0 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.256 CC(C)C1=CC=C(C=C1)B(O)O CDS013712 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.256 CC(Cl)C1=CC=C(C=C1)[N+](=O)[O-] S799831 [0,0,0,0,0,0|3,0,0]=3 7 B12R1.256 CC(O)C1=CC=C(C=C1)C(C)O R581933 [0,0,0,0,0,0|1,0,2]=3 8 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.256 CN(C)C1=CC=C(C=C1)N(C)C R462608 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.256 CS(=O)C1=CC=C(C=C1)B(O)O CDS001613 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.256 O=C(S)C1=CC=C(C=C1)C(=O)S S427888 [0,0,0,0,0,0|3,0,1]=4 15 B12R1.256 O=[N+]([O-])C1=CC=C(C=C1)C(F)F MNO000032 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.3 C#CC1=CC=C(C=C1)C(C)C CDS003828 [1,0,0,0,0,0|0,0,2]=3 18 B11R1.3 C(=O)C1=CN=C(N=C1)N(C)C CBR00347 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.3 CC(C)C1=CC=C(C=C1)CN L481181 [1,0,0,0,0,0|1,0,1]=3 20 B11R1.3 CC(C)C1=CC=C(C=C1)CN S362883 [1,0,0,0,0,0|1,0,1]=3 21 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,0,0,0,0,0|1,1,0]=3 23 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,0,0,0,0,0|1,1,0]=3 24 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.3 CN(C)C1=CC=C(C=N1)C=O CDS015705 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.3 COC1=CCC(=CC1)C(C)C T209813 [1,0,0,0,0,0|1,0,2]=4 32 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [1,0,0,0,0,0|2,1,0]=4 34 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.3 O=[N+]([O-])C1=CC=C(C=C1)CI S534765 [1,0,0,0,0,0|3,0,0]=4 39 B13R1.120 C=C(C)C1=CC=C(C=C1N)C(=O)O S336912 [0,1,0,0,0,0|1,0,2]=4 40 B13R1.120 CC(=O)C1=C(N=C(N=C1)N(C)C)C S215996 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.120 CC(=O)C1=CC=C(C=C1N)[N+](=O)[O-] S639966 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.120 CC1=C(C=CC(=C1)C(=O)O)N(C)C OTV000739 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.120 CN(C)C1=CC=C(C(=C1)O)C(=O)O S462195 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.338 CC(=O)C1=CC=C(C=C1)C(C)(C)C S552089 [0,1,0,0,0,0|0,0,0]=1 45 B13R1.338 CC(=O)C1=CC=C(C=C1)S(=O)(=O)O PH008123 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.338 CC(Br)C1=CC=C(C=C1)S(=O)(=O)F S592757 [0,1,0,0,0,0|3,0,0]=4 47 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O S39099 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.338 CC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S918148 [0,1,0,0,0,0|2,0,0]=3 49 B13R1.338 CC(C)(O)C1=CC=C(C=C1)[N+](=O)[O-] S919039 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.338 CC(C)C1=CC=C(C=C1)S(=O)(=O)N T315052 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.338 CC(N)C1=CC=C(C=C1)C(C)(C)C CDS020210 [0,1,0,0,0,0|1,0,1]=3 52 B13R1.338 CC(N)C1=CC=C(C=C1)S(=O)(=O)C CDS015287 [0,1,0,0,0,0|2,0,0]=3 53 B13R1.338 CN(C)C1=CC=C(C=C1)[Si](C)(C)C S833908 [0,1,0,0,0,0|2,1,0]=4 54 B13R1.338 CS(=O)(=O)C1=CC=C(C=C1)C(=O)N EME00434 [0,1,0,0,0,0|3,0,0]=4 