 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,0,0,0,0,1|2,0,1]=4 202 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,0,0,0,0,1|3,0,0]=4 203 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,1|2,0,1]=4 204 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,1|2,0,1]=4 205 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,0,0,0,0,1|2,0,1]=4 206 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,0,0,0,0,1|3,0,0]=4 207 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,0,0,0,0,1|3,0,0]=4 208 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [2,0,0,0,0,0|2,0,0]=4 209 B9R1.8 CCCC1=CC=NC=C1 S573086 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 CCOC1=CC=CC=N1 S442267 [2,0,0,0,0,0|2,0,0]=4 211 B9R1.8 CNCC1=NC=NC=C1 PH017743 [2,0,0,0,0,0|2,0,0]=4 212 B9R1.8 CNCC1=NC=NC=C1 PH019105 [2,0,0,0,0,0|2,0,0]=4 213 B9R1.8 CNNC1=CC=CC=C1 PH012261 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.8 COCC1=CC=CC=N1 S363146 [2,0,0,0,0,0|2,0,0]=4 215 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [2,0,0,0,0,0|2,0,0]=4 216 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [2,0,0,0,0,0|2,0,0]=4 217 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [2,0,0,0,0,0|1,0,0]=3 218 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [2,0,0,0,0,0|1,0,0]=3 220 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [2,0,0,0,0,0|2,0,0]=4 221 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [2,0,0,0,0,0|2,0,0]=4 222 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [2,0,0,0,0,0|2,0,0]=4 223 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [2,0,0,0,0,0|2,0,0]=4 224 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [2,0,0,0,0,0|2,0,0]=4 225 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [1,1,0,0,0,0|1,0,0]=3 226 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [1,1,0,0,0,0|1,0,0]=3 235 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [1,1,0,0,0,0|0,0,2]=4 239 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [1,1,0,0,0,0|0,0,0]=2 245 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.17 COCCC1=CC=CC=C1Br S809608 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [1,1,0,0,0,0|1,0,1]=4 266 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [1,1,0,0,0,0|1,0,1]=4 270 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [1,1,0,0,0,0|1,0,1]=4 273 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [1,1,0,0,0,0|1,0,1]=4 275 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.28 COCCOC1=CC=CC=C1 S793000 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [1,1,0,0,0,0|2,0,0]=4 291 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [1,1,0,0,0,0|2,0,0]=4 292 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [1,1,0,0,0,0|2,0,0]=4 294 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,1,0,0,0,0|2,0,0]=4 299 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,1,0,0,0,0|2,0,0]=4 300 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,1,0,0,0,0|2,0,0]=4 301 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,1,0,0,0,0|2,0,0]=4 303 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [1,1,0,0,0,0|1,0,0]=3 306 B11R1.91 CN(C)CCC1=CN=CC=N1 PH012649 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [1,1,0,0,0,0|1,0,0]=3 309 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [1,1,0,0,0,0|0,0,0]=2 310 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [1,1,0,0,0,0|1,0,0]=3 311 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,1,0,0,0,0|0,0,2]=4 313 B11R1.20 