0 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,0,0,0,0,0|1,0,1]=2 1 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [0,0,0,0,0,0|3,0,1]=4 5 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,0,0,0|4,0,0]=4 8 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,0,0,0,0,0|4,0,0]=4 11 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,0,0,0|1,0,0]=1 13 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,0,0,0|3,0,1]=4 15 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,0,0,0|2,0,0]=2 17 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,0,0,0,0,0|2,0,0]=2 18 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,0,0,0,0,0|2,0,1]=3 21 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,0,0,0,0,0|2,0,1]=3 23 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,0,0,0,0,0|2,0,1]=3 24 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,0,0,0|1,0,0]=1 25 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,0,0,0,0,0|3,0,0]=3 26 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,0,0,0,0,0|3,0,0]=3 27 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,0,0,0,0,0|3,0,1]=4 28 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [0,0,0,0,0,0|4,0,0]=4 29 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [0,0,0,0,0,0|4,0,0]=4 31 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [0,0,0,0,0,0|4,0,0]=4 35 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [0,0,0,0,0,0|3,1,0]=4 36 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,0,0,0|2,0,0]=2 37 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,0,0,0|2,0,0]=2 38 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [1,0,0,0,0,0|2,0,1]=4 39 B10R2.7 c1cc2c(cco2)nc1 PB26741 [1,0,0,0,0,0|3,0,0]=4 40 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [1,0,0,0,0,0|3,0,0]=4 41 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [1,0,0,0,0,0|2,0,1]=4 42 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,0,0,0|3,0,0]=4 43 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [1,0,0,0,0,0|1,0,1]=3 44 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [1,0,0,0,0,0|2,0,0]=3 45 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [1,0,0,0,0,0|3,0,0]=4 46 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [1,0,0,0,0,0|3,0,0]=4 47 B10R2.7 c1ccn2cccc2c1 AB01491 [1,0,0,0,0,0|2,0,1]=4 48 B10R2.7 c1ccn2cncc2c1 AB14043 [1,0,0,0,0,0|2,0,1]=4 49 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,0,0,0|3,0,0]=4 50 B10R2.7 c1cncc2=NCC=c21 PB21773 [1,0,0,0,0,0|3,0,0]=4 51 B10R2.7 c1cncc2c1CNC2 AB30511 [1,0,0,0,0,0|2,0,1]=4 52 B10R2.7 c1cncc2c1CNC2 PB24193 [1,0,0,0,0,0|2,0,1]=4 53 B10R2.7 c1cncc2c1ccs2 MB02036 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.1 C#CC1=c2ccccc2=NC1 AB06167 [0,1,0,0,0,0|3,0,0]=4 55 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 MB10044 [0,1,0,0,0,0|2,0,1]=4 56 B12R2.1 C1=CC2C(=NN=C2C=O)C=C1 PB29329 [0,1,0,0,0,0|2,0,1]=4 57 B12R2.1 CNC1CCc2c1cccc2 AB49601 [0,1,0,0,0,0|2,0,1]=4 58 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [0,1,0,0,0,0|2,0,1]=4 59 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [0,1,0,0,0,0|2,0,1]=4 60 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,1,0,0,0,0|2,0,0]=3 61 B12R2.1 c1ccn2c(c1)c(cn2)C=O AB28440 [0,1,0,0,0,0|3,0,0]=4 62 B12R2.1 c1ccn2c(c1)ccc2C=O AB60669 [0,1,0,0,0,0|2,0,1]=4 63 B12R2.1 c1ccn2c(c1)cnc2C=O AB48941 [0,1,0,0,0,0|2,0,1]=4 64 B12R2.1 c1ccn2c(c1)ncc2C=O AB42413 [0,1,0,0,0,0|3,0,0]=4 65 B12R2.1 c1ccn2cnc(c2c1)C=O AB28965 [0,1,0,0,0,0|2,0,1]=4 66 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,0,0,0|1,0,0]=2 67 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,1,0,0,0,0|2,0,0]=3 68 B12R2.18 Cn1c(c2ccccc2n1)Br PB35997 [0,1,0,0,0,0|3,0,0]=4 69 B12R2.18 Cn1c(c2ccccc2n1)I PB16519 [0,1,0,0,0,0|3,0,0]=4 70 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [0,1,0,0,0,0|2,0,1]=4 71 B12R2.132 B1(c2cc(ccc2CO1)N)O AB20321 [0,1,0,0,0,0|1,0,1]=3 72 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,1,0,0,0,0|3,0,0]=4 73 B12R2.132 CN1CCc2c1cc(cc2)N AB55966 [0,1,0,0,0,0|3,0,0]=4 74 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.132 Cc1cc2c(cn1)CNC2=O AB76267 [0,1,0,0,0,0|2,0,0]=3 76 B12R2.132 Cc1ccc2c(c1)C(=O)NC2 AB49680 [0,1,0,0,0,0|1,0,0]=2 77 B12R2.132 Cc1ccc2c(c1)C(CC2)N AB38275 [0,1,0,0,0,0|2,0,1]=4 78 B12R2.132 Cc1ccc2c(c1)[C@@H](CC2)N AB29147 [0,1,0,0,0,0|2,0,1]=4 79 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N AB29143 [0,1,0,0,0,0|2,0,1]=4 80 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,0,0,0|2,0,0]=3 82 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,0,0,0|2,0,0]=3 83 B12R2.132 c1c2c(cnc1Br)CNC2=O AB77501 [0,1,0,0,0,0|2,0,0]=3 84 B12R2.132 c1c2c(cnc1Cl)CNC2=O AB77499 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,0,0,0|1,0,0]=2 86 B12R2.132 c1cc2c(cc1Br)C(=O)CN2 AB27760 [0,1,0,0,0,0|2,0,0]=3 87 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.132 c1cc2c(cc1Br)C(=O)NC2 PB29879 [0,1,0,0,0,0|1,0,0]=2 89 B12R2.132 c1cc2c(cc1Br)C(=O)OC2 PB15748 [0,1,0,0,0,0|0,0,0]=1 90 B12R2.132 c1cc2c(cc1Br)C(CC2)N AB38388 [0,1,0,0,0,0|2,0,1]=4 91 B12R2.132 c1cc2c(cc1Br)[C@@H](CC2)N PB13067 [0,1,0,0,0,0|2,0,1]=4 92 B12R2.132 c1cc2c(cc1Br)[C@H](CC2)N PB13072 [0,1,0,0,0,0|2,0,1]=4 93 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [0,1,0,0,0,0|3,0,0]=4 95 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,0,0,0|1,0,0]=2 96 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [0,1,0,0,0,0|2,0,0]=3 97 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,1,0,0,0,0|2,0,0]=3 98 B12R2.132 c1cc2c(cc1Cl)C(=O)NC2 MB05675 [0,1,0,0,0,0|1,0,0]=2 99 B12R2.132 c1cc2c(cc1Cl)C(CC2)N AB38353 [0,1,0,0,0,0|2,0,1]=4 100 B12R2.132 c1cc2c(cc1Cl)[C@@H](CC2)N AB38355 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.132 c1cc2c(cc1Cl)[C@H](CC2)N AB38357 [0,1,0,0,0,0|2,0,1]=4 102 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,1,0,0,0,0|3,0,0]=4 103 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [0,1,0,0,0,0|3,0,0]=4 104 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [0,1,0,0,0,0|3,0,0]=4 105 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,0,0,0|1,0,0]=2 106 B12R2.132 c1cc2c(cc1F)C(=O)NC2 AB51004 [0,1,0,0,0,0|1,0,0]=2 107 B12R2.132 c1cc2c(cc1F)C(CC2)N AB38286 [0,1,0,0,0,0|2,0,1]=4 108 B12R2.132 c1cc2c(cc1F)[C@@H](CC2)N AB07709 