0 B12R1.286 BrC1=C(C=C(C=C1)CC#N)OC ACS016964 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.189 COC=1C=C(CC#N)C=CC1 ACS013801 [1,0,0,0,0,0|1,0,1]=3 2 B11R1.189 COC=1C=C(CCN)C=CC1 ACS014041 [1,0,0,0,0,0|1,0,1]=3 3 B11R1.192 C1=CC(=C(C=C1CCO)O)O ACS023963 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.280 BrC1=C(C=C(C#N)C=C1)OC ACS017136 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.280 BrC1=C(C=C(C=C1)OC)OC ACS012536 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.280 C(C)C=1C=C(C=O)C=CC1O ACS017576 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.280 COC=1C=C(C#N)C=CC1C ACS013635 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.280 ClC1=C(C=C(C=O)C=C1)OC ACS014206 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.280 FC1=C(C=C(C#N)C=C1)OC ACF016723 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 FC1=C(C=C(C=N1)C=O)OC ACF023289 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.280 FC1=C(C=C(C=O)C=C1)OC ACF022679 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.280 FC1=C(C=C(CBr)C=C1)OC ACF016833 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 FC1=C(C=C(CN)C=C1)OC ACF016899 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 FC1=C(C=C(CO)C=C1)OC ACF016832 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.280 NC1=C(C=C(C#N)C=C1)OC ACS016654 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 OC1=C(C=C(C#N)C=C1)OC ACS013625 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.280 OC1=C(C=C(C=O)C=C1)OC ACS014278 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.280 OC1=C(C=C(CN)C=C1)OC ACS011035 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.52 FC1=C(C=C(C=C1)CC(=O)O)OC ACF012960 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.52 OC1=C(C=C(C=C1)CC(=O)O)OC ACS016993 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.52 OC1=C(C=C(C=C1)CC(C)=O)OC ACS015852 [0,1,0,0,0,0|0,0,1]=2 22 B13R1.386 COC=1C=C(C=CC1OC)CC#N ACS011967 [0,1,0,0,0,0|1,0,1]=3 23 B13R1.575 OC1=C(C=C(C=C1)CCCO)OC ACS020911 [0,1,0,0,0,0|0,0,2]=3 24 B13R2.449 C1OC=2C=C(CC#N)C=CC2O1 ACS013803 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.449 c1cc2c(cc1N=C=O)OCO2 ACS014104 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.599 FC1=C(C=C2C=CNC2=C1)OC ACF021699 [0,0,0,1,0,0|2,0,1]=4 27 B13R2.599 FC=1C(=CC2=C(NC=N2)C1)OC ACF022021 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.599 FC=1C=C2C(=NC1OC)NC=C2 ACF021974 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.599 FC=1C=C2C=CNC2=CC1OC ACF022124 [0,0,0,1,0,0|2,0,0]=3 30 B10R1.10 CC=1C=C(C=CC1)CCO ACS013751 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.10 CNCC=1C=C(C=CC1)O ACS023966 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.172 C(C)C=1C=C(C=O)C=CC1 ACS010441 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.172 COC1=CC(=CC=C1)OC ACS014738 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.172 COC1=CC(=NC=C1)C=O ACS019211 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.172 COC1=CC(=NC=C1)CN ACS018858 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.172 COC1=CC(=NC=C1)CN ACS020540 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.172 COC=1C=C(CN)C=CC1 ACS013859 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.176 BrC1=C(C=C(C=O)C=C1)O ACS014166 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 BrC1=C(C=C(CO)C=C1)O ACS013676 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 BrC=1C=C(C=O)C=CC1O ACS010534 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.176 C(C)C=1C=C(C(=CC1)O)O ACS017580 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.176 CC=1C=C(C=O)C=CC1C ACS014250 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.176 CC=1C=C(CO)C=CC1C ACS013701 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.176 COC=1C=C(C(=CC1)O)O ACS019057 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.176 ClC1=C(C=C(C=C1)CC)O ACS020386 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.176 ClC1=C(C=C(C=O)C=C1)C ACS016183 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.176 ClC1=C(C=C(C=O)C=C1)O ACS014201 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.176 FC1=C(C=C(C=O)C=C1)C ACF014265 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.176 FC1=C(C=C(C=O)C=C1)O ACF014259 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.176 FC1=C(C=C(CN)C=C1)C ACF013853 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.176 FC=1C=C(C=C)C=CC1F ACF015051 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.176 FC=1C=C(C=O)C=CC1O ACF010141 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.176 NC1=C(C=CC(=C1)CC)O ACS019202 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.176 OC1=C(C=C(C=O)C=C1)C ACS016212 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.176 OC1=NC=C(C=O)C=C1C ACS018883 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.176 OC=1C=C(C#N)C=CC1O ACS010454 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.176 OC=1C=C(C=O)C=CC1C ACS014282 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.176 OC=1C=C(C=O)C=CC1O ACS011124 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.30 BrC1=C(C=C(C=C1)Br)OC ACS010784 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.30 BrC1=C(C=C(C=C1)C)OC ACS010601 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC ACS014647 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.30 BrC1=C(C=C(C=C1)F)OC