0 B12R1.5 CCC(O)C1=CC=C(C=C1)OC S434906 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.5 CCC1=CC=C(C=C1)/C(=N\O)/N BOG00048 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.5 CCC1=CC=C(C=C1)C(=O)CCl OTV000342 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,0,0,0,0,0|1,1,0]=2 7 B12R1.5 CNC(C)C1=CC=C(C=C1)OC CBR00774 [0,0,0,0,0,0|2,0,1]=3 8 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC S943266 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.5 COC(=O)C1=CC=C(C=C1)SC JRD0440 [0,0,0,0,0,0|0,1,0]=1 10 B12R1.5 COC(=O)C1=CC=C(N=C1)C=O CDS016358 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.5 COC(=O)C1=CC=C(N=C1)OC PH011211 [0,0,0,0,0,0|1,0,0]=1 12 B12R1.5 COC(=O)C1=CN=C(C=C1)CO ADE000411 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.5 COC1=CC=C(C=C1)/C(=N/O)/C PH011538 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.5 COC1=CC=C(C=C1)C(=NO)N PH009929 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,0,0,0,0,0|2,1,0]=3 16 B12R1.5 COC1=CC=C(C=C1)C(N)CF CVT00027 [0,0,0,0,0,0|3,0,1]=4 17 B12R1.5 COC1=CC=C(C=C1)C(O)CN CDS005190 [0,0,0,0,0,0|2,0,2]=4 18 B12R1.5 CSC1=CC=C(C=C1)C(=O)CBr JRD0350 [0,0,0,0,0,0|2,1,0]=3 19 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.5 [C-]#[N+]C1=CC=C(C=C1)C(=O)OC PH015477 [0,0,0,0,0,0|1,0,1]=2 22 B11R1.3 C#CC1=CC=C(C=C1)C(=O)[O-] CDS000957 [1,0,0,0,0,0|1,0,2]=4 23 B11R1.3 CCC1=CC=C(C=C1)C(=O)N TMT00666 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.3 CCC1=CC=C(C=C1)C(=S)N BOG00041 [1,0,0,0,0,0|2,1,0]=4 25 B11R1.3 CCC1=CC=C(C=C1)C(=S)N OTV000389 [1,0,0,0,0,0|2,1,0]=4 26 B11R1.3 CCC1=CC=C(C=C1)C(C)N CBR00761 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.3 CCC1=CC=C(C=C1)C(C)N OTV000097 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.3 CCC1=CC=C(C=C1)[N+](=O)[O-] R750689 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.3 CCC1=NC=C(C=N1)C(=O)O CBR00401 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.3 CNC1=NC=C(C=N1)C(=O)O CBR00047 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.3 COC1=CC=C(C=C1)C(=N)N CDS006449 [1,0,0,0,0,0|2,0,0]=3 32 B11R1.3 COC1=CC=C(C=C1)[Te](=O)Cl S50289 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.3 COC1=CC=C(C=N1)[N+](=O)[O-] L100137 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.3 COC1=CN=C(C=N1)C(=O)O CDS021112 [1,0,0,0,0,0|2,0,0]=3 35 B11R1.3 COC1=NC=C(C=C1)C(=O)O CDS003134 [1,0,0,0,0,0|1,0,0]=2 36 B11R1.3 CSC1=CC=C(C=C1)C(=S)N BOG00226 [1,0,0,0,0,0|1,2,0]=4 37 B11R1.3 NC(=O)C1=CC=C(C=C1)CBr CDS007483 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr S283436 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.3 O=C(O)C1=CC=C(N=C1)CBr CDS023271 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.3 O=C([O-])C1=CC=C(C=C1)[Hg]O S560510 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.22 C/C(=N\O)/C1=CC=C(C=C1)O PH004057 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [1,0,0,0,0,0|3,0,0]=4 43 B11R1.22 CC1=CC=C(C=C1)/C(=N\O)/C S682802 [1,0,0,0,0,0|3,0,0]=4 44 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.22 CC1=CC=C(C=N1)C(=O)CCl PH019170 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [1,0,0,0,0,0|2,0,1]=4 50 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [1,0,0,0,0,0|2,0,1]=4 51 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [1,0,0,0,0,0|2,0,0]=3 55 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [1,0,0,0,0,0|2,0,0]=3 58 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.22 COC(=O)C1=CN=C(N=C1)N ANV00033 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.22 COC(=O)C1=NC=C(C=N1)C PHB00068 [1,0,0,0,0,0|2,0,0]=3 63 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.22 