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.132 c1cc2c(cc1F)[C@H](CC2)N AB38290 [0,1,0,0,0,0|2,0,1]=4 110 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.132 c1cc2c(cc1I)C(=O)OC2 PB34159 [0,1,0,0,0,0|0,0,0]=1 112 B12R2.132 c1cc2c(cc1N)C(=O)NC2 PB34386 [0,1,0,0,0,0|1,0,0]=2 113 B12R2.132 c1cc2c(cc1N)C(=O)OC2 PB15617 [0,1,0,0,0,0|0,0,0]=1 114 B12R2.132 c1cc2c(cc1O)C(=O)NC2 MB06080 [0,1,0,0,0,0|1,0,0]=2 115 B12R2.132 c1cc2c(cc1O)[C@@H](CC2)N PB30817 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.132 c1cc2c(cc1O)[C@H](CC2)N PB32707 [0,1,0,0,0,0|2,0,1]=4 117 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,1,0,0,0,0|3,0,0]=4 118 B12R2.196 Cc1cccc2c1CCC2N AB38262 [0,1,0,0,0,0|2,0,1]=4 119 B12R2.196 Cc1cccc2c1CC[C@@H]2N AB38266 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.196 Cc1cccc2c1CC[C@H]2N AB38263 [0,1,0,0,0,0|2,0,1]=4 121 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,0,0,0|1,0,0]=2 122 B12R2.196 c1cc2c(c(c1)Br)CCC2N AB38383 [0,1,0,0,0,0|2,0,1]=4 123 B12R2.196 c1cc2c(c(c1)Br)CC[C@@H]2N AB38387 [0,1,0,0,0,0|2,0,1]=4 124 B12R2.196 c1cc2c(c(c1)Br)CC[C@H]2N AB38385 [0,1,0,0,0,0|2,0,1]=4 125 B12R2.196 c1cc2c(c(c1)Br)CNC2=O PB29648 [0,1,0,0,0,0|1,0,0]=2 126 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,0,0,0|1,0,0]=2 127 B12R2.196 c1cc2c(c(c1)Cl)CCC2N AB38335 [0,1,0,0,0,0|2,0,1]=4 128 B12R2.196 c1cc2c(c(c1)Cl)CC[C@@H]2N AB38341 [0,1,0,0,0,0|2,0,1]=4 129 B12R2.196 c1cc2c(c(c1)Cl)CC[C@H]2N AB38338 [0,1,0,0,0,0|2,0,1]=4 130 B12R2.196 c1cc2c(c(c1)Cl)CNC2=O AB51011 [0,1,0,0,0,0|1,0,0]=2 131 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,0,0,0|1,0,0]=2 132 B12R2.196 c1cc2c(c(c1)F)CCC2N AB38279 [0,1,0,0,0,0|2,0,1]=4 133 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N AB38283 [0,1,0,0,0,0|2,0,1]=4 134 B12R2.196 c1cc2c(c(c1)F)CC[C@H]2N AB38282 [0,1,0,0,0,0|2,0,1]=4 135 B12R2.196 c1cc2c(c(c1)F)CNC2=O AB66630 [0,1,0,0,0,0|1,0,0]=2 136 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [0,1,0,0,0,0|2,0,0]=3 137 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,0,0,0|1,0,0]=2 138 B12R2.196 c1cc2c(c(c1)N)CNC2=O PB14554 [0,1,0,0,0,0|1,0,0]=2 139 B12R2.196 c1cc2c(c(c1)O)CNC2=O AB56005 [0,1,0,0,0,0|1,0,0]=2 140 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [0,1,0,0,0,0|2,0,0]=3 141 B12R2.203 c1cc2c(c(c1)Br)C(=O)NC2 AB64823 [0,1,0,0,0,0|1,0,0]=2 142 B12R2.203 c1cc2c(c(c1)Cl)C(=O)NC2 MB07456 [0,1,0,0,0,0|1,0,0]=2 143 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,0,0,0|1,0,0]=2 144 B12R2.203 c1cc2c(c(c1)N)C(=O)NC2 PB34384 [0,1,0,0,0,0|1,0,0]=2 145 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,1,0,0,0,0|1,0,1]=3 146 B12R2.612 CN1CCc2c1ccc(c2)N AB49440 [0,1,0,0,0,0|3,0,0]=4 147 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [0,1,0,0,0,0|3,0,0]=4 148 B12R2.612 Cc1cc2c(cn1)C(=O)NC2 AB76264 [0,1,0,0,0,0|2,0,0]=3 149 B12R2.612 Cc1ccc2c(c1)CCC2N AB38267 [0,1,0,0,0,0|2,0,1]=4 150 B12R2.612 Cc1ccc2c(c1)CC[C@@H]2N AB38272 [0,1,0,0,0,0|2,0,1]=4 151 B12R2.612 Cc1ccc2c(c1)CC[C@H]2N AB38268 [0,1,0,0,0,0|2,0,1]=4 152 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,1,0,0,0,0|1,0,0]=2 153 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [0,1,0,0,0,0|3,0,0]=4 154 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,1,0,0,0,0|3,0,0]=4 155 B12R2.612 c1c2c(cnc1Br)C(=O)NC2 AB77325 [0,1,0,0,0,0|2,0,0]=3 156 B12R2.612 c1c2c(cnc1Cl)C(=O)NC2 AB77327 [0,1,0,0,0,0|2,0,0]=3 157 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,1,0,0,0,0|1,0,0]=2 158 B12R2.612 c1c2c(nc(n1)Cl)CNC2=O AB77298 [0,1,0,0,0,0|3,0,0]=4 159 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,1,0,0,0,0|2,0,0]=3 160 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,0,0,0|2,0,0]=3 161 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,1,0,0,0,0|3,0,0]=4 162 B12R2.612 c1cc2c(cc1Br)CCC2N AB38395 [0,1,0,0,0,0|2,0,1]=4 163 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,1,0,0,0,0|1,0,2]=4 164 B12R2.612 c1cc2c(cc1Br)CC[C@@H]2N AB29101 [0,1,0,0,0,0|2,0,1]=4 165 B12R2.612 c1cc2c(cc1Br)CC[C@H]2N AB29099 [0,1,0,0,0,0|2,0,1]=4 166 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,1,0,0,0,0|1,0,0]=2 167 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,1,0,0,0,0|2,0,0]=3 168 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [0,1,0,0,0,0|3,0,0]=4 169 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [0,1,0,0,0,0|3,0,0]=4 170 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,0,0,0|1,0,0]=2 171 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,1,0,0,0,0|2,0,1]=4 172 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,1,0,0,0,0|2,0,1]=4 173 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,1,0,0,0,0|2,0,1]=4 174 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,1,0,0,0,0|1,0,0]=2 175 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,1,0,0,0,0|2,0,0]=3 176 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,1,0,0,0,0|2,0,0]=3 177 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [0,1,0,0,0,0|3,0,0]=4 178 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,0,0,0|1,0,0]=2 179 B12R2.612 c1cc2c(cc1F)CCC2N AB38284 [0,1,0,0,0,0|2,0,1]=4 180 B12R2.612 c1cc2c(cc1F)CC[C@@H]2N AB29094 [0,1,0,0,0,0|2,0,1]=4 181 B12R2.612 c1cc2c(cc1F)CC[C@H]2N AB29097 [0,1,0,0,0,0|2,0,1]=4 182 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,1,0,0,0,0|1,0,0]=2 183 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,1,0,0,0,0|2,0,0]=3 184 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [0,1,0,0,0,0|3,0,0]=4 185 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,0,0,0|1,0,0]=2 186 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,1,0,0,0,0|1,0,0]=2 187 B12R2.612 c1cc2c(cc1O)CC[C@H]2N AB43048 [0,1,0,0,0,0|2,0,1]=4 188 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,1,0,0,0,0|1,0,0]=2 189 B12R2.2028 B1(c2cccnc2C(=O)O1)O AB57835 [0,1,0,0,0,0|2,0,0]=3 190 B12R2.2028 Cc1c2ccccc2n(n1)N MB14907 [0,1,0,0,0,0|3,0,0]=4 191 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [0,1,0,0,0,0|3,0,0]=4 192 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [0,1,0,0,0,0|3,0,0]=4 193 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,1,0,0,0,0|3,0,0]=4 194 B12R2.2028 c1cc2c(nc1)C(=O)NC2=O AB01342 [0,1,0,0,0,0|2,0,1]=4 195 B12R2.2028 c1cc2c(nc1)C(=O)OC2=O PB28943 [0,1,0,0,0,0|1,0,1]=3 196 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,1,0,0,0,0|1,0,0]=2 