55 B13R1.338 C[Si](C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S813567 [0,1,0,0,0,0|2,1,0]=4 56 B13R1.338 O=C(O)C1=CC=C(C=C1)C(Cl)(Cl)Cl PH007229 [0,1,0,0,0,0|3,0,0]=4 57 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl OTV000348 [0,1,0,0,0,0|0,0,0]=1 58 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,1,0,0,0,0|1,0,0]=2 59 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,1,0,0,0,0|0,0,0]=1 60 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,1,0,0,0,0|1,0,0]=2 61 B13R1.537 CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] L259128 [0,1,0,0,0,0|3,0,0]=4 62 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CBr CDS005074 [0,1,0,0,0,0|1,0,0]=2 63 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [0,1,0,0,0,0|2,0,1]=4 64 B13R1.537 CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] R580031 [0,1,0,0,0,0|3,0,0]=4 65 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,1,0,0,0,0|1,0,0]=2 66 B13R1.537 NCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] PH011994 [0,1,0,0,0,0|3,0,0]=4 67 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S174025 [0,1,0,0,0,0|3,0,0]=4 68 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S39560 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S39579 [0,1,0,0,0,0|3,0,0]=4 70 B13R1.537 NCC(O)C1=CC=C(C=C1)[N+](=O)[O-] S61981 [0,1,0,0,0,0|3,0,0]=4 71 B13R1.537 O=C(CO)C1=CC=C(C=C1)[N+](=O)[O-] KOB0089 [0,1,0,0,0,0|3,0,0]=4 72 B13R1.537 O=[N+]([O-])C1=CC=C(C=C1)C(O)CO R416576 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.428 OB(O)C1=CC=C(C=C1)C2CC2 CDS008834 [0,0,0,1,0,0|2,0,1]=4 74 B11R1.175 CC(=O)C1=CC=C(S1)C(=O)C S223840 [0,0,0,0,1,0|2,0,1]=4 75 B11R1.175 CC(C)N1C=C(C=N1)C(=O)O CBR00220 [0,0,0,0,1,0|3,0,0]=4 76 B11R1.175 CC(C)N1C=CC(=N1)C(=O)O CDS002623 [0,0,0,0,1,0|3,0,0]=4 77 B13R1.585 CC(=O)C1=CC=C(C=C1)NC(=O)N S730688 [0,0,0,0,0,1|2,0,1]=4 78 B13R1.585 CC(=O)NC1=CC=C(C=C1)N(C)C S875422 [0,0,0,0,0,1|1,0,0]=2 79 B13R1.585 CC(=O)NC1=CC=C(C=C1)S(=O)O S436135 [0,0,0,0,0,1|3,0,0]=4 80 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C S412341 [0,0,0,0,0,1|1,0,1]=3 81 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=S)N BOG00005 [0,0,0,0,0,1|2,0,1]=4 82 B13R1.585 CC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] S888524 [0,0,0,0,0,1|3,0,0]=4 83 B13R1.585 CC(C)C1=CC=C(C=C1)CC(=O)O S888613 [0,0,0,0,0,1|1,0,0]=2 84 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O PH011464 [0,0,0,0,0,1|1,0,0]=2 85 B13R1.585 CC(C)NC1=CC=C(C=C1)[N+](=O)[O-] VBP00002 [0,0,0,0,0,1|2,0,0]=3 86 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)Cl PH010629 [0,0,0,0,0,1|1,0,0]=2 87 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)N EME00442 [0,0,0,0,0,1|1,0,0]=2 88 B13R1.585 CC(C)OC1=CC=C(C=C1)[N+](=O)[O-] PH010976 [0,0,0,0,0,1|2,0,0]=3 89 B13R1.585 CN(C)CC1=CC=C(C=C1)[N+](=O)[O-] PH012028 [0,0,0,0,0,1|3,0,0]=4 90 B13R1.585 CN(C)CC1=CC=C(C=N1)C(=O)O