O/N=C(/O)\C1=CC=C(C=C1)O S566594 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [1,0,0,0,0,0|2,0,0]=3 68 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.83 CCC1=CC=C(C=C1)CNC CDS016027 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.83 CCNC1=CC=C(C=C1)OC PH010476 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.83 CNCC1=CC=C(C=C1)OC CDS003884 [1,0,0,0,0,0|1,0,1]=3 73 B11R1.83 COC1=CC=C(C=C1)/C=N/O PH010671 [1,0,0,0,0,0|2,0,0]=3 74 B11R1.83 COC1=CC=C(C=C1)CON CDS015332 [1,0,0,0,0,0|1,0,1]=3 75 B11R1.83 COC1=CC=C(C=C1)CSC S698008 [1,0,0,0,0,0|0,1,1]=3 76 B11R1.83 COCC1=CC=C(C=C1)OC S866288 [1,0,0,0,0,0|0,0,1]=2 77 B11R1.83 [C-]#[N+]CC1=CC=C(C=C1)OC PH014520 [1,0,0,0,0,0|1,0,2]=4 78 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)C=O CDS022414 [0,1,0,0,0,0|3,0,0]=4 79 B13R1.36 CN(C)C(=O)C1=CC=C(C=C1)CN CBR02275 [0,1,0,0,0,0|3,0,0]=4 80 B13R1.36 COC1=CC=C(C=C1)C(=O)C(C)Br OTV000776 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.36 COC1=CC=C(C=C1)C(=O)N(C)N PH007735 [0,1,0,0,0,0|1,0,0]=2 82 B13R1.36 COC1=CC=C(C=C1)N(C)C(=S)C S512346 [0,1,0,0,0,0|3,0,0]=4 83 B13R1.36 CSC1=CC=C(C=C1)C(=O)C(Br)Br PH002857 [0,1,0,0,0,0|2,1,0]=4 84 B13R1.39 CCC(C#N)C1=CC=C(C=C1)OC S879509 [0,1,0,0,0,0|2,0,1]=4 85 B13R1.95 COC(=O)C1=CC=C(C=C1N)OC CDS022292 [0,1,0,0,0,0|0,0,0]=1 86 B13R1.95 COC(=O)C1=CN=C(N=C1C)SC KOB0007 [0,1,0,0,0,0|2,1,0]=4 87 B13R1.95 COC1=CC=C(C(=C1)F)C(=O)CBr PH015015 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.95 COC1=CC=C(C(=C1)O)C(=O)CCl R462276 [0,1,0,0,0,0|2,0,0]=3 89 B13R1.139 CCC(=O)C1=CC=C(C=C1)N=C=S PH009635 [0,1,0,0,0,0|2,0,1]=4 90 B13R1.139 CCOC1=CC=C(C=C1)C(=O)NN PH010506 [0,1,0,0,0,0|2,0,0]=3 91 B13R1.139 COC(=O)C1=CC=C(C=C1)NC=O PH006846 [0,1,0,0,0,0|1,0,1]=3 92 B13R1.187 CCC(C)(C)C1=CC=C(C=C1)OC S563390 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.187 CNS(=O)(=O)C1=CC=C(C=C1)OC PH005144 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.187 COC1=CC=C(C=C1)S(=O)(=O)NN S172073 [0,1,0,0,0,0|3,0,0]=4 95 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [0,1,0,0,0,0|2,0,0]=3 98 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.452 CCOC(=O)C1=CN=C(C=C1)NN PH018571 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.452 CCOC(=O)C1=NC=C(C=C1)C#N KOB0123 [0,1,0,0,0,0|3,0,0]=4 101 B13R1.452 CNCC(O)C1=CC=C(C=C1)OC PH015261 [0,1,0,0,0,0|1,0,2]=4 102 B13R1.452 COC1=CC=C(C=C1)/C(=C\C#N)/Cl JRD0333 [0,1,0,0,0,0|2,0,1]=4 103 B13R1.452 COC1=CC=C(C=C1)C(=O)/C=C/[O-] S732354 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.452 COC1=CC=C(C=C1)C(N)CCO BBO000755 [0,1,0,0,0,0|2,0,1]=4 106 B13R1.452 CSC1=CC=C(C=C1)C(=O)CC#N JRD0441 [0,1,0,0,0,0|1,1,1]=4 107 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)CCl OTV000348 [0,1,0,0,0,0|3,0,0]=4 108 B13R1.537 CC(C)C1=CC=C(C=C1)C(=O)NN PH011075 [0,1,0,0,0,0|3,0,0]=4 109 B13R1.537 CCC(=O)C1=CC=C(C=C1)C(C)C OTV000602 [0,1,0,0,0,0|2,0,0]=3 110 B13R1.537 CCC(=O)C1=CC=C(C=C1)N(C)C ANV00324 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.537 CCC(=O)C1=CC=C(C=C1)[N+](=O)[O-] L259128 [0,1,0,0,0,0|3,0,0]=4 112 B13R1.537 CN(C)C1=CC=C(C=C1)C(=O)CBr CDS005074 [0,1,0,0,0,0|3,0,0]=4 113 B13R1.537 CNC(=O)C1=CC=C(C=C1)C(=O)O CDS015918 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.537 CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-] R580031 [0,1,0,0,0,0|3,0,0]=4 115 B13R1.537 COC(=O)C1=CC=C(C=C1)N(C)C PH011777 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.537 COC(=O)C1=CC=C(C=N1)B(O)O CDS005468 [0,1,0,0,0,0|3,0,0]=4 117 B13R1.537 COC(=O)C1=CC=C(C=N1)C(=O)O CDS005364 [0,1,0,0,0,0|3,0,0]=4 118 B13R1.3088 CCC(=O)C1=CC(=C(C=C1)OC)C