CC(=CC1=CC=C(C=C1)Cl)C S428086 [1,1,0,0,0,0|0,0,2]=4 314 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,1,0,0,0,0|1,0,1]=4 315 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,1,0,0,0,0|1,0,1]=4 316 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,1,0,0,0,0|1,0,0]=3 317 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,1,0,0,0,0|1,0,0]=3 319 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [1,1,0,0,0,0|1,0,0]=3 320 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [1,1,0,0,0,0|1,0,0]=3 322 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,1,0,0,0,0|0,0,0]=2 325 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,1,0,0,0,0|0,0,0]=2 326 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,1,0,0,0,0|1,0,1]=4 327 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,1,0,0,0,0|1,0,1]=4 328 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [1,1,0,0,0,0|1,0,1]=4 329 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,1,0,0,0,0|0,0,0]=2 330 B11R1.36 CC(C)C(N)C1=CC=CC=N1 CBR00662 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.36 CC(C)C(N)C1=CC=CN=C1 CBR00667 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,1,0,0,0,0|0,0,0]=2 333 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,1,0,0,0,0|1,0,0]=3 336 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,1,0,0,0,0|1,0,0]=3 337 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,1,0,0,0,0|1,0,0]=3 338 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,1,0,0,0,0|1,0,0]=3 339 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,1,0,0,0,0|1,0,0]=3 340 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [1,1,0,0,0,0|1,0,1]=4 341 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,1,0,0,0,0|1,0,1]=4 342 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,1,0,0,0,0|1,0,1]=4 343 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,1,0,0,0,0|1,0,0]=3 344 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,1,0,0,0,0|1,0,1]=4 345 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,1,0,0,0,0|1,0,0]=3 346 B11R1.86 CC(C)OC1=NC=CC=C1I ADE000296 [1,1,0,0,0,0|2,0,0]=4 347 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [1,1,0,0,0,0|1,0,0]=3 348 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [1,1,0,0,0,0|1,0,0]=3 349 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,1,0,0,0,0|1,0,0]=3 350 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [1,1,0,0,0,0|1,0,0]=3 351 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,1,0,0,0,0|1,0,0]=3 352 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,1,0,0,0,0|1,0,1]=4 353 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,1,0,0,0,0|1,0,1]=4 354 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,1,0,0,0,0|1,0,1]=4 355 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,1,0,0,0,0|1,0,1]=4 356 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,1,0,0,0,0|1,0,1]=4 357 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,1,0,0,0,0|1,0,1]=4 358 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [1,1,0,0,0,0|0,0,0]=2 359 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [1,1,0,0,0,0|1,0,0]=3 360 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [1,1,0,0,0,0|2,0,0]=4 361 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [1,1,0,0,0,0|2,0,0]=4 362 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [1,1,0,0,0,0|1,0,0]=3 363 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [1,1,0,0,0,0|2,0,0]=4 364 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,1,0,0,0,0|1,0,0]=3 