197 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,0,0,0|1,0,0]=2 198 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,0,0,0|1,0,0]=2 199 B12R2.2028 c1cncc2c1C(=O)OC2=O PB17052 [0,1,0,0,0,0|1,0,1]=3 200 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [0,1,0,0,0,0|1,0,0]=2 201 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [0,1,0,0,0,0|1,0,0]=2 202 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,1,0,0,0|2,0,0]=3 204 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,1,0,0,0|3,0,0]=4 205 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,1,0,0,0|3,0,0]=4 206 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,1,0,0,0|3,0,0]=4 207 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,1,0,0,0|2,0,0]=3 208 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,1,0,0,0|2,0,0]=3 209 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,1,0,0,0|2,0,0]=3 210 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,1,0,0,0|2,0,0]=3 211 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,1,0,0,0|2,0,0]=3 212 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,1,0,0,0|3,0,0]=4 213 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,1,0,0,0|3,0,0]=4 214 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,1,0,0,0|3,0,0]=4 215 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,1,0,0,0|3,0,0]=4 216 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,1,0,0,0|2,0,0]=3 217 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,1,0,0,0|2,0,0]=3 218 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,1,0,0,0|2,0,0]=3 219 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,1,0,0,0|3,0,0]=4 220 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,1,0,0,0|3,0,0]=4 221 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,1,0,0,0|3,0,0]=4 222 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,1,0,0,0|3,0,0]=4 223 B10R1.17 c1c(cncn1)CCC=O AB57646 [0,0,1,0,0,0|3,0,0]=4 224 B10R1.17 c1cc(cnc1)CCC=O AB57626 [0,0,1,0,0,0|2,0,0]=3 225 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,0,1,0,0,0|1,0,0]=2 226 B10R1.17 c1ccc(cc1)CCCN AB00940 [0,0,1,0,0,0|2,0,1]=4 227 B10R1.17 c1ccnc(c1)CCC=O AB57635 [0,0,1,0,0,0|2,0,0]=3 228 B10R1.17 c1cnc(cn1)CCC=O AB57652 [0,0,1,0,0,0|3,0,0]=4 229 B10R1.17 c1cnc(nc1)CCC=O AB57644 [0,0,1,0,0,0|3,0,0]=4 230 B10R1.17 c1cnccc1CCC=O AB49299 [0,0,1,0,0,0|2,0,0]=3 231 B10R1.17 c1cncnc1CCC=O AB57649 [0,0,1,0,0,0|3,0,0]=4 232 B10R1.20 C#Cc1ccccc1C=O AB17472 [0,0,1,0,0,0|1,0,1]=3 233 B10R1.20 C#Cc1ccncc1C=O AB69095 [0,0,1,0,0,0|2,0,1]=4 234 B10R1.20 C#Cc1cnccc1C=O AB69064 [0,0,1,0,0,0|2,0,1]=4 235 B10R1.20 COc1c(cccn1)C=O PB26137 [0,0,1,0,0,0|3,0,0]=4 236 B10R1.20 COc1c(cccn1)CO PB20446 [0,0,1,0,0,0|3,0,0]=4 237 B10R1.20 COc1ccccc1C=O AB00311 [0,0,1,0,0,0|2,0,0]=3 238 B10R1.20 COc1cccnc1C=O AB22246 [0,0,1,0,0,0|3,0,0]=4 239 B10R1.20 COc1cccnc1CO MB05449 [0,0,1,0,0,0|3,0,0]=4 240 B10R1.20 COc1ccncc1C=O AB17569 [0,0,1,0,0,0|3,0,0]=4 241 B10R1.20 COc1cnccc1C=O AB17541 [0,0,1,0,0,0|3,0,0]=4 242 B10R1.20 CSc1c(cccn1)C=O MB07044 [0,0,1,0,0,0|3,0,0]=4 243 B10R1.20 CSc1c(cccn1)CO MB07043 [0,0,1,0,0,0|3,0,0]=4 244 B10R1.20 c1cc(c(nc1)C#N)C=O AB31409 [0,0,1,0,0,0|2,0,1]=4 245 B10R1.20 c1cc(c(nc1)C#N)CO AB31401 [0,0,1,0,0,0|2,0,1]=4 246 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [0,0,1,0,0,0|2,0,1]=4 247 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [0,0,1,0,0,0|2,0,0]=3 248 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [0,0,1,0,0,0|2,0,0]=3 249 B10R1.20 c1cc(c(nc1)CN)CO AB31405 [0,0,1,0,0,0|2,0,1]=4 250 B10R1.20 c1cc(c(nc1)CO)CO AB10176 [0,0,1,0,0,0|1,0,2]=4 251 B10R1.20 c1cncc(c1C#N)C=O AB74128 [0,0,1,0,0,0|2,0,1]=4 252 B10R1.20 c1cncc(c1C=O)C#N AB67707 [0,0,1,0,0,0|2,0,1]=4 253 B10R1.20 c1cncc(c1CCl)C=O AB69679 [0,0,1,0,0,0|2,0,0]=3 254 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,0,1,0,0,0|2,0,1]=4 255 B10R1.61 B(c1ccccc1Br)(O)O AB08325 [0,0,1,0,0,0|2,0,1]=4 256 B10R1.61 B(c1ccccc1C)(O)O AB03348 [0,0,1,0,0,0|1,0,1]=3 257 B10R1.61 B(c1ccccc1Cl)(O)O AB06914 [0,0,1,0,0,0|2,0,1]=4 258 B10R1.61 B(c1ccccc1F)(O)O AB06918 [0,0,1,0,0,0|2,0,1]=4 259 B10R1.61 B(c1ccccc1N)(O)O AB08088 [0,0,1,0,0,0|2,0,1]=4 260 B10R1.61 B(c1ccccc1O)(O)O AB08053 [0,0,1,0,0,0|2,0,1]=4 261 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,0,1,0,0,0|2,0,1]=4 262 B10R1.61 B(c1ccncc1C)(O)O PB33663 [0,0,1,0,0,0|2,0,1]=4 263 B10R1.61 B(c1cnccc1C)(O)O AB15952 [0,0,1,0,0,0|2,0,1]=4 264 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,0,1,0,0,0|3,0,0]=4 265 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,0,1,0,0,0|3,0,0]=4 266 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,0,1,0,0,0|3,0,0]=4 267 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,1,0,0,0|3,0,0]=4 268 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,1,0,0,0|3,0,0]=4 269 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,1,0,0,0|3,0,0]=4 270 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,1,0,0,0|3,0,0]=4 271 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,0,1,0,0,0|3,0,0]=4 272 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,0,1,0,0,0|3,0,0]=4 273 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,0,1,0,0,0|3,0,0]=4 274 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,0,1,0,0,0|3,0,0]=4 275 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,0,1,0,0,0|3,0,0]=4 276 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,0,1,0,0,0|3,0,0]=4 277 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,1,0,0,0|2,0,0]=3 278 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,0,1,0,0,0|1,0,0]=2 279 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,0,1,0,0,0|2,0,1]=4 280 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,0,1,0,0,0|2,0,0]=3 281 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,0,1,0,0,0|2,0,0]=3 282 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,0,1,0,0,0|2,0,0]=3 283 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,0,1,0,0,0|1,1,0]=3 284 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,0,1,0,0,0|1,0,0]=2 285 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,0,1,0,0,0|2,0,0]=3 286 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,0,1,0,0,0|1,0,0]=2 287 B10R1.61 Cc1ccncc1[N+](=O)[O-] PB27407 [0,0,1,0,0,0|2,0,1]=4 288 