OTV000168 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.3088 CCC(=O)C1=CC=C(C(=C1)N)OC R160083 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.3088 COC(=O)C1=CC(=C(C=C1)OC)Cl T116866 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.3088 COC(=O)C1=CC=C(C(=C1)C)CN PH019556 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.3088 COC1=CC=C(C=C1O)/C(=N/O)/C S80390 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,0,0,1,0,0|2,0,0]=3 124 B13R2.2130 COC1=CC=C2C(=O)NCC2=C1 CDS009260 [0,0,0,1,0,0|1,0,0]=2 125 B13R1.5 C(=O)/C(=C/C1=CC=C(C=C1)OC)/C S941565 [0,0,0,0,0,1|3,0,0]=4 126 B13R1.5 C=CC1=CC=C(C=C1)CC(=O)OC PH008533 [0,0,0,0,0,1|1,0,1]=3 127 B13R1.5 CCC(=O)NC1=CC=C(C=C1)C#N EME00296 [0,0,0,0,0,1|3,0,0]=4 128 B13R1.5 CCC(=O)NC1=CC=C(C=C1)OC R131504 [0,0,0,0,0,1|1,0,0]=2 129 B13R1.5 CCC(=O)OC1=CC=C(C=C1)C=O PH015230 [0,0,0,0,0,1|3,0,0]=4 130 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S188816 [0,0,0,0,0,1|3,0,0]=4 131 B13R1.5 CCC1=CC=C(C=C1)NC(=O)CCl S678600 [0,0,0,0,0,1|3,0,0]=4 132 B13R1.5 CNC(=O)NC1=CC=C(C=C1)OC S623644 [0,0,0,0,0,1|1,0,0]=2 133 B13R1.5 CNC(=O)OC1=CC=C(C=C1)SC S791954 [0,0,0,0,0,1|1,1,0]=3 134 B13R1.5 CNC(=S)NC1=CC=C(C=C1)OC PH010048 [0,0,0,0,0,1|1,1,0]=3 135 B13R1.5 COC(=O)NC1=CC=C(C=C1)OC S640476 [0,0,0,0,0,1|0,0,0]=1 136 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S188832 [0,0,0,0,0,1|2,0,0]=3 137 B13R1.5 COC1=CC=C(C=C1)NC(=O)CCl S380121 [0,0,0,0,0,1|2,0,0]=3 138 B13R1.5 COC1=CC=C(C=C1)NC(=O)NO S649694 [0,0,0,0,0,1|2,0,0]=3 139 B13R1.5 COC1=CC=C(C=C1)NC(=S)NN S542741 [0,0,0,0,0,1|2,1,0]=4 140 B13R1.5 COC1=CC=C(C=C1)OC(=O)CCl PH008790 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.3 C(=O)C1=CN=C(N=C1)OC CDS007915 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.3 CNC1=CC=C(C=C1)N=O S396362 [2,0,0,0,0,0|2,0,0]=4 143 B10R1.3 COC1=CC=C(C=C1)[Hg]Cl S881198 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.3 NCC1=CC=C(C=C1)C=O PH018701 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.13 C=C(C)C1=CC=C(C=C1)F CDS001211 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.13 CC(=O)C1=CC=C(C=N1)C CBR02273 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.13 CC(=O)C1=CC=C(N=C1)Cl CDS007858 [2,0,0,0,0,0|2,0,0]=4 148 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [2,0,0,0,0,0|1,0,0]=3 149 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [2,0,0,0,0,0|2,0,0]=4 150 B10R1.13 CC1=CC=C(C=C1)S(=O)O T212016 [2,0,0,0,0,0|1,0,0]=3 151 B10R1.13 CC1=CC=C(N=C1)C(=O)O CDS015362 [2,0,0,0,0,0|1,0,0]=3 152 B10R1.13 CC1=CC=C(N=N1)C(=O)O CDS023095 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.13 CC1=NC=C(C=N1)C(=O)O CBR01580 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.13 CC1C=CC(C=C1)C(=O)O T167762 [2,0,0,0,0,0|0,0,2]=4 155 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [2,0,0,0,0,0|2,0,0]=4 160 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [2,0,0,0,0,0|1,1,0]=4 161 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.13 O=C(O)C1=CC=C(C=N1)Cl CDS003151 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.13 O=C(O)C1=CC=C(C=N1)O CDS004398 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.1 CC1=CC=C(C=C1)/C=N/O S907154 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.1 COCC1=CC=C(C=C1)O S392596 [2,0,0,0,0,0|0,0,1]=3 170 B10R1.1 O/N=C/C1=CC=C(C=C1)O PH010937 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [2,0,0,0,0,0|0,0,2]=4 172 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [2,0,0,0,0,0|0,1,0]=3 175 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [2,0,0,0,0,0|2,0,0]=4 178 B12R1.6 CCC1=CC=C(C=C1)P(=O)(O)O S915955 