365 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,1,0,0,0,0|1,0,0]=3 366 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,1,0,0,0,0|1,0,0]=3 367 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,1,0,0,0,0|1,0,0]=3 368 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,1,0,0,0,0|1,0,0]=3 369 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [1,1,0,0,0,0|2,0,0]=4 370 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [1,1,0,0,0,0|0,1,0]=3 371 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,0,0,1,0|1,0,0]=3 372 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,0,0,1,0|1,0,0]=3 373 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,0,0,1,0|1,0,0]=3 374 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,1,0,0,1,0|1,0,0]=3 375 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,1,0,0,1,0|2,0,0]=4 376 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,0,0,1,0|1,0,0]=3 377 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,0,0,1,0|1,0,0]=3 378 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,0,0,1,0|1,0,0]=3 379 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,1,0,0,1,0|2,0,0]=4 380 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,0,0,1,0|0,0,0]=2 381 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,0,0,1,0|2,0,0]=4 384 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,0,0,1,0|2,0,0]=4 385 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,0,0,1,0|2,0,0]=4 386 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,0,0,1,0|2,0,0]=4 387 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,0,0,1,0|2,0,0]=4 388 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,0,0,1,0|2,0,0]=4 389 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,0,0,1,0|2,0,0]=4 390 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,0,0,1,0|2,0,0]=4 391 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,1,0|1,0,1]=4 392 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,1,0|1,0,1]=4 393 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,1,0|1,0,1]=4 394 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,1,0|1,0,1]=4 395 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,0,0,1,0|0,0,0]=2 396 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,0,0,1,0|2,0,0]=4 397 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,0,0,1,0|2,0,0]=4 398 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,1,0|1,0,1]=4 399 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,1,0|1,0,1]=4 400 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,1,0|1,0,1]=4 401 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,1,0|1,0,1]=4 402 B11R1.23 CNN(C)C1=CC=CC(=C1)Br PH012310 [0,1,0,0,1,0|1,0,0]=3 403 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,0,0,1,0|2,0,0]=4 404 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,1,0|1,0,1]=4 405 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,1,0|1,0,1]=4 406 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,1,0|1,0,1]=4 407 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,1,0|1,0,1]=4 408 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [0,1,0,0,0,1|1,0,1]=4 409 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [0,1,0,0,0,1|2,0,0]=4 410 B13R1.11 CNC(=O)CC(O)C1=CC=CC=C1 R127094 [0,1,0,0,0,1|1,0,1]=4 411 B13R1.14 CNC(=O)OCC1=CC=C(C=C1)Cl PH009074 [0,1,0,0,0,1|1,0,1]=4 412 B13R1.14 CNC(C)COC1=CC=C(C=C1)O S397989 [0,1,0,0,0,1|0,0,0]=2 413 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,1,0,0,0,1|1,0,1]=4 