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,0,1,0,0,0|2,0,0]=3 289 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,0,1,0,0,0|1,0,0]=2 290 B10R1.61 Cc1cnccc1[N+](=O)[O-] PB15731 [0,0,1,0,0,0|2,0,1]=4 291 B10R1.61 Cc1cnncc1C(=O)O PB17923 [0,0,1,0,0,0|2,0,0]=3 292 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,0,1,0,0,0|3,0,0]=4 293 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,0,1,0,0,0|3,0,0]=4 294 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,0,1,0,0,0|3,0,0]=4 295 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,0,1,0,0,0|2,0,0]=3 296 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,0,1,0,0,0|3,0,0]=4 297 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,0,1,0,0,0|2,0,0]=3 298 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,0,1,0,0,0|2,0,0]=3 299 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,0,1,0,0,0|2,0,0]=3 300 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,0,1,0,0,0|2,0,0]=3 301 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,0,1,0,0,0|2,0,0]=3 302 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,0,1,0,0,0|2,0,0]=3 303 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,0,1,0,0,0|2,0,0]=3 304 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,1,0,0,0|2,0,0]=3 305 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [0,0,1,0,0,0|3,0,0]=4 306 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [0,0,1,0,0,0|3,0,0]=4 307 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [0,0,1,0,0,0|3,0,0]=4 308 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [0,0,1,0,0,0|3,0,0]=4 309 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,1,0,0,0|1,0,0]=2 310 B10R1.61 c1ccc(c(c1)C(=S)N)Br AB21272 [0,0,1,0,0,0|2,1,0]=4 311 B10R1.61 c1ccc(c(c1)C(=S)N)Cl AB01839 [0,0,1,0,0,0|2,1,0]=4 312 B10R1.61 c1ccc(c(c1)C(=S)N)N AB07816 [0,0,1,0,0,0|2,1,0]=4 313 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,0,1,0,0,0|3,0,0]=4 314 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,0,1,0,0,0|3,0,0]=4 315 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,0,1,0,0,0|3,0,0]=4 316 B10R1.61 c1cncc(c1Br)C(=O)O AB18009 [0,0,1,0,0,0|2,0,0]=3 317 B10R1.61 c1cncc(c1C(=O)N)O MB13532 [0,0,1,0,0,0|3,0,0]=4 318 B10R1.61 c1cncc(c1C(=O)O)Br PB10062 [0,0,1,0,0,0|2,0,0]=3 319 B10R1.61 c1cncc(c1C(=O)O)Cl AB13346 [0,0,1,0,0,0|2,0,0]=3 320 B10R1.61 c1cncc(c1C(=O)O)I AB09565 [0,0,1,0,0,0|2,0,0]=3 321 B10R1.61 c1cncc(c1C(=O)O)N PB17122 [0,0,1,0,0,0|2,0,0]=3 322 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [0,0,1,0,0,0|2,0,0]=3 323 B10R1.61 c1cncc(c1Cl)C(=O)O AB03598 [0,0,1,0,0,0|2,0,0]=3 324 B10R1.61 c1cncc(c1F)C(=O)O AB18036 [0,0,1,0,0,0|2,0,0]=3 325 B10R1.61 c1cncc(c1I)C(=O)O AB15003 [0,0,1,0,0,0|2,0,0]=3 326 B10R1.61 c1cncc(c1N)C(=O)N PB21456 [0,0,1,0,0,0|3,0,0]=4 327 B10R1.61 c1cncc(c1N)C(=O)O PB26016 [0,0,1,0,0,0|2,0,0]=3 328 B10R1.61 c1cncc(c1O)C(=O)N MB06099 [0,0,1,0,0,0|3,0,0]=4 329 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [0,0,1,0,0,0|2,0,0]=3 330 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,0,1,0,0,0|3,0,0]=4 331 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,0,1,0|2,0,1]=4 332 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [0,0,0,0,0,1|2,0,1]=4 333 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [0,0,0,0,0,1|2,0,1]=4 334 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,0,0,0,1|3,0,0]=4 335 B12R2.24 c1c2c(ncn1)CC(=O)CC2 AB61058 [0,0,0,0,0,1|3,0,0]=4 336 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,0,0,1|3,0,0]=4 337 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,0,0,1|2,0,0]=3 338 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,0,0,1|2,0,0]=3 339 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,0,0,1|2,0,0]=3 340 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,0,0,1|3,0,0]=4 341 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,0,0,0,0,1|2,0,1]=4 342 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,0,0,0,0,1|1,0,0]=2 343 B12R2.24 c1ccc2c(c1)CCC(C2)N AB02010 [0,0,0,0,0,1|2,0,1]=4 344 B12R2.24 c1ccc2c(c1)CCN(C2)N MB00779 [0,0,0,0,0,1|3,0,0]=4 345 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,0,0,0,0,1|2,0,0]=3 346 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,0,0,0,0,1|2,0,0]=3 347 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,0,0,0,0,1|1,0,1]=3 348 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,0,0,0,0,1|3,0,0]=4 349 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,0,0,0,0,1|2,0,1]=4 350 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,0,0,0,0,1|2,0,1]=4 351 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,0,0,0,0,1|2,0,1]=4 352 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,0,0,0,0,1|2,0,1]=4 353 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,0,0,0,0,1|3,0,0]=4 354 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,0,0,0,0,1|3,0,0]=4 355 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,0,0,0,0,1|2,0,1]=4 356 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,0,0,0,0,1|2,0,1]=4 357 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,0,0,0,0,1|2,0,1]=4 358 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,0,0,0,0,1|1,0,2]=4 359 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,0,0,0,0,1|2,0,1]=4 360 B12R2.24 c1cncc2c1CC(=O)NC2 AB64881 [0,0,0,0,0,1|2,0,0]=3 361 B12R2.24 c1cncc2c1CCC(=O)N2 MB05928 [0,0,0,0,0,1|2,0,0]=3 362 B12R2.24 c1cncc2c1CNC(=O)C2 AB68337 [0,0,0,0,0,1|2,0,0]=3 363 B12R2.24 c1cncc2c1NC(=O)CC2 MB05707 [0,0,0,0,0,1|2,0,0]=3 364 B12R2.1081 CC1c2ccccc2CCN1 AB07224 [0,0,0,0,0,1|2,0,1]=4 365 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [0,0,0,0,0,1|3,0,0]=4 366 B12R2.1081 c1c2c(ncn1)CCNC2=O AB77289 [0,0,0,0,0,1|3,0,0]=4 367 B12R2.1081 c1cc2c(=O)[nH]cnc2nc1 PB19911 [0,0,0,0,0,1|2,0,1]=4 368 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [0,0,0,0,0,1|2,0,1]=4 369 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [0,0,0,0,0,1|2,0,1]=4 370 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,0,0,0,0,1|2,0,0]=3 371 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,0,0,0,0,1|1,0,0]=2 372 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,0,0,0,0,1|2,0,0]=3 373 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,0,0,0,0,1|2,0,0]=3 374 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,0,0,0,0,1|2,0,0]=3 375 