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.6 CNC1=CC=C(C=C1)S(=O)(=O)O R435244 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.6 COC1=CC=C(C=C1)C(C)(C)N OTV000616 [1,1,0,0,0,0|1,0,1]=4 181 B12R1.6 COC1=CC=C(C=C1)P(=O)(O)O S545821 [1,1,0,0,0,0|1,0,0]=3 182 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)C S454737 [1,1,0,0,0,0|1,0,0]=3 183 B12R1.6 COC1=CC=C(C=C1)S(=O)(=O)[S-] S47830 [1,1,0,0,0,0|1,0,1]=4 184 B12R1.48 CC1=CC(=CC=C1C#N)C(=O)O CDS021252 [1,1,0,0,0,0|2,0,0]=4 185 B12R1.48 COC1=C(C=C(C=C1)C(=O)C)N PH011636 [1,1,0,0,0,0|0,0,0]=2 186 B12R1.48 COC1=C(C=C(C=C1)C(=O)O)Br S561681 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.48 COC1=C(C=C(C=C1)C(=S)N)Br OTV000260 [1,1,0,0,0,0|1,1,0]=4 188 B12R1.48 COC1=C(C=C(N=C1)C(=O)O)O CBR02407 [1,1,0,0,0,0|1,0,0]=3 189 B12R1.48 COC1=CC=C(C=C1C)C(=O)O CDS002965 [1,1,0,0,0,0|0,0,0]=2 190 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)N L480983 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.48 COC1=CC=C(C=C1Cl)S(=O)[O-] S812595 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.48 COC1=CC=C(C=C1Cl)[N+](=O)[O-] PH010986 [1,1,0,0,0,0|1,0,1]=4 193 B12R1.48 COC1=CC=C(C=C1I)[N+](=O)[O-] S362816 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.48 COC1=CC=C(C=C1O)B(O)O CDS019414 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.48 COC1=CC=C(C=C1[O-])[N+](=O)[O-] CDS013563 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.48 N#CC1=CC=C(C=C1Br)C(=O)O CDS004195 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.113 C=CCC1=CC=C(C=C1)C(=O)O CDS019298 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.113 CC(=O)C1=CC=C(C=C1)CC#N PH016847 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.113 CC(=O)C1=CC=C(C=C1)N=[N+]=[N-] CDS003883 [1,1,0,0,0,0|2,0,0]=4 200 B12R1.113 CC(=O)C1=CC=C(C=C1)NC=O S921378 [1,1,0,0,0,0|1,0,1]=4 201 B12R1.113 CCOC1=CC=C(C=C1)C(=S)N VBP00035 [1,1,0,0,0,0|1,1,0]=4 202 B12R1.113 CCOC1=CC=C(C=N1)C(=O)O CDS010146 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.113 COCC1=CC=C(C=C1)C(=O)O CDS015439 [1,1,0,0,0,0|0,0,0]=2 204 B12R1.113 COCC1=CC=C(C=C1)[N+](=O)[O-] S648310 [1,1,0,0,0,0|1,0,1]=4 205 B12R1.113 CS(=O)C1=CC=C(C=C1)CCO S324078 [1,1,0,0,0,0|2,0,0]=4 206 B12R1.113 CSCC1=CC=C(C=C1)C(=O)O OTV000788 [1,1,0,0,0,0|0,1,0]=3 207 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)N ANV00310 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CDS001469 [1,1,0,0,0,0|1,0,0]=3 209 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)N PH013768 [1,1,0,0,0,0|1,0,0]=3 210 B12R1.256 CC(=O)C1=CC=C(C=C1)N(C)C CDS000325 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.256 CC(Br)C1=CC=C(C=C1)C(=O)O S621269 [1,1,0,0,0,0|1,0,0]=3 212 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)N EME00441 [1,1,0,0,0,0|2,0,0]=4 213 B12R1.256 CN(C)C1=NC=C(C=C1)C(=O)O CBR01958 [1,1,0,0,0,0|2,0,0]=4 214 B12R1.256 NC(=O)C1=CC=C(C=C1)C(=O)O CDS004491 [1,1,0,0,0,0|2,0,0]=4 215 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] S175684 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.452 COC1=CC(=C(C=C1)C(=O)C)C T277045 [1,1,0,0,0,0|0,0,0]=2 217 B12R1.452 COC1=CC=C(C(=C1)Cl)B(O)O BML00253 [1,1,0,0,0,0|1,0,1]=4 218 B12R1.452 COC1=CC=C(C(=C1)F)B(O)O ANV00229 [1,1,0,0,0,0|1,0,1]=4 219 B12R1.452 COC1=CC=C(C(=C1)I)[N+](=O)[O-] ANV00227 [1,1,0,0,0,0|1,0,1]=4 220 B12R1.452 COC1=CC=C(C(=C1)N)C(=O)N BBO000417 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.452 COC1=CC=C(C(=C1)O)C(=O)N CDS013828 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.452 COC1=CC=C(C(=N1)Cl)C(=O)O ADE000607 [1,1,0,0,0,0|1,0,0]=3 223 B12R1.9 CC1=CC=C(C=C1)S(=O)(=O)O[TlH2] S826154 [1,1,0,0,0,0|2,0,0]=4 224 