414 B13R1.42 CCCC(O)CSC1=CC=CC=C1 S314021 [0,1,0,0,0,1|2,0,0]=4 415 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [0,1,0,0,0,1|2,0,0]=4 416 B13R1.42 CNCC(O)COC1=CC=CC=C1 CDS001676 [0,1,0,0,0,1|1,0,0]=3 417 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,1,0,0,0,1|1,0,1]=4 418 B13R1.254 CCC(C)(O)C#CC1=CC=CC=C1 PH010916 [0,1,0,0,0,1|1,0,1]=4 419 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [0,1,0,0,0,1|1,0,0]=3 420 B13R1.351 CC(COC1=CC=CC=C1)N(C)C PH012071 [0,1,0,0,0,1|0,0,0]=2 421 B13R1.351 CC(CSC1=CC=CC=C1)C(=O)O PH010131 [0,1,0,0,0,1|2,0,0]=4 422 B13R1.351 CN(C)C(=S)NCC1=CC=CC=C1 S542717 [0,1,0,0,0,1|1,0,1]=4 423 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O PH017935 [0,1,0,0,0,1|2,0,0]=4 424 B13R1.417 COC(CSC1=CC=CC=C1)OC T216658 [0,1,0,0,0,1|1,0,0]=3 425 B13R1.417 ClCC(CBr)OCC1=CC=CC=C1 S988103 [0,1,0,0,0,1|2,0,0]=4 426 B13R1.528 CCC(C)/N=C/C1=C(C=CC=C1)O PH008261 [0,1,0,0,0,1|1,0,1]=4 427 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,1,0,0,0,1|1,0,1]=4 428 B13R1.44 CCCCC(O)CC1=CC=CC=C1 S782025 [0,2,0,0,0,0|2,0,0]=4 429 B13R1.44 CN(CCCCl)CC1=CC=CC=C1 S427357 [0,2,0,0,0,0|2,0,0]=4 430 B13R1.44 CN(CCCN)CC1=CC=CC=C1 OTV000381 [0,2,0,0,0,0|2,0,0]=4 431 B13R1.44 CNCCN(C)CC1=CC=CC=C1 PH014509 [0,2,0,0,0,0|1,0,0]=3 432 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [0,2,0,0,0,0|1,0,1]=4 433 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [0,2,0,0,0,0|1,0,0]=3 434 B13R1.79 CCN(CCCl)CC1=CC=CC=C1 S376841 [0,2,0,0,0,0|2,0,0]=4 435 B13R1.79 CCS/C(=N/C1=CC=CC=C1)/NC PH012162 [0,2,0,0,0,0|1,0,1]=4 436 B13R1.348 CC(CC1=CC=CC=C1)NC(=S)N L259071 [0,2,0,0,0,0|0,0,1]=3 437 B13R1.348 CC(CN(C)C)OC1=CC=CC=C1 PH012058 [0,2,0,0,0,0|1,0,0]=3 438 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [0,2,0,0,0,0|1,0,0]=3 439 B13R1.348 C[C@H](CC1=CC=CC=C1)NC(=O)N PH008163 [0,2,0,0,0,0|0,0,1]=3 440 B13R1.470 CCNC(=O)CC1=CC=CC=C1Br CDS023697 [0,2,0,0,0,0|1,0,1]=4 441 B13R1.1327 CCCC(C)(O)CC1=CC=CC=C1 S946702 [0,2,0,0,0,0|1,0,0]=3 442 B13R1.1327 C[N+]([O-])(CCO)CC1=CC=CC=C1 S412228 [0,2,0,0,0,0|2,0,0]=4 443 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [0,2,0,0,0,0|0,0,0]=2 444 B13R1.152 CC(=O)C(Br)C(Br)C1=CC=CC=C1 S366706 [0,2,0,0,0,0|2,0,0]=4 445 B13R1.152 CC(C(=O)O)C(C)C1=CC=CC=C1 S697214 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.152 CC(C(O)C1=CC=CC=C1)[N+](=O)[O-] S919144 [0,2,0,0,0,0|1,0,1]=4 447 B13R1.152 C[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 T292249 [0,2,0,0,0,0|2,0,0]=4 448 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 KOB0162 [0,2,0,0,0,0|2,0,0]=4 449 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 KOB0154 [0,2,0,0,0,0|2,0,0]=4 450 B13R1.532 CCC(C)C(C#N)C1=CC=CC=C1 S381632 [0,2,0,0,0,0|1,0,0]=3 451 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [0,2,0,0,0,0|1,0,0]=3 452 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [0,2,0,0,0,0|2,0,0]=4 453 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [0,2,0,0,0,0|2,0,0]=4 454 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [0,2,0,0,0,0|2,0,0]=4 455 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [0,2,0,0,0,0|2,0,0]=4 456 B13R1.133 CC(=O)C(Cl)CC1=CC=C(C=C1)Cl S567140 [0,2,0,0,0,0|2,0,0]=4 457 B13R1.133 CC(CC1=CC=C(C=C1)O)C(=O)O PH008203 [0,2,0,0,0,0|2,0,0]=4 458 B13R1.133 CC1=CC=C(C=C1)CC(C)C(=O)O R245267 [0,2,0,0,0,0|2,0,0]=4 459 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)Br CBR00435 [0,2,0,0,0,0|1,0,1]=4 460 B13R1.133 CN(C)C(=O)CC1=CC=C(C=C1)O CDS020902 