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,0,0,0,0,1|2,0,0]=3 376 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [0,0,0,0,0,1|2,0,1]=4 377 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,0,0,0,0,1|1,0,0]=2 378 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,0,0,0,0,1|1,0,0]=2 379 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,0,0,0,0,1|2,0,0]=3 380 B12R2.1081 c1ccc2c(c1)C(CCN2)N AB39305 [0,0,0,0,0,1|2,0,1]=4 381 B12R2.1081 c1ccc2c(c1)C(CCO2)N AB06995 [0,0,0,0,0,1|2,0,1]=4 382 B12R2.1081 c1ccc2c(c1)CCCC2N AB00150 [0,0,0,0,0,1|2,0,1]=4 383 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N AB06758 [0,0,0,0,0,1|2,0,1]=4 384 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,0,0,0,0,1|1,0,0]=2 385 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,0,0,0,0,1|0,0,0]=1 386 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,0,0,0,0,1|1,0,0]=2 387 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,0,0,0,0,1|0,0,0]=1 388 B12R2.1081 c1ccc2c(c1)COCC2N PB29671 [0,0,0,0,0,1|1,0,1]=3 389 B12R2.1081 c1ccc2c(c1)COCC2O AB70306 [0,0,0,0,0,1|0,0,2]=3 390 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N AB45531 [0,0,0,0,0,1|2,0,1]=4 391 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N AB29090 [0,0,0,0,0,1|2,0,1]=4 392 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,0,0,0,0,1|2,0,1]=4 393 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,0,0,0,0,1|2,0,1]=4 394 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,0,0,0,0,1|2,0,1]=4 395 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,0,0,0,0,1|2,0,1]=4 396 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,0,0,0,0,1|2,0,1]=4 397 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,0,0,0,0,1|2,0,1]=4 398 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,0,0,0,0,1|2,0,1]=4 399 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,0,0,0,0,1|1,0,2]=4 400 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,0,0,0,0,1|2,0,1]=4 401 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,0,0,0,0,1|1,0,2]=4 402 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [0,0,0,0,0,1|2,0,1]=4 403 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [0,0,0,0,0,1|2,0,0]=3 404 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [0,0,0,0,0,1|2,0,0]=3 405 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [0,0,0,0,0,1|2,0,0]=3 406 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [0,0,0,0,0,1|2,0,0]=3 407 B12R2.1081 c1cncc2c1OCCC2=O AB68939 [0,0,0,0,0,1|2,0,0]=3 408 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,0,0,0,0,1|2,0,1]=4 409 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,1,0,0,0|1,0,0]=3 410 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,1,0,0,0|1,0,0]=3 411 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,1,0,0,0|2,0,0]=4 412 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,1,0,0,0|1,0,0]=3 413 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,1,0,0,0|2,0,0]=4 414 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,1,0,0,0|2,0,0]=4 415 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,1,0,0,0|2,0,0]=4 416 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,1,0,0,0|2,0,0]=4 417 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,1,0,0,0|2,0,0]=4 418 B9R1.6 CC(c1ccccc1)Cl AB01249 [1,0,1,0,0,0|1,0,1]=4 419 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,1,0,0,0|2,0,0]=4 420 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,1,0,0,0|2,0,0]=4 421 B9R1.6 c1ccc(cc1)C(=N)N AB01943 [1,0,1,0,0,0|2,0,0]=4 422 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,1,0,0,0|1,0,0]=3 423 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,1,0,0,0|2,0,0]=4 424 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,1,0,0,0|2,0,0]=4 425 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,1,0,0,0|1,0,0]=3 426 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,1,0,0,0|2,0,0]=4 427 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,1,0,0,0|2,0,0]=4 428 B9R1.8 c1c(cncn1)CC=O AB57639 [1,0,1,0,0,0|2,0,0]=4 429 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [1,0,1,0,0,0|1,0,1]=4 430 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [1,0,1,0,0,0|2,0,0]=4 431 B9R1.8 c1ccnc(c1)CC=O AB61426 [1,0,1,0,0,0|1,0,0]=3 432 B9R1.8 c1cnc(cn1)CC=O AB57650 [1,0,1,0,0,0|2,0,0]=4 433 B9R1.8 c1cnc(nc1)CC=O AB57641 [1,0,1,0,0,0|2,0,0]=4 434 B9R1.8 c1cncnc1CC=O AB57648 [1,0,1,0,0,0|2,0,0]=4 435 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,1,0,0,0|1,0,0]=3 436 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,1,0,0,0|1,0,1]=4 437 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,0,1,0,0,0|2,0,0]=4 438 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,1,0,0,0|1,0,0]=3 439 B9R1.15 Cc1cccnc1CO AB12590 [1,0,1,0,0,0|1,0,1]=4 440 B9R1.15 Cc1ccncc1C=O PB23498 [1,0,1,0,0,0|1,0,0]=3 441 B9R1.15 Cc1ccncc1CO PB21746 [1,0,1,0,0,0|1,0,1]=4 442 B9R1.15 Cc1cnccc1C=O AB11481 [1,0,1,0,0,0|1,0,0]=3 443 B9R1.15 Cc1cnccc1CO PB32359 [1,0,1,0,0,0|1,0,1]=4 444 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,0,1,0,0,0|2,0,0]=4 445 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [1,0,1,0,0,0|2,0,0]=4 446 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,0,1,0,0,0|2,0,0]=4 447 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,0,1,0,0,0|2,0,0]=4 448 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,0,1,0,0,0|2,0,0]=4 449 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,1,0,0,0|1,0,0]=3 450 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [1,0,1,0,0,0|2,0,0]=4 451 B9R1.15 c1cc(c(nc1)CO)F PB22208 [1,0,1,0,0,0|2,0,0]=4 452 B9R1.15 c1cc(c(nc1)CO)N AB31896 [1,0,1,0,0,0|2,0,0]=4 453 B9R1.15 c1cc(c(nc1)CO)O MB00702 [1,0,1,0,0,0|1,0,1]=4 454 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,0,1,0,0,0|2,0,0]=4 455 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [1,0,1,0,0,0|2,0,0]=4 456 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,0,1,0,0,0|2,0,0]=4 457 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,0,1,0,0,0|2,0,0]=4 458 B9R1.15 c1cc(c(nc1)N)CO PB32383 [1,0,1,0,0,0|2,0,0]=4 459 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,1,0,0,0|1,0,0]=3 460 B9R1.15 c1cc(c(nc1)O)CO AB52938 [1,0,1,0,0,0|1,0,1]=4 461 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,1,0,0,0|1,0,0]=3 462 B9R1.15 c1ccc(c(c1)CI)O MB07048 [1,0,1,0,0,0|1,0,1]=4 463 B9R1.15 c1ccc(c(c1)CN)O MB01565 [1,0,1,0,0,0|1,0,1]=4 464 B9R1.15 c1cncc(c1Br)C=O AB25683 [1,0,1,0,0,0|2,0,0]=4 465 B9R1.15 c1cncc(c1Br)C=O AB53933 [1,0,1,0,0,0|2,0,0]=4 466 B9R1.15 c1cncc(c1C=O)Br PB17335 [1,0,1,0,0,0|2,0,0]=4 467 B9R1.15 c1cncc(c1C=O)Cl AB23043 [1,0,1,0,0,0|2,0,0]=4 468 B9R1.15 c1cncc(c1C=O)F PB32422 [1,0,1,0,0,0|2,0,0]=4 469 B9R1.15 c1cncc(c1C=O)N PB20170 [1,0,1,0,0,0|2,0,0]=4 470 B9R1.15 c1cncc(c1C=O)O AB08714 [1,0,1,0,0,0|1,0,0]=3 471 B9R1.15 c1cncc(c1CO)Br PB19192 [1,0,1,0,0,0|2,0,0]=4 472 B9R1.15 c1cncc(c1CO)F PB29849 [1,0,1,0,0,0|2,0,0]=4 473 B9R1.15 c1cncc(c1CO)N AB25787 [1,0,1,0,0,0|2,0,0]=4 474 B9R1.15 c1cncc(c1Cl)C=O AB17590 [1,0,1,0,0,0|2,0,0]=4 475 B9R1.15 c1cncc(c1F)C=O AB32109 [1,0,1,0,0,0|2,0,0]=4 476 B9R1.15 c1cncc(c1N)C=O AB12471 [1,0,1,0,0,0|2,0,0]=4 477 B9R1.15 c1cncc(c1N)C=O PB27639 [1,0,1,0,0,0|2,0,0]=4 478 B9R1.15 c1cncc(c1N)CO PB14435 [1,0,1,0,0,0|2,0,0]=4 479 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,1,0,0,0|1,0,0]=3 480 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,1,0,0,0|1,0,0]=3 481 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,1,1,0,0,0|2,0,0]=4 482 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,1,0,0,0|1,0,0]=3 483 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,1,0,0,0|0,0,0]=2 484 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,1,0,0,0|2,0,0]=4 485 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,1,0,0,0|1,0,0]=3 486 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,1,0,0,0|2,0,0]=4 487 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,1,0,0,0|2,0,0]=4 488 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,1,0,0,0|1,0,0]=3 489 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,1,0,0,0|1,0,0]=3 490 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,1,0,0,0|1,0,0]=3 491 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,1,0,0,0|1,0,0]=3 492 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,1,0,0,0|1,0,0]=3 493 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,1,0,0,0|1,0,0]=3 494 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,1,0,0,0|1,0,0]=3 495 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,1,0,0,0|1,0,0]=3 496 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,1,0,0,0|1,0,0]=3 497 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,1,0,0,0|1,0,0]=3 498 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,1,0,0,0|2,0,0]=4 499 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,1,0,0,0|2,0,0]=4 500 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,1,0,0,0|2,0,0]=4 501 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,1,0,0,0|2,0,0]=4 502 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,1,0,0,0|2,0,0]=4 503 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,1,0,0,0|2,0,0]=4 504 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,1,0,0,0|2,0,0]=4 505 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,1,0,0,0|2,0,0]=4 506 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,1,0,0,0|2,0,0]=4 507 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,1,0,0,0|2,0,0]=4 508 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,1,0,0,0|2,0,0]=4 509 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,1,0,0,0|2,0,0]=4 510 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,1,0,0,0|2,0,0]=4 511 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,1,0,0,0|2,0,0]=4 512 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,1,0,0,0|1,0,0]=3 513 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05249 [0,1,1,0,0,0|2,0,0]=4 514 B11R1.22 Cc1ccc(cc1)C(=O)C=O AB05288 [0,1,1,0,0,0|2,0,0]=4 515 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,1,0,0,0|2,0,0]=4 516 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,1,0,0,0|2,0,0]=4 517 B11R1.22 c1cc(ccc1C(=O)C#N)Br MB00883 [0,1,1,0,0,0|2,0,0]=4 518 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB07939 [0,1,1,0,0,0|2,0,0]=4 519 B11R1.22 c1cc(ccc1C(=O)C=O)Br AB49987 [0,1,1,0,0,0|2,0,0]=4 520 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,1,1,0,0,0|2,0,0]=4 521 B11R1.22 c1cc(ccc1C(=O)C=O)F AB09010 [0,1,1,0,0,0|2,0,0]=4 522 B11R1.22 c1cc(ccc1C(=O)C=O)O AB02263 [0,1,1,0,0,0|2,0,0]=4 523 B11R1.22 c1cc(ccc1C(=O)CN)Br CB10172 [0,1,1,0,0,0|2,0,0]=4 524 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,1,1,0,0,0|2,0,0]=4 525 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,1,0,0,0|2,0,0]=4 526 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,1,0,0,0|2,0,0]=4 527 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,1,0,0,0|2,0,0]=4 528 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,1,0,0,0|2,0,0]=4 529 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,1,0,0,0|2,0,0]=4 530 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,1,0,0,0|2,0,0]=4 531 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,1,0,0,0|1,0,0]=3 532 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,1,0,0,0|2,0,0]=4 533 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,1,0,0,0|2,0,0]=4 534 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,1,0,0,0|1,0,0]=3 535 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,1,0,0,0|1,0,0]=3 536 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,1,0,0,0|1,0,0]=3 537 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,1,0,0,0|1,0,0]=3 538 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,1,0,0,0|1,0,0]=3 539 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,1,0,0,0|1,0,0]=3 540 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,1,0,0,0|1,0,0]=3 541 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,1,0,0,0|1,0,0]=3 542 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,1,0,0,0|1,0,0]=3 543 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,1,0,0,0|1,0,0]=3 544 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,1,0,0,0|1,0,0]=3 545 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,1,0,0,0|1,0,0]=3 546 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,1,0,0,0|1,0,0]=3 547 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,1,0,0,0|2,0,0]=4 548 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,1,0,0,0|2,0,0]=4 549 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,1,0,0,0|1,0,0]=3 550 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,1,0,0,0|0,0,0]=2 