B12R1.9 CSS(=O)(=O)C1=CC=C(C=C1)C S765090 [1,1,0,0,0,0|1,1,0]=4 225 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [1,1,0,0,0,0|2,0,0]=4 227 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [1,1,0,0,0,0|2,0,0]=4 229 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [1,1,0,0,0,0|2,0,0]=4 230 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [1,1,0,0,0,0|2,0,0]=4 231 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,1,0,0,0,0|1,0,0]=3 232 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.20 CC(Cl)C(=O)C1=CC=C(C=C1)F PH015115 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)Br OTV000292 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.20 CC1=CC=C(C=C1)C(=O)C(C)C S732516 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.367 CC1=C(C=C(C=C1)C(=O)CCl)C OTV000344 [1,1,0,0,0,0|2,0,0]=4 248 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [1,1,0,0,0,0|2,0,0]=4 249 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [1,1,0,0,0,0|1,0,0]=3 251 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [1,1,0,0,0,0|1,0,0]=3 252 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [1,1,0,0,0,0|2,0,0]=4 253 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [1,1,0,0,0,0|2,0,0]=4 254 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [1,1,0,0,0,0|0,0,0]=2 255 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [1,1,0,0,0,0|0,0,0]=2 257 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [1,1,0,0,0,0|0,0,0]=2 259 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C S954683 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [1,1,0,0,0,0|2,0,0]=4 262 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [1,1,0,0,0,0|2,0,0]=4 263 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PH010309 [1,1,0,0,0,0|2,0,0]=4 264 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [1,1,0,0,0,0|2,0,0]=4 265 B12R1.1703 CC1=CC=C(C(=C1)C)C(=O)CCl OTV000341 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [1,1,0,0,0,0|2,0,0]=4 267 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [1,1,0,0,0,0|2,0,0]=4 268 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [1,1,0,0,0,0|2,0,0]=4 271 B12R1.1703 COC(=O)C1=C(C=C(C=C1)C)C EME00062 [1,1,0,0,0,0|0,0,0]=2 272 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PH009694 [1,1,0,0,0,0|1,0,0]=3 273 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.1703 COC(=O)C1=CC=C(C=C1N)Br CDS022573 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.1703 COC(=O)C1=CC=C(C=C1N)F CDS023419 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [1,1,0,0,0,0|0,0,0]=2 278 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [1,1,0,0,0,0|1,0,0]=3 279 B12R1.1703 COC(=O)C1=CC=C(N=C1Cl)Br ADE000594 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.1703 COC(=O)C1=NC=C(C=C1F)Br ADE000142 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.1703 COC(=O)C1=NC=C(C=C1N)Br ADE000144 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.4 COC1=CC=C(C=C1)CN(C)N PH007521 [1,1,0,0,0,0|1,0,1]=4 283 B12R1.4 COC1=CC=C(C=C1)NC(C)C PH009967 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [1,1,0,0,0,0|1,0,1]=4 285 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.288 C/C=C\C1=CC(=C(C=C1)OC)N L101028 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CDS009889 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.288 COC1=CC=C(C=C1O)C=NO S600385 [1,1,0,0,0,0|2,0,0]=4 290 B12R1.288 COCC1=CC(=O)C(=CO1)OC L307726 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.288 COCC1=CC=C(C(=N1)Br)OC ADE000221 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.608 CCC1=CC(=C(S1)N)C(=O)OC PH000343 [0,1,0,0,1,0|2,0,0]=4 293 