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.133 C[C@H](CC1=CC=C(C=C1)N)C(=O)O PH001854 [0,2,0,0,0,0|2,0,0]=4 462 B13R1.148 CC(=O)C(Cl)CC1=CC=CC(=C1)Cl S567183 [0,2,0,0,0,0|2,0,0]=4 463 B13R1.148 CN(C)C(=O)CC1=CC(=CC=C1)Cl PH008587 [0,2,0,0,0,0|1,0,1]=4 464 B13R1.202 CC(=O)C(Cl)CC1=CC=CC=C1Cl S567191 [0,2,0,0,0,0|2,0,0]=4 465 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 S722154 [0,2,0,0,0,0|2,0,0]=4 466 B13R1.418 CCC(CC1=CC=CC=C1)C(=O)N PH008852 [0,2,0,0,0,0|1,0,1]=4 467 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [0,2,0,0,0,0|1,0,0]=3 470 B13R1.1073 CN(C)C(C)(C)CC1=CC=CC=C1 PH012626 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.1073 CN(C)S(=O)(=O)CC1=CC=CC=C1 T299715 [0,2,0,0,0,0|2,0,0]=4 472 B13R1.1073 C[S+](C)C(C)(C)CC1=CC=CC=C1 S128457 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.5 COC1=CC=C(C=C1)CC(C)NO PH012699 [0,2,0,0,0,0|1,0,0]=3 474 B13R1.145 CCN(CC)CC1=CC=C(C=C1)N BBO000509 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.249 CNC(C)(C)CC1=CC=C(C=C1)Cl PH013781 [0,2,0,0,0,0|0,0,0]=2 476 B13R1.2879 CCC(N)CC1=CC(=C(C=C1)C)O T340685 [0,2,0,0,0,0|2,0,0]=4 477 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N CBR00121 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.146 CCN(CC)CC1=CC(=CC=C1)N R238724 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.3080 CC(CO)(CO)CC1=CC=CC=C1 S671630 [0,2,0,0,0,0|2,0,0]=4 480 B13R1.3080 CC[Si](O)(CC)CC1=CC=CC=C1 S827398 [0,2,0,0,0,0|1,1,0]=4 481 B13R1.91 CNC(C)CC1=C(C=CC=C1)OC PH011732 [0,2,0,0,0,0|0,0,0]=2 482 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [1,0,0,1,0,0|0,0,0]=2 483 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [1,0,0,1,0,0|1,0,1]=4 484 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [1,0,0,1,0,0|1,0,0]=3 485 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [1,0,0,1,0,0|2,0,0]=4 486 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [1,0,0,1,0,0|2,0,0]=4 487 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [1,0,0,1,0,0|1,0,0]=3 488 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [1,0,0,1,0,0|2,0,0]=4 489 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [1,0,0,1,0,0|1,0,0]=3 490 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [1,0,0,1,0,0|2,0,0]=4 491 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [1,0,0,1,0,0|1,0,0]=3 492 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [1,0,0,1,0,0|1,0,0]=3 493 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [1,0,0,1,0,0|1,0,1]=4 494 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [1,0,0,1,0,0|1,0,0]=3 495 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [0,0,0,1,1,0|2,0,0]=4 496 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,1,0,1|1,0,1]=4 497 B13R2.32 CC1COC2=C(C1O)C=CC=C2 PH009239 [0,0,0,1,0,1|2,0,0]=4 498 B13R2.32 CN1C(=O)CSC2=CC=CC=C12 T313084 [0,0,0,1,0,1|1,0,1]=4 499 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [0,0,0,1,0,1|0,0,0]=2 500 B13R2.33 O=C1CNC2=CC=CC=C2CN1 CDS003920 [0,0,0,1,0,1|1,0,1]=4 501 B13R2.57 BrCC1CCC2=CC=CC=C2C1 T212164 [0,0,0,1,0,1|2,0,0]=4 502 B13R2.57 COC1CCC2=C(C1)C=CC=N2 PH009621 [0,0,0,1,0,1|2,0,0]=4 503 B13R2.57 OCC1CCC2=CC=CC=C2C1 T212156 [0,0,0,1,0,1|2,0,0]=4 504 B13R2.2383 C1=CC=C(C=C1)COC2CNC2 CBR01702 [0,0,0,1,0,1|2,0,0]=4 505 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,1,0,1,0,0|0,0,0]=2 506 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,1,0,1,0,0|2,0,0]=4 507 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,1,0,1,0,0|2,0,0]=4 508 