551 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,1,0,0,0|1,0,0]=3 552 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,1,0,0,0|1,0,0]=3 553 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,1,0,0,0|1,0,0]=3 554 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,1,0,0,0|1,0,0]=3 555 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,1,0,0,0|1,0,0]=3 556 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,1,0,0,0|1,0,0]=3 557 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,1,0,0,0|1,0,0]=3 558 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,1,0,0,0|1,0,0]=3 559 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,1,0,0,0|2,0,0]=4 560 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,1,0,0,0|2,0,0]=4 561 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,1,0,0,0|2,0,0]=4 562 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,1,0,0,0|2,0,0]=4 563 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,1,0,0,0|2,0,0]=4 564 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,1,0,0,0|1,0,0]=3 565 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,1,0,0,0|1,0,0]=3 566 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,1,0,0,0|2,0,0]=4 567 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB45356 [0,1,1,0,0,0|2,0,0]=4 568 B11R1.23 c1cc(cc(c1)Br)C(=O)C=O AB48671 [0,1,1,0,0,0|2,0,0]=4 569 B11R1.23 c1cc(cc(c1)Cl)C(=O)C#N MB03014 [0,1,1,0,0,0|2,0,0]=4 570 B11R1.23 c1cc(cc(c1)Cl)C(=O)C=O AB48675 [0,1,1,0,0,0|2,0,0]=4 571 B11R1.23 c1cc(cc(c1)F)C(=O)C=O AB29976 [0,1,1,0,0,0|2,0,0]=4 572 B11R1.23 c1cc(cc(c1)N)C(=O)CBr AB27803 [0,1,1,0,0,0|2,0,0]=4 573 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,1,0,0,0|2,0,0]=4 574 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,1,0,0,0|1,0,0]=3 575 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,1,0,0,0|2,0,0]=4 576 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,1,0,0,0|1,0,0]=3 577 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,1,0,0,0|2,0,0]=4 578 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,1,0,0,0|2,0,0]=4 579 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,1,0,0,0|1,0,0]=3 580 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,1,0,0,0|1,0,0]=3 581 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,1,0,0,0|1,0,0]=3 582 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,1,0,0,0|1,0,0]=3 583 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,1,0,0,0|1,0,0]=3 584 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,1,0,0,0|2,0,0]=4 585 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,1,0,0,0|2,0,0]=4 586 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,1,0,0,0|2,0,0]=4 587 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,1,0,0,0|1,0,0]=3 588 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,1,0,0,0|1,0,0]=3 589 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,1,0,0,0|1,0,0]=3 590 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,1,0,0,0|1,0,0]=3 591 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,1,0,0,0|1,0,0]=3 592 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,1,0,0,0|1,0,0]=3 593 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,1,0,0,0|1,0,0]=3 594 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,1,0,0,0|1,0,0]=3 595 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,1,0,0,0|1,0,0]=3 596 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,1,0,0,0|2,0,0]=4 597 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,1,0,0,0|2,0,0]=4 598 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,1,0,0,0|0,0,0]=2 599 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,1,0,0,0|1,0,0]=3 600 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,1,0,0,0|1,0,0]=3 601 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,1,0,0,0|2,0,0]=4 602 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl MB02595 [0,1,1,0,0,0|2,0,0]=4 603 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,1,1,0,0,0|2,0,0]=4 604 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,1,1,0,0,0|2,0,0]=4 605 B11R1.1 Cc1ccc(cc1)CCC=O AB17667 [0,1,1,0,0,0|1,0,0]=3 606 B11R1.1 c1cc(ccc1CCC=O)Br AB42279 [0,1,1,0,0,0|1,0,0]=3 607 B11R1.1 c1cc(ccc1CCC=O)Cl AB42276 [0,1,1,0,0,0|1,0,0]=3 608 B11R1.1 c1cc(ccc1CCC=O)F AB43536 [0,1,1,0,0,0|1,0,0]=3 609 B11R1.1 c1cc(ccc1CCC=O)O AB49241 [0,1,1,0,0,0|1,0,0]=3 610 B11R1.17 Cc1ccccc1CCC=O AB42260 [0,1,1,0,0,0|1,0,0]=3 611 B11R1.17 c1ccc(c(c1)CCC=O)Br AB49228 [0,1,1,0,0,0|1,0,0]=3 612 B11R1.17 c1ccc(c(c1)CCC=O)Cl AB42271 [0,1,1,0,0,0|1,0,0]=3 613 B11R1.17 c1ccc(c(c1)CCC=O)F AB49232 [0,1,1,0,0,0|1,0,0]=3 614 B11R1.24 Cc1cccc(c1)CCC=O AB42263 [0,1,1,0,0,0|1,0,0]=3 615 B11R1.24 c1cc(cc(c1)Br)CCC=O AB49239 [0,1,1,0,0,0|1,0,0]=3 616 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,1,1,0,0,0|1,0,0]=3 617 B11R1.24 c1cc(cc(c1)F)CCC=O AB43534 [0,1,1,0,0,0|1,0,0]=3 618 B11R1.28 c1ccc(cc1)COCCN AB05315 [0,1,1,0,0,0|1,0,1]=4 619 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,1,1,0,0,0|1,0,0]=3 620 B11R1.91 CC(=O)OCc1cccnc1 AB49310 [0,1,1,0,0,0|1,0,0]=3 621 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [0,1,1,0,0,0|1,0,1]=4 622 B11R1.91 c1ccc(cc1)CSC(=N)N AB01105 [0,1,1,0,0,0|1,1,0]=4 623 B11R1.37 CCc1cc(ccc1C=O)O MB23751 [0,1,1,0,0,0|1,0,0]=3 624 B11R1.37 CCc1ccc(cc1C=O)O MB23937 [0,1,1,0,0,0|1,0,0]=3 625 B11R1.37 CNc1cc(ccc1C=O)O MB38802 [0,1,1,0,0,0|2,0,0]=4 626 B11R1.37 CNc1ccc(cc1C=O)O MB25553 [0,1,1,0,0,0|2,0,0]=4 627 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,1,1,0,0,0|2,0,0]=4 628 B11R1.37 COc1ccc(cc1C=O)I AB20799 [0,1,1,0,0,0|2,0,0]=4 629 B11R1.37 COc1ccc(cc1CO)Br MB00140 [0,1,1,0,0,0|2,0,0]=4 630 B11R1.37 CSc1cc(ccc1C=O)O MB34891 [0,1,1,0,0,0|2,0,0]=4 631 B11R1.37 CSc1ccc(cc1C=O)O MB28246 [0,1,1,0,0,0|2,0,0]=4 632 B11R1.37 c1cc(c(cc1Cl)C#N)C=O MB08901 [0,1,1,0,0,0|1,0,1]=4 633 B11R1.37 c1cc(c(cc1Cl)C=O)C#N MB08898 [0,1,1,0,0,0|1,0,1]=4 634 B11R1.37 c1cc(c(cc1F)C#N)C=O MB06069 [0,1,1,0,0,0|1,0,1]=4 635 B11R1.37 c1cc(c(cc1O)C=O)C=O MB33390 [0,1,1,0,0,0|0,0,2]=4 636 B11R1.37 c1cc(c(cc1O)C=O)CN MB26905 [0,1,1,0,0,0|1,0,0]=3 637 B11R1.37 c1cc(c(cc1O)CN)C=O MB30625 [0,1,1,0,0,0|1,0,0]=3 638 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,1,1,0,0,0|2,0,0]=4 639 B11R1.41 COc1ccccc1CC=O AB02842 [0,1,1,0,0,0|2,0,0]=4 640 B11R1.53 B(c1ccccc1C=C)(O)O