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(C)C R343781 [0,1,0,0,0,1|1,0,0]=3 294 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(Cl)Cl S282790 [0,1,0,0,0,1|2,0,0]=4 295 B14R1.3 COC1=CC=C(C=C1)NC(=O)N(C)C S597627 [0,1,0,0,0,1|1,0,0]=3 296 B14R1.3 COC1=CC=C(C=C1)NC(=S)N(C)C S542784 [0,1,0,0,0,1|1,1,0]=4 297 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CC S890693 [0,1,0,0,0,1|1,0,0]=3 298 B14R1.24 CCOC1=CC=C(C=C1)NC(=O)CCl S359505 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.24 COC(=O)CC1=CC=C(C=C1)CCBr PH016060 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.215 CNS(=O)(=O)OC1=CC=C(C=C1)OC PH008070 [0,1,0,0,0,1|2,0,0]=4 301 B14R1.954 C/C=C/C(=O)NC1=CC=C(C=C1)CC S900893 [0,1,0,0,0,1|2,0,0]=4 302 B14R1.954 CCNC(=O)NC1=CC=C(C=C1)OC S623733 [0,1,0,0,0,1|1,0,0]=3 303 B14R1.954 CCNC(=S)NC1=CC=C(C=C1)OC PH010106 [0,1,0,0,0,1|1,1,0]=4 304 B14R1.954 CCOC(=O)CC1=CC=C(C=C1)OC T162671 [0,1,0,0,0,1|0,0,0]=2 305 B14R1.954 CCOC(=O)NC1=CC=C(C=C1)OC S640514 [0,1,0,0,0,1|0,0,0]=2 306 B14R1.954 CCOC(=O)NC1=NC=C(C=N1)OC S217506 [0,1,0,0,0,1|2,0,0]=4 307 B14R1.954 COC1=CC=C(C=C1)NC(=O)/C=N/O R175781 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.954 COC1=CC=C(C=C1)NC(=O)CC#N PH006860 [0,1,0,0,0,1|1,0,1]=4 309 B14R1.954 COC1=CC=C(C=C1)NC(=O)CCCl L254983 [0,1,0,0,0,1|1,0,0]=3 310 B14R1.2879 CCC(=O)NC1=CC=C(C=C1)C(=O)C S729825 [0,1,0,0,0,1|2,0,0]=4 311 B14R1.2879 CNC(=O)NC1=CC=C(C=C1)C(C)C S282871 [0,1,0,0,0,1|2,0,0]=4 312 B14R1.2879 CNC(=O)OC1=CC=C(C=C1)C(=O)C S855073 [0,1,0,0,0,1|2,0,0]=4 313 B14R1.2879 COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] PH010959 [0,1,0,0,0,1|2,0,0]=4 314 B14R1.3276 CNC(=O)OC1=CC=C(C(=C1)C)SC S725188 [0,1,0,0,0,1|1,1,0]=4 315 B14R1.3276 COC1=C(C=C(C=C1)NC(=O)CCl)Cl TMT00610 [0,1,0,0,0,1|2,0,0]=4 316 B14R1.8 CNC(C(=O)O)C1=CC=C(C=C1)OC CBR00130 [0,2,0,0,0,0|1,0,1]=4 317 B14R1.8 COC1=CC=C(C=C1)C(OC)C(=O)O PH014939 [0,2,0,0,0,0|0,0,1]=3 318 B14R1.102 COC1=CC=C(C(=C1)O)C(=O)C(=O)O R946508 [0,2,0,0,0,0|2,0,0]=4 319 B14R1.141 CCOC1=CC=C(C=C1)C(=O)C(=O)O R262625 [0,2,0,0,0,0|2,0,0]=4 320 B14R1.212 COC1=CC=C(C=C1)C(=O)C(C)(C)O PH007863 [0,2,0,0,0,0|1,0,0]=3 321 B14R1.212 COC1=CC=C(C=C1)C(=O)C(F)(F)F S363308 [0,2,0,0,0,0|2,0,0]=4 322 B14R1.212 CSC1=CC=C(C=C1)C(=O)C(C)(C)C S662038 [0,2,0,0,0,0|1,1,0]=4 323 B14R1.3652 COC1=C(C=C(C=C1)C(=O)C(C)C)C OTV000169 [0,2,0,0,0,0|1,0,0]=3 324 B14R1.6402 CC(C)C(=O)C1=CC=C(C=C1)N(C)C ANV00311 [0,2,0,0,0,0|2,0,0]=4 325 B14R1.487 CCOC1=CC(=C(C=C1)C(=O)NN)O L498122 [0,2,0,0,0,0|2,0,0]=4 326 B14R1.1128 COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F KOB0067 [0,2,0,0,0,0|2,0,0]=4 327 B14R1.1128 COC(=O)C1=CC=C(C=C1Cl)[N+](=O)[O-] S448389 [0,2,0,0,0,0|2,0,0]=4 328 B14R1.2294 COC(=O)C1=C(C=C(C(=C1)Br)OC)O L446718 [0,2,0,0,0,0|0,0,0]=2 329 B14R1.2294 COC(=O)C1=CC(=C(C=C1O)OC)O S748501 [0,2,0,0,0,0|0,0,0]=2 330 B14R1.2334 COC1=CC=C(C(=C1)OC)C(=O)NN PH010952 [0,2,0,0,0,0|2,0,0]=4 331 B14R1.25 C(=O)NC1=CC=C(C=C1)C(=O)OCC S624446 [0,2,0,0,0,0|1,0,1]=4 332 B14R1.25 CCOC(=O)C1=CC=C(C=C1)N=C=S PH011638 [0,2,0,0,0,0|1,0,1]=4 333 B14R1.65 CCCOC1=CC=C(C=C1)C(=O)CC TMT00513 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.65 COC(=O)C1=CC=C(C=C1)CCCN T152439 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.65 COC(=O)C1=CC=C(C=C1)OCC#N EME00020 [0,2,0,0,0,0|0,0,0]=2 336 B14R1.717 CCC(=O)C1=CC=C(C=C1)NC(=O)C S624128 [0,2,0,0,0,0|2,0,0]=4 337 B14R1.717 COC(=O)C1=CC=C(C=C1)CC(=O)C PH016802 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.717 COC(=O)C1=CC=C(C=C1)NC(=O)C PH006900 [0,2,0,0,0,0|1,0,0]=3 339 B14R1.718 CNC(=O)C1=CC=C(C=C1)C(=O)NC S347353 [0,2,0,0,0,0|2,0,0]=4 340 B14R1.718 