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,1,0,1,0,0|1,0,1]=4 509 B13R2.64 C1=CC(=CN=C1)CC2=NCCN2 PH012887 [0,1,0,1,0,0|1,0,1]=4 510 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 PH011177 [0,1,0,1,0,0|2,0,0]=4 511 B13R2.64 C1=CC=C(C=C1)CN2CCOC2 CDS000096 [0,1,0,1,0,0|2,0,0]=4 512 B13R2.64 C1=CC=C(C=C1)C[S+]2CCCC2 SYX00265 [0,1,0,1,0,0|2,0,0]=4 513 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 PH011144 [0,1,0,1,0,0|2,0,0]=4 514 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [0,1,0,1,0,0|2,0,0]=4 515 B13R2.64 C1=CC=C(N=C1)CC2CCCN2 CDS013764 [0,1,0,1,0,0|1,0,0]=3 516 B13R2.64 C1=CN=C(C=N1)CC2CCNC2 PH018392 [0,1,0,1,0,0|2,0,0]=4 517 B13R2.64 N1CCN=C1CC2=CC=CC=C2 S734241 [0,1,0,1,0,0|0,0,1]=3 518 B13R2.163 OC1CCCC2=C(C1)C=CC=C2 S58158 [0,1,0,1,0,0|2,0,0]=4 519 B13R2.444 CC(NC1=CC=CC=C1)C2CC2 S248886 [0,1,0,1,0,0|2,0,0]=4 520 B13R2.45 CN1C(=NC2=C1C=CC=C2)CCl T161810 [0,1,0,1,0,0|1,0,1]=4 521 B13R2.45 CN1C2=CC=CC=C2N=C1CN CDS023403 [0,1,0,1,0,0|1,0,1]=4 522 B13R2.45 COC1CC2=CC=CC=C2C1O PH010215 [0,1,0,1,0,0|1,0,0]=3 523 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,1,0,1,0,0|1,0,1]=4 524 B13R2.3085 CC1=[N+](C2=C(N1C)C=CC=C2)C S30032 [0,1,0,1,0,0|1,0,1]=4 525 B13R2.3085 CC1C(=N)N(C2=C1C=CC=C2)C R101125 [0,1,0,1,0,0|1,0,1]=4 526 B13R2.3085 CC1C(=O)N(C2=C1C=CC=C2)C PH008863 [0,1,0,1,0,0|1,0,1]=4 527 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [0,1,0,1,0,0|1,0,1]=4 528 B13R2.359 CC1CC2=C(S1(=O)=O)C=CC=C2 S100218 [0,1,0,1,0,0|2,0,0]=4 529 B13R2.369 CC1=NC2=CC=CC=C2CN1C PH013505 [0,1,0,1,0,0|1,0,1]=4 530 B13R2.369 CC1CC2=CC=CC=C2NC1=O PH002978 [0,1,0,1,0,0|2,0,0]=4 531 B13R2.369 CC1CC2=CC=CC=C2OC1=O T217115 [0,1,0,1,0,0|2,0,0]=4 532 B13R2.42 CC1=CC=C(C=C1)[C@@H]2C[C@H]2C=O PH018823 [0,1,0,1,0,0|2,0,0]=4 533 B13R2.148 NC1(CC1)CC2=CC=C(C=C2)Cl CBR00921 [0,1,0,1,0,0|2,0,0]=4 534 B13R2.5179 NC1=CC=CC2=C1CCC(C2)O PH012616 [0,1,0,1,0,0|2,0,0]=4 535 B13R2.5190 CC1=NC2=C(N1C)C=CC(=C2)Cl PH003360 [0,1,0,1,0,0|1,0,1]=4 536 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)Cl PH009430 [0,1,0,1,0,0|1,0,1]=4 537 B13R2.5190 CN1C(=O)CC2=C1C=CC(=C2)O PH010625 [0,1,0,1,0,0|1,0,1]=4 538 B13R2.103 OCC1(CC2=CC=CC=C2C1)O PH016163 [0,1,0,1,0,0|2,0,0]=4 539 B13R2.222 C[N+]1(CCC2=C(C1)C=CC=C2)C S882763 [0,1,0,1,0,0|2,0,0]=4 540 B13R2.217 NC1(CC1)CC2=CC=CC=C2Cl PH019115 [0,1,0,1,0,0|2,0,0]=4 541 B13R2.4825 N1C2=C(C=CC=C2C)C(C1C)C S356670 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.12 CCCCC1=CC=CO1 CDS001204 [1,0,0,0,1,0|2,0,0]=4 543 B9R1.12 CCCCC1=CC=CS1 CDS001487 [1,0,0,0,1,0|2,0,0]=4 544 B9R1.12 CNCCN1C=CN=C1 CBR02318 [1,0,0,0,1,0|2,0,0]=4 545 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,0,0,1,0|2,0,0]=4 546 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,1,0|1,0,0]=3 547 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,0,0,1,0|1,0,0]=3 548 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,0,0,1,0|1,0,0]=3 549 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,0,0,1,0|1,0,0]=3 550 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,1,0|1,0,0]=3 551 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,0,0,1,0|1,0,0]=3 552 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [1,0,0,0,1,0|2,0,0]=4 553 B9R1.13 CC(O)CC1=CC=CS1 S365017 [1,0,0,0,1,0|2,0,0]=4 554 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,0,0,0,2,0|2,0,0]=4 555 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,0,0,0,2,0|1,0,0]=3 556 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [0,0,0,0,0,2|2,0,0]=4