PH015694 [0,0,0,0,0,1|3,0,0]=4 91 B13R1.585 NC(=O)C1=CC=C(C=C1)OC(F)F EME00446 [0,0,0,0,0,1|3,0,0]=4 92 B13R1.585 O=C(Cl)C1=CC=C(C=C1)OC(F)F CDS011319 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.3 CCC1=CC=C(C=C1)CN L480800 [2,0,0,0,0,0|1,0,1]=4 94 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.3 CSC1=CC=C(C=C1)CN CDS002972 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [2,0,0,0,0,0|1,0,0]=3 97 B10R1.3 O=CC1=CC=C(N=C1)CF PH016021 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.3 [C-]#[N+]C1=CC=C(C=C1)CC PH015675 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.13 CC(C)C1=CC=C(C=C1)F S362034 [2,0,0,0,0,0|1,0,0]=3 104 B10R1.13 CC(C)C1=CC=C(C=C1)S R262188 [2,0,0,0,0,0|0,1,0]=3 105 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.13 CN(C)C1=CC=C(C=C1)S CDS006116 [2,0,0,0,0,0|1,1,0]=4 109 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.13 C[N+]1=CC=C(C=C1)[S+](C)C S887838 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [2,0,0,0,0,0|2,0,0]=4 114 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.5 CCC1=CC=C(C=C1)/C(=N\O)/N BOG00048 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.5 CCN(C)C1=CC=C(C=C1)C=O CDS023138 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [1,1,0,0,0,0|1,0,1]=4 119 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [1,1,0,0,0,0|1,0,0]=3 120 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [1,1,0,0,0,0|1,0,0]=3 121 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [1,1,0,0,0,0|1,0,0]=3 122 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [1,1,0,0,0,0|1,0,0]=3 123 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [1,1,0,0,0,0|1,0,0]=3 124 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [1,1,0,0,0,0|2,0,0]=4 129 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [1,1,0,0,0,0|2,0,0]=4 130 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [1,1,0,0,0,0|2,0,0]=4 134 B12R1.6 CCC1=CC=C(C=C1)S(=O)(=O)Cl R436526 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [1,1,0,0,0,0|1,0,0]=3 136 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [1,1,0,0,0,0|2,0,0]=4 137 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)C=O CDS003885 [1,1,0,0,0,0|2,0,0]=4 138 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CBr VBP00037 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.6 CS(=O)(=O)C1=CC=C(C=C1)CN CDS004083 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.6 CSC1=CC=C(C=C1)C(C)(C)C S918202 [1,1,0,0,0,0|1,0,0]=3 141 B12R1.48 CC(C)C1=CC=C(C(=C1)F)CN PH019497 [1,1,0,0,0,0|1,0,1]=4 142 B12R1.48 CC1=CC(=CC=C1C=O)N(C)C PH010205 [1,1,0,0,0,0|1,0,0]=3 143 B12R1.48 CCC1=CC=C(C=C1Cl)[N+](=O)[O-] S770396 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.48 CCC1=CC=C(C=C1N)[N+](=O)[O-] S752118 [1,1,0,0,0,0|2,0,0]=4 145 B12R1.48 CN(C)C1=NC(=C(C=C1)C=O)Cl CDS023869 [1,1,0,0,0,0|2,0,0]=4 146 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [1,1,0,0,0,0|1,0,0]=3 