COC(=O)C1=CC=C(C=C1)/C(=N/O)/N VBP00131 [0,2,0,0,0,0|2,0,0]=4 341 B14R1.718 COC(=O)C1=CC=C(C=C1)C(=O)NN PH018934 [0,2,0,0,0,0|2,0,0]=4 342 B14R1.610 CCOC(=O)C1=CC=C(C=C1)C(Br)Br S373427 [0,2,0,0,0,0|2,0,0]=4 343 B14R1.610 CCOC(=O)C1=CC=[N+](C=C1)C(C)C R152072 [0,2,0,0,0,0|2,0,0]=4 344 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)CC CDS024023 [0,2,0,0,0,0|2,0,0]=4 345 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC S369608 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.926 COC1=CC=C(C=C1)C(=O)CCC#N S935204 [0,2,0,0,0,0|1,0,0]=3 347 B14R1.926 COC1=CC=C(C=C1)C(=O)CN=[N+]=[N-] CDS006820 [0,2,0,0,0,0|2,0,0]=4 348 B14R1.926 COC1=CC=C(C=C1)C(=O)CSC#N JRD0343 [0,2,0,0,0,0|0,1,1]=4 349 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO R644366 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)C EME00021 [0,2,0,0,0,0|0,1,0]=3 351 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl CDS014869 [0,2,0,0,0,0|1,1,0]=4 352 B14R1.719 COC(=O)C1=CC=C(C=C1)S(=O)(=O)N PH000416 [0,2,0,0,0,0|1,1,0]=4 353 B14R1.747 COC(=O)C1=CC=C(C(=C1)C)[N+](=O)[O-] S374652 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.747 COC(=O)C1=CC=C(C(=C1)F)[N+](=O)[O-] CDS003624 [0,2,0,0,0,0|2,0,0]=4 355 B14R1.747 COC(=O)C1=CC=C(C(=C1)O)[N+](=O)[O-] S369748 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.1864 COC(=O)C1=CC(=C(C=C1)CBr)CBr L158194 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.1864 COC(=O)C1=CC(=C(C=C1)OC)CCl PH014453 [0,2,0,0,0,0|0,0,0]=2 358 B14R1.1864 COC(=O)C1=NC(=C(C=C1)OC)OC ADE000583 [0,2,0,0,0,0|1,0,0]=3 359 B14R1.12512 COC(=O)C1=CC(=C(C(=C1)O)OC)O PH005039 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.24 COC(=O)C1=C(C(=CC=C1)C)N CDS022209 [0,0,1,1,0,0|2,0,0]=4 361 B12R1.24 COC(=O)C1=CC=CC(=C1O)C S378143 [0,0,1,1,0,0|2,0,0]=4 362 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [1,0,0,1,0,0|1,0,0]=3 363 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [1,0,0,1,0,0|1,1,0]=4 364 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [1,0,0,1,0,0|2,0,0]=4 365 B12R2.44 COC1=CC=C2NCCC2=C1 CDS015727 [1,0,0,1,0,0|2,0,0]=4 366 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O L259179 [0,0,0,1,0,1|2,0,0]=4 367 B14R2.329 CCC1=CC=C(C=C1)C(=O)C2CC2 S345199 [0,1,0,1,0,0|2,0,0]=4 368 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 OTV000973 [0,1,0,1,0,0|2,0,0]=4 369 B14R2.1815 N1C(=C(C2=C1C=C(C=C2)OC)C)C S955485 [0,1,0,1,0,0|2,0,0]=4 370 B14R2.1 COC1=CC=C(C=C1)C2=CC=NO2 JRD0099 [0,1,0,1,0,0|1,0,1]=4 371 B14R2.1 COC1=CC=C(C=C1)C2=NCCC2 PH009769 [0,1,0,1,0,0|2,0,0]=4 372 B14R2.1 COC1=CC=C(C=C1)C2=NCCS2 T149535 [0,1,0,1,0,0|1,1,0]=4 373 B14R2.1 COC1=CC=C(C=C1)C2=NN=CO2 R162434 [0,1,0,1,0,0|1,0,1]=4 374 B14R2.1 COC1=CC=C(C=C1)C2=NOC=C2 JRD0167 [0,1,0,1,0,0|1,0,1]=4 375 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCO2 L170100 [0,1,0,1,0,0|1,0,0]=3 376 B14R2.1801 COC1=CC=C2C(=O)CCSC2=C1 T313564 [0,1,0,1,0,0|1,0,0]=3 377 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 OTV000443 [0,1,0,1,0,0|1,0,1]=4 378 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CDS001550 [0,1,0,1,0,0|1,0,0]=3 379 B14R2.966 CNC(=O)C1=CC2=C(C=C1)OCO2 L170704 [0,1,0,1,0,0|1,0,0]=3 380 B14R2.966 CNC(=O)C1=CC=C2OCCC2=C1 T309532 [0,1,0,1,0,0|1,0,0]=3 381 B14R2.966 COC(=O)C1=CC=C2C=NNC2=C1 SYX00165 [0,1,0,1,0,0|2,0,0]=4 382 B14R2.966 COC(=O)C1=CC=C2CSCC2=C1 PH017213 [0,1,0,1,0,0|0,1,0]=3 383 B14R2.966 COC(=O)C1=CC=C2NN=CC2=C1 CVT00048 [0,1,0,1,0,0|1,0,1]=4 384 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 S696773 [0,1,0,1,0,0|0,0,0]=2 385 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCO2 PH015476 [0,1,0,1,0,0|2,0,0]=4 386 B14R2.5719 