ACF014661 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.30 BrC1=C(C=C(C=C1)I)OC ACS014668 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.30 BrC1=C(C=C(C=C1)O)OC ACS012588 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 BrC1=C(C=C(N)C=C1)OC ACS010537 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.30 BrC1=CC(=C(C=C1)O)OC ACS014359 [2,0,0,0,0,0|1,0,0]=3 67 B10R1.30 BrC1=CC(=C(N)C=C1)OC ACS010302 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.30 BrC=1C(=NC(=CC1)C)OC ACS011111 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.30 BrC=1C=CC(=C(C1)OC)Cl ACS014652 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.30 BrC=1C=CC(=C(C1)OC)I ACS014670 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.30 C(C)C1=NC(=CC=C1O)C ACS015213 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.30 C(C)C1=NC(=CC=C1O)C ACS015214 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.30 COC1=C(C=CC(=C1)O)O ACS014477 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.30 COC=1C=C(N)C=CC1C ACS013979 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.30 ClC1=C(C=C(C=C1)Cl)OC ACS014697 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.30 ClC1=C(C=C(C=C1)F)OC ACF014686 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.30 ClC1=C(C=C(C=C1)I)OC ACS010773 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.30 ClC1=C(C=C(C=C1)O)OC ACS017586 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.30 ClC1=C(C=C(N)C=C1)OC ACS013918 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.30 ClC1=CC(=C(C=C1)O)OC ACS014384 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.30 ClC=1C=CC(=C(C1)OC)C ACS014691 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 ClC=1C=CC(=C(C1)OC)I ACS010775 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.30 FC1=C(C=C(C=C1)F)OC ACF014700 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 FC1=C(C=C(C=C1)O)OC ACF011629 [2,0,0,0,0,0|2,0,0]=4 85 B10R1.30 FC1=C(C=C(N)C=C1)OC ACF013965 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 FC1=CC(=C(C=C1)O)OC ACF014433 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.30 FC1=CC(=C(N)C=C1)OC ACF013964 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.30 FC=1C=CC(=C(C1)OC)I ACF014712 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 IC1=C(C=C(C=C1)I)OC ACS018838 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.30 IC1=CC(=C(C=C1)O)OC ACS014442 [2,0,0,0,0,0|1,0,0]=3 91 B10R1.30 IC1=CC(=C(N)C=C1)OC ACS012129 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.30 NC1=C(C=C(C=C1)C)OC ACS016047 [2,0,0,0,0,0|1,0,0]=3 93 B10R1.30 NC1=CC(=C(C=C1)O)OC ACS014328 [2,0,0,0,0,0|1,0,0]=3 94 B10R1.30 NC1=CC(=C(C=C1)O)OC ACS018927 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.30 NC=1C(=NC(=CC1)C)OC ACS010082 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 OC1=C(C#N)C=C(C=C1)C ACS018870 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 OC1=C(C=O)C=C(C=C1)C ACS014281 [2,0,0,0,0,0|2,0,0]=4 98 B12R1.270 FC1=C(C=C(C=C1)OC)CC#N ACF016986 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.438 COC=1C=C(C=CC1)CC(=O)O ACS012982 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.438 COC=1C=C(C=CC1)CC(C)=O ACS015876 [1,1,0,0,0,0|0,0,1]=3 101 B12R1.19 BrC1=C(C=C(C=C1)CC(=O)O)C ACS012926 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.19 BrC=1C=C(C=CC1O)CC(=O)O ACS012920 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.19 CC=1C=C(C=CC1C)CC(=O)O ACS012245 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.19 FC=1C=C(C=CC1O)CC(=O)O ACF012957 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.288 NCCC=1C=CC(=C(C1)O)OC ACS011929 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.56 BrC1=C(C=C(C(=O)O)C=C1)OC ACS013099 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.56 CC(=O)c1ccc(c(c1)OC)F ACF015845 [1,1,0,0,0,0|1,0,1]=4 108 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O ACS014444 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.56 FC1=C(C=C(C(=O)O)C=C1)OC ACF013196 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.56 NC1=C(C=C(C(=O)O)C=C1)OC ACS013057 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.56 OC1=C(C=C(C=C1)B(O)O)OC ACS019424 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.56 OC1=C(C=C(C=C1)C(C)=O)OC ACS014577 [1,1,0,0,0,0|0,0,1]=3 113 B12R1.78 COC1=C(CO)C=CC(=C1)OC ACS013696 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.78 COC=1C=C(C#N)C=CC1OC ACS013586 [1,1,0,0,0,0|1,0,1]=4 115 B12R1.78 COC=1C=C(C=CC1OC)CO ACS024390 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.300 ClC=1C=C(C=O)C=C(C1O)OC ACS014203 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.300 FC=1C=C(C=O)C=C(C1O)OC ACF011345 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.449 BrC1=C(C=O)C=C(C(=C1)O)OC ACS014168 [1,1,0,0,0,0|1,0,0]=3 119 B14R1.42 OC1=C(C=C(C=C1)C=CC(C)=O)OC ACS015627 [0,2,0,0,0,0|0,0,1]=3 120 B12R2.44 COC1=CC2=C(C=CO2)C=C1 ACS019323 [1,0,0,1,0,0|1,0,0]=3 121 B12R2.44 COC1=CC=C2C=CNC2=C1 ACS010214 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.44 COC=1C=CC2=C(SC=C2)C1 ACS019318 [1,0,0,1,0,0|1,0,0]=3 123 B12R2.315 COC1=C2CNCC2=CC=C1 ACS020109 [1,0,0,1,0,0|1,0,1]=4 124 B12R2.100 FC1=C(C=C2C=CNC2=C1)O ACF022125 [1,0,0,1,0,0|2,0,0]=4 125 B14R2.1008 c1cc2c(cc1CC(=O)O)OCO2 ACS012983 [0,1,0,1,0,0|1,0,0]=3 126 B14R2.1238 COC1=C2C=CNC2=CC=C1OC ACS020551 [0,1,0,1,0,0|1,0,0]=3