147 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [1,1,0,0,0,0|2,0,0]=4 148 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [1,1,0,0,0,0|2,0,0]=4 149 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.113 C(=O)CC1=CC=C(C=C1)C(C)C CDS020743 [1,1,0,0,0,0|0,0,0]=2 151 B12R1.113 C(=O)NC1=CC=C(C=C1)N(C)C T288748 [1,1,0,0,0,0|1,0,0]=3 152 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [1,1,0,0,0,0|1,0,1]=4 153 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [1,1,0,0,0,0|0,0,1]=3 154 B12R1.113 CC(=O)C1=CC=C(C=C1)N=[N+]=[N-] CDS003883 [1,1,0,0,0,0|2,0,0]=4 155 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.113 CC(C)C1=CC=C(C=C1)N=C=S S648868 [1,1,0,0,0,0|0,1,1]=4 157 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [1,1,0,0,0,0|1,1,0]=4 158 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.113 CN(C)C1=CC=C(C=C1)CCN CDS010287 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [1,1,0,0,0,0|1,0,0]=3 161 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [1,1,0,0,0,0|2,0,0]=4 162 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [1,1,0,0,0,0|1,0,0]=3 163 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [1,1,0,0,0,0|1,0,0]=3 164 B12R1.113 NCCC1=CC=C(C=C1)[N+](=O)[O-] OTV000173 [1,1,0,0,0,0|2,0,0]=4 165 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [1,1,0,0,0,0|1,0,0]=3 166 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [1,1,0,0,0,0|2,0,0]=4 167 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [1,1,0,0,0,0|2,0,0]=4 168 B14R1.414 CC(=O)C1=CC=C(C=C1)CC(C)(C)N PH013789 [0,1,0,0,0,1|0,0,0]=2 169 B14R1.414 CC(=O)C1=CC=C(C=C1)NS(=O)(=O)C S916854 [0,1,0,0,0,1|2,0,0]=4 170 B14R1.414 CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C PH009144 [0,1,0,0,0,1|2,0,0]=4 171 B14R1.414 CC(=O)C1=CC=C(C=C1)SC(F)(F)F MNO000016 [0,1,0,0,0,1|2,0,0]=4 172 B14R1.717 CC(C)CC1=CC=C(C=C1)/C(=N/O)/N PH015338 [0,1,0,0,0,1|1,0,1]=4 173 B14R1.717 CC(C)CC1=CC=C(C=C1)C(=O)CBr PH015511 [0,1,0,0,0,1|0,0,0]=2 174 B14R1.717 CCC(=O)C1=CC=C(C=C1)NC(=O)C S624128 [0,1,0,0,0,1|1,0,1]=4 175 B14R1.717 CCC(C)C1=CC=C(C=C1)NC(=O)C R591653 [0,1,0,0,0,1|0,0,0]=2 176 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)C PH016802 [0,1,0,0,0,1|1,0,1]=4 177 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=O)C PH006900 [0,1,0,0,0,1|1,0,1]=4 178 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(C)(C)C S914487 [0,1,0,0,0,1|0,0,0]=2 179 B14R1.806 CC(=O)NC1=CC=C(C=C1)C(F)(F)F S782149 [0,1,0,0,0,1|2,0,0]=4 180 B14R1.806 CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C S373621 [0,1,0,0,0,1|2,0,0]=4 181 B14R1.806 CC(=O)OC1=CC=C(C=C1)C(C)(C)C S374121 [0,1,0,0,0,1|0,0,0]=2 182 B14R1.806 CC(C)(C)C1=CC=C(C=C1)NC(=S)N S937401 [0,1,0,0,0,1|1,1,0]=4 183 B14R1.806 CC(C)CC1=CC=C(C=C1)S(=O)(=O)Cl CDS002428 [0,1,0,0,0,1|2,0,0]=4 184 B14R1.806 CC(C)OC1=CC=C(C=C1)S(=O)(=O)Cl CDS021898 [0,1,0,0,0,1|2,0,0]=4 185 B14R1.2879 C(=O)C(C)CC1=CC=C(C=C1)C(C)C S405361 [0,1,0,0,0,1|0,0,1]=3 186 B14R1.2879 CC(=O)C1=CC=C(C=C1)NC(=O)CI R871273 [0,1,0,0,0,1|1,0,1]=4 187 B14R1.2879 CC(C)C1=CC=C(C=C1)NC(=O)CCl S188824 [0,1,0,0,0,1|0,0,0]=2 188 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)C S729825 [0,1,0,0,0,1|1,0,1]=4 189 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(C)C S282871 [0,1,0,0,0,1|0,0,0]=2 190 B14R1.2879 CNC(=O)OC1=CC=C(C=C1)C(=O)C S855073 [0,1,0,0,0,1|1,0,1]=4 191 B14R1.2879 CNC(=S)NC1=CC=C(C=C1)C(=O)C S917060 [0,1,0,0,0,1|1,0,1]=4 192 B14R1.2879 CN[C@@H](C)CC1=CC=C(C=C1)C(=O)C PH013788 [0,1,0,0,0,1|0,0,0]=2 193 B14R1.5801 CC(=O)OC1=CC(=C(C=C1)C(=O)C)O S809209 [0,1,0,0,0,1|1,0,1]=4 194 B14R1.6402 CC(C)C(=O)C1=CC=C(C=C1)N(C)C ANV00311 [0,1,0,0,0,1|2,0,0]=4 195 B14R1.6402 CC(C)C1=CC=C(C=C1)C(O)C(=O)O PH010353 [0,1,0,0,0,1|1,0,0]=3 196 B14R1.747 CCC(O)C1=CC=C(C(=C1)O)C(=O)O T135275 [0,2,0,0,0,0|2,0,0]=4 197 B14R1.6034 CC1=CC(=C(C=C1C(C)C)C)C(C)C S360740 [0,2,0,0,0,0|1,0,1]=4 198 B14R1.6039 CC(=O)C1=CC(=C(C=C1)C(C)(C)C)Br OTV000828 [0,2,0,0,0,0|0,0,0]=2 199 B14R1.6039 CC(C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])Br L169846 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.6039 CC(C)(C)C1=CC=C(C=C1N)C(=O)O S877158 [0,2,0,0,0,0|1,0,0]=3 201 B14R1.307 CC(C)(C#N)C1=CC=C(C=C1)C(=O)O CDS007138 [0,2,0,0,0,0|1,0,0]=3 202 B14R1.307 CSC(C)(C)C1=CC=C(C=C1)[N+](=O)[O-] S919330 [0,2,0,0,0,0|2,0,0]=4 203 B14R1.719 CC(C)(C)C1=CC=C(C=C1)/C(=N\O)/N PH015583 [0,2,0,0,0,0|1,0,1]=4 204 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)C EME00021 [0,2,0,0,0,0|2,0,0]=4 205 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O PH014225 [0,2,0,0,0,0|2,0,0]=4 206 B14R1.3332 CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[S-] L203572 [0,2,0,0,0,0|2,0,0]=4 207 B14R1.610 CC(C)C1=CC=C(C=C1)C(N)CCO BBO000389 [0,2,0,0,0,0|1,0,1]=4 208 B14R1.610 CCCC(C)C1=CC=C(C=C1)C(=O)N S330124 [0,2,0,0,0,0|1,0,0]=3 209 B14R1.610 CCCC(C)C1=CC=C(C=C1)C(=O)N S330140 [0,2,0,0,0,0|1,0,0]=3 210 B14R1.610 CCCC(C)C1=CC=C(C=C1)C(=O)N S335290 [0,2,0,0,0,0|1,0,0]=3 211 B14R1.610 CCCC(C)C1=CC=C(C=C1)C(=O)O S486167 [0,2,0,0,0,0|1,0,0]=3 212 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(Br)Br S373427 [0,2,0,0,0,0|2,0,0]=4 213 B14R1.610 CCOC(=O)C1=CC=[N+](C=C1)C(C)C R152072 [0,2,0,0,0,0|1,0,0]=3 214 B14R1.610 CN(C)C1=CC=C(C=C1)C(=O)CC#N PH010273 [0,2,0,0,0,0|1,0,0]=3 215 B14R1.610 CN(CCO)C1=CC=C(C=C1)C(=O)O CBR01184 [0,2,0,0,0,0|2,0,0]=4 216 B14R1.718 CNC(=O)C1=CC=C(C=C1)C(=O)NC S347353 [0,2,0,0,0,0|1,0,1]=4 217 B14R2.601 CC(=O)C1=CC2=C(C=C1)OC(C2)C CDS015109 [0,0,0,1,0,1|0,0,0]=2 218 B14R2.601 CC(C)C1=CC2=C(C=C1)N=C(S2)N CDS007780 [0,0,0,1,0,1|1,1,0]=4 219 B14R2.601 CC1=NC2=CC=C(C=C2S1)N(C)C PH007286 [0,0,0,1,0,1|1,1,0]=4 220 B14R2.601 CC1CC2=CC(=CC=C2O1)C(=O)O CDS014711 [0,0,0,1,0,1|1,0,0]=3 221 B14R2.9474 O=[N+]([O-])C1=CC=C(C=C1)NC2CC2 