O=C(O)C1=CC=C2C(=O)OCC2=C1 CDS014604 [0,1,0,1,0,0|2,0,0]=4 387 B14R2.1416 COC1=CC2=C(C=C1O)C(=O)CC2 PH009886 [0,1,0,1,0,0|1,0,0]=3 388 B10R1.31 CCC1=CC=C(O1)C(=O)O CDS002389 [1,0,0,0,1,0|2,0,0]=4 389 B10R1.31 CCC1=CC=C(S1)C(=O)O CDS012603 [1,0,0,0,1,0|2,0,0]=4 390 B10R1.31 COC1=NOC(=C1)C(=O)O CDS005261 [1,0,0,0,1,0|2,0,0]=4 391 B10R1.31 CSC1=CC=C(S1)C(=O)O CDS017426 [1,0,0,0,1,0|1,1,0]=4 392 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [1,0,0,0,1,0|2,0,0]=4 393 B10R1.14 COC(=O)C1=CC(=CS1)Br CDS005911 [1,0,0,0,1,0|2,0,0]=4 394 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [1,0,0,0,1,0|2,0,0]=4 395 B10R1.14 COC(=O)C1=CSC(=N1)C SYX00285 [1,0,0,0,1,0|2,0,0]=4 396 B10R1.14 COC(=O)C1=NOC(=C1)C EME00018 [1,0,0,0,1,0|2,0,0]=4 397 B12R0.156 COC(=O)/C=C/C=C(\C)/C(=O)OC S881775 [0,0,1,0,0,1|1,0,1]=4 398 B12R1.1891 COC1=CC=C(CC=C1)C(=O)O L168424 [1,0,0,0,0,1|0,0,0]=2 399 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S278947 [1,0,0,0,0,1|2,0,0]=4 400 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl S390305 [1,0,0,0,0,1|2,0,0]=4 401 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [1,0,0,0,0,1|2,0,0]=4 402 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [1,0,0,0,0,1|1,0,0]=3 403 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [1,0,0,0,0,1|2,0,0]=4 404 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [1,0,0,0,0,1|2,0,0]=4 405 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [1,0,0,0,0,1|2,0,0]=4 406 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [1,0,0,0,0,1|2,0,0]=4 407 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [1,0,0,0,0,1|2,0,0]=4 408 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [1,0,0,0,0,1|1,0,0]=3 409 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [1,0,0,0,0,1|2,0,0]=4 410 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [1,0,0,0,0,1|2,0,0]=4 411 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [1,0,0,0,0,1|2,0,0]=4 412 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [1,0,0,0,0,1|2,0,0]=4 413 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [1,0,0,0,0,1|2,0,0]=4 414 B12R1.49 CNC(=S)NC1=CC=C(C=C1)C PH010042 [1,0,0,0,0,1|1,1,0]=4 415 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [1,0,0,0,0,1|1,0,0]=3 416 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [1,0,0,0,0,1|1,0,0]=3 417 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [1,0,0,0,0,1|1,0,0]=3 418 B12R1.49 COC(=O)CC1=CC=C(C=N1)Br PHB00159 [1,0,0,0,0,1|2,0,0]=4 419 B12R1.49 COC(=O)C[N+]1=CC=C(C=C1)C S225843 [1,0,0,0,0,1|1,0,0]=3 420 B12R1.49 COC(=O)NC1=CC=C(C=C1)Br S667692 [1,0,0,0,0,1|1,0,0]=3 421 B12R1.49 COC(=O)NC1=CC=C(C=C1)C S612707 [1,0,0,0,0,1|0,0,0]=2 422 B12R1.49 O=C(CCl)NC1=CC=C(C=C1)O T304573 [1,0,0,0,0,1|2,0,0]=4 423 B12R1.435 COC(=O)C1=CC(=CC=C1)CN CDS003045 [0,0,0,0,1,1|2,0,0]=4 424 B12R1.435 COC(=O)C1=CC=CC(=C1)CCl S881988 [0,0,0,0,1,1|2,0,0]=4 425 B12R1.435 COC(=O)C1=NC=CC(=C1)OC ADE000350 [0,0,0,0,1,1|0,0,0]=2 426 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,0,0,0,1,1|2,0,0]=4 427 B12R1.435 COC1=CC=CC(=C1)C(=O)C=O PH017741 [0,0,0,0,1,1|2,0,0]=4 428 B14R1.5 C(=O)C1=CC=C(C=C1)C#CC(=O)OC T303992 [0,0,0,0,0,2|2,0,0]=4 429 B14R1.5 CCC(=O)NCC1=CC=C(C=C1)OC R343323 [0,0,0,0,0,2|1,0,0]=3 430 B14R1.5 CNC(=O)OCC1=CC=C(C=C1)OC PH009130 [0,0,0,0,0,2|1,0,0]=3 431 B14R1.5 COC(=O)CCC1=CC=C(C=C1)CN CDS000982 [0,0,0,0,0,2|2,0,0]=4 432 B14R1.5 COC(=O)COC1=CC=C(C=C1)C=O EME00181 [0,0,0,0,0,2|2,0,0]=4 433 B14R1.5 COC1=CC=C(C=C1)CCC(=O)NN CDS004132 [0,0,0,0,0,2|2,0,0]=4 434 B14R1.5 COC1=CC=C(C=C1)CNC(=O)CCl R468185 [0,0,0,0,0,2|2,0,0]=4 435 B14R1.5 COC1=CC=C(C=C1)N/N=C(/Cl)\OC S282502 [0,0,0,0,0,2|1,0,0]=3