EME00352 [0,0,0,1,0,1|2,0,0]=4 222 B10R1.31 C(=O)C1=CC=C(O1)N(C)C CDS002392 [1,0,0,0,1,0|2,0,0]=4 223 B10R1.31 C(=O)C1=CC=C(S1)N(C)C CDS011356 [1,0,0,0,1,0|2,0,0]=4 224 B10R1.31 C(=O)C1=CSC(=N1)C(C)C SYX00125 [1,0,0,0,1,0|2,0,0]=4 225 B10R1.31 CC(=O)C1=CC(=CS1)CCl CBR01251 [1,0,0,0,1,0|2,0,0]=4 226 B10R1.31 CC(C)C1=NC(=CO1)C=O CBR02086 [1,0,0,0,1,0|2,0,0]=4 227 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [1,0,0,0,1,0|2,0,0]=4 228 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [1,0,0,0,1,0|2,0,0]=4 229 B12R1.4 C#CC1=CC=C(C=C1)CC(C)C S683094 [1,0,0,0,0,1|0,0,2]=4 230 B12R1.4 C(=O)C1=CC=C(C=C1)OC(C)C CDS014228 [1,0,0,0,0,1|0,0,0]=2 231 B12R1.4 C=CC1=CC=C(C=C1)CN(C)C TMT00671 [1,0,0,0,0,1|1,0,1]=4 232 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO PH010581 [1,0,0,0,0,1|1,0,0]=3 233 B12R1.4 CC(=O)NC1=CC=C(C=C1)[Hg]Cl S881155 [1,0,0,0,0,1|2,0,0]=4 234 B12R1.4 CC(=O)OC1=CC=C(C=C1)C#N PH011683 [1,0,0,0,0,1|1,0,1]=4 235 B12R1.4 CC(C)CC1=CC=C(C=C1)C#N PH017291 [1,0,0,0,0,1|1,0,1]=4 236 B12R1.4 CC(C)CC1=CC=C(C=C1)C=O CDS000461 [1,0,0,0,0,1|0,0,0]=2 237 B12R1.4 CCC1=CC=C(C=C1)NC(=N)N S614599 [1,0,0,0,0,1|2,0,0]=4 238 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C S752002 [1,0,0,0,0,1|0,0,0]=2 239 B12R1.4 CCC1=CC=C(C=C1)NC(=O)N S639788 [1,0,0,0,0,1|1,0,0]=3 240 B12R1.4 CCC1=CC=C(C=C1)NC(=S)N PH011444 [1,0,0,0,0,1|1,1,0]=4 241 B12R1.4 COC1=CC=C(C=C1)CC(=O)N S580813 [1,0,0,0,0,1|2,0,0]=4 242 B12R1.4 COC1=CC=C(C=C1)NC(=O)N S576751 [1,0,0,0,0,1|2,0,0]=4 243 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [1,0,0,0,0,1|1,0,0]=3 244 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C S390283 [1,0,0,0,0,1|1,0,0]=3 245 B12R1.4 CSC1=CC=C(C=C1)NC(=O)N S892882 [1,0,0,0,0,1|2,0,0]=4 246 B12R1.4 NCC1=CC=C(C=C1)NC(=O)N CDS011984 [1,0,0,0,0,1|2,0,0]=4 247 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [1,0,0,0,0,1|2,0,0]=4 248 B12R1.258 CC(=O)C1=CC=CC(=C1)N(C)C CDS000329 [0,0,0,0,1,1|1,0,0]=3 249 B12R1.258 CC(C)C1=NC(=CC=N1)C(=O)O CBR00061 [0,0,0,0,1,1|2,0,0]=4 250 B12R1.258 CN(C)C1=CC(=CC=N1)C(=O)O CDS002256 [0,0,0,0,1,1|2,0,0]=4 251 B14R1.419 C=C(C)COC1=CC=C(C=C1)C(=O)C OTV000757 [0,0,0,0,0,2|0,0,2]=4 252 B14R1.419 CC(=O)OCC1=CC=C(C=C1)C(C)C S528080 [0,0,0,0,0,2|0,0,0]=2 253 B14R1.419 CC(=O)O[Hg]C1=CC=C(C=C1)N(C)C S881716 [0,0,0,0,0,2|1,0,0]=3 254 B14R1.419 CC(C)C1=CC=C(C=C1)C=CC(=O)O S419648 [0,0,0,0,0,2|1,0,0]=3 255 B14R1.419 CC(C)CC[N+]1=CC=C(C=C1)C(=O)N S400467 [0,0,0,0,0,2|2,0,0]=4 256 B14R1.419 CC(C)NCC1=CC=C(C=C1)N(C)C PH014665 [0,0,0,0,0,2|2,0,0]=4 257 B14R1.419 CN(C)C1=CC=C(C=C1)CCC(=O)O CBR00814 [0,0,0,0,0,2|2,0,0]=4 258 B14R1.805 CC(=O)NC1=CC=C(C=C1)NC(=O)C S669490 [0,0,0,0,0,2|1,0,1]=4 259 B14R1.805 CC(=O)NC1=CC=C(C=C1)OC(=O)C S987220 [0,0,0,0,0,2|1,0,1]=4 260 B14R1.805 CC(=O)NC1=CC=C(C=C1)SC(=O)C S559849 [0,0,0,0,0,2|1,0,1]=4 261 B14R1.805 CC(C)CC1=CC=C(C=C1)CC(=O)O PH009707 [0,0,0,0,0,2|1,0,0]=3