AB08106 [0,1,1,0,0,0|2,0,0]=4 641 B11R1.53 B(c1ccccc1C=O)(O)O AB03992 [0,1,1,0,0,0|1,0,0]=3 642 B11R1.53 B(c1ccncc1C=O)(O)O AB23827 [0,1,1,0,0,0|2,0,0]=4 643 B11R1.53 CC(C)c1cccnc1C=O AB65916 [0,1,1,0,0,0|2,0,0]=4 644 B11R1.53 CCc1ccccc1C(=S)N AB26904 [0,1,1,0,0,0|1,1,0]=4 645 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [0,1,1,0,0,0|1,0,0]=3 646 B11R1.265 CCc1c(cccc1O)C=O MB23582 [0,1,1,0,0,0|1,0,0]=3 647 B11R1.265 CCc1cccc(c1C=O)O MB24050 [0,1,1,0,0,0|1,0,0]=3 648 B11R1.265 COc1c(cccc1O)C=O MB03871 [0,1,1,0,0,0|2,0,0]=4 649 B11R1.265 COc1cccc(c1C=O)Br MB05120 [0,1,1,0,0,0|2,0,0]=4 650 B11R1.265 COc1cccc(c1C=O)I AB18152 [0,1,1,0,0,0|2,0,0]=4 651 B11R1.265 CSc1c(cccc1O)C=O MB26872 [0,1,1,0,0,0|2,0,0]=4 652 B11R1.265 CSc1cccc(c1C=O)O MB27306 [0,1,1,0,0,0|2,0,0]=4 653 B11R1.265 Cc1cccc(c1C=O)OC MB05932 [0,1,1,0,0,0|2,0,0]=4 654 B11R1.265 c1c(c(c(cn1)O)C=O)CCl AB84397 [0,1,1,0,0,0|2,0,0]=4 655 B11R1.265 c1cc(c(c(c1)Cl)C#N)C=O CB11462 [0,1,1,0,0,0|1,0,1]=4 656 B11R1.265 c1cc(c(c(c1)O)C#N)C=O MB25661 [0,1,1,0,0,0|1,0,1]=4 657 B11R1.265 c1cc(c(c(c1)O)C=O)C#N MB29613 [0,1,1,0,0,0|1,0,1]=4 658 B11R1.265 c1cc(c(c(c1)O)C=O)C=O MB35004 [0,1,1,0,0,0|0,0,2]=4 659 B11R1.265 c1cc(c(c(c1)O)C=O)CN MB30151 [0,1,1,0,0,0|1,0,0]=3 660 B11R1.265 c1cc(c(c(c1)O)CN)C=O MB28913 [0,1,1,0,0,0|1,0,0]=3 661 B11R1.265 c1cnc(c(c1CCl)C=O)O AB84495 [0,1,1,0,0,0|2,0,0]=4 662 B11R1.265 c1cnc(c(c1CO)C=O)N AB76614 [0,1,1,0,0,0|1,0,0]=3 663 B11R1.265 c1cnc(c(c1O)C=O)CCl AB84467 [0,1,1,0,0,0|2,0,0]=4 664 B11R1.156 B(c1c(cccc1C)C)(O)O AB07956 [0,1,1,0,0,0|1,0,1]=4 665 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,1,1,0,0,0|1,0,0]=3 666 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,1,1,0,0,0|2,0,0]=4 667 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,1,1,0,0,0|1,0,0]=3 668 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,1,1,0,0,0|2,0,0]=4 669 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,1,1,0,0,0|1,0,0]=3 670 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,1,1,0,0,0|2,0,0]=4 671 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,1,1,0,0,0|2,0,0]=4 672 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,1,1,0,0,0|1,0,0]=3 673 B11R1.156 Cc1c(c(ncn1)C)C(=O)O AB42986 [0,1,1,0,0,0|2,0,0]=4 674 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,1,1,0,0,0|1,0,0]=3 675 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,1,1,0,0,0|0,0,0]=2 676 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Br PB23310 [0,1,1,0,0,0|1,0,1]=4 677 B11R1.156 Cc1cccc(c1[N+](=O)[O-])F MB06236 [0,1,1,0,0,0|1,0,1]=4 678 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,1,1,0,0,0|2,0,0]=4 679 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [0,1,1,0,0,0|2,0,0]=4 680 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [0,1,1,0,0,0|2,0,0]=4 681 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,1,1,0,0,0|2,0,0]=4 682 B11R1.156 Cc1ccnc(c1C(=O)O)Br AB67819 [0,1,1,0,0,0|1,0,0]=3 683 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,1,1,0,0,0|1,0,0]=3 684 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,1,1,0,0,0|1,0,0]=3 685 B11R1.156 Cc1ccnc(c1C(=O)O)Cl AB64079 [0,1,1,0,0,0|1,0,0]=3 686 B11R1.156 Cc1ccnc(c1C(=O)O)F AB67822 [0,1,1,0,0,0|1,0,0]=3 687 B11R1.156 Cc1ccnc(c1C(=O)O)N AB15101 [0,1,1,0,0,0|1,0,0]=3 688 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [0,1,1,0,0,0|2,0,0]=4 689 B11R1.156 Cc1cncc(c1C(=O)C)Cl AB75144 [0,1,1,0,0,0|2,0,0]=4 690 B11R1.156 Cc1cncc(c1C(=O)C)F AB75182 [0,1,1,0,0,0|2,0,0]=4 691 B11R1.156 Cc1cncc(c1C(=O)C)N AB83771 [0,1,1,0,0,0|2,0,0]=4 692 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,1,1,0,0,0|2,0,0]=4 693 B11R1.156 Cc1cncc(c1C(=O)O)C AB55862 [0,1,1,0,0,0|1,0,0]=3 694 B11R1.156 Cc1cncc(c1C(=O)O)Cl AB75141 [0,1,1,0,0,0|1,0,0]=3 695 B11R1.156 Cc1cncc(c1C(=O)O)F AB74901 [0,1,1,0,0,0|1,0,0]=3 696 B11R1.156 Cc1cncc(c1C(=O)O)N AB83392 [0,1,1,0,0,0|1,0,0]=3 697 B11R1.156 c1c(c(c(cn1)Br)C(=O)O)N AB75259 [0,1,1,0,0,0|2,0,0]=4 698 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)F AB66801 [0,1,1,0,0,0|2,0,0]=4 699 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)N AB75273 [0,1,1,0,0,0|2,0,0]=4 700 B11R1.156 c1c(c(c(cn1)F)C(=O)O)F AB21238 [0,1,1,0,0,0|2,0,0]=4 701 B11R1.156 c1c(c(c(cn1)N)C(=O)O)N AB83400 [0,1,1,0,0,0|2,0,0]=4 702 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)Cl MB01394 [0,1,1,0,0,0|1,0,0]=3 703 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)F PB24723 [0,1,1,0,0,0|1,0,0]=3 704 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)O MB13463 [0,1,1,0,0,0|1,0,0]=3 705 B11R1.156 c1cc(c(c(c1)Cl)C(=O)N)O MB31636 [0,1,1,0,0,0|2,0,0]=4 706 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)O MB08537 [0,1,1,0,0,0|1,0,0]=3 707 B11R1.156 c1cc(c(c(c1)F)C(=O)N)O MB25665 [0,1,1,0,0,0|2,0,0]=4 708 B11R1.156 c1cc(c(c(c1)I)C(=O)N)O MB38290 [0,1,1,0,0,0|2,0,0]=4 709 B11R1.156 c1cc(c(c(c1)O)C(=O)N)N MB25426 [0,1,1,0,0,0|2,0,0]=4 710 B11R1.156 c1cc(c(c(c1)O)C(=O)O)N MB25644 [0,1,1,0,0,0|1,0,0]=3 711 B11R1.156 c1cnc(c(c1Br)C(=O)O)Cl AB67961 [0,1,1,0,0,0|2,0,0]=4 712 B11R1.156 c1cnc(c(c1Br)C(=O)O)N AB83474 [0,1,1,0,0,0|2,0,0]=4 713 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl PB21990 [0,1,1,0,0,0|2,0,0]=4 714 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F AB70640 [0,1,1,0,0,0|2,0,0]=4 715 B11R1.156 c1cnc(c(c1Cl)C(=O)O)N AB76504 [0,1,1,0,0,0|2,0,0]=4 716 B11R1.156 c1cnc(c(c1F)C(=O)O)Br AB68046 [0,1,1,0,0,0|2,0,0]=4 717 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl AB62791 [0,1,1,0,0,0|2,0,0]=4 718 B11R1.156 c1cnc(c(c1F)C(=O)O)F AB49328 [0,1,1,0,0,0|2,0,0]=4 719 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl AB21846 [0,1,1,0,0,0|2,0,0]=4 720 B11R1.156 c1cnc(c(c1N)C(=O)O)Br AB68111 [0,1,1,0,0,0|2,0,0]=4 721 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl PB30056 [0,1,1,0,0,0|2,0,0]=4 722 B11R1.156 c1cnc(c(c1N)C(=O)O)N AB83473 [0,1,1,0,0,0|2,0,0]=4 723 B11R1.159 B(c1cccc(c1C)C)(O)O AB10380 [0,1,1,0,0,0|1,0,1]=4 724 B11R1.159 B(c1cccc(c1C)Cl)(O)O AB20315 [0,1,1,0,0,0|1,0,1]=4 725 B11R1.159 B(c1cccc(c1C)F)(O)O AB32063 [0,1,1,0,0,0|1,0,1]=4 726 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,1,1,0,0,0|2,0,0]=4 727 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,1,1,0,0,0|2,0,0]=4 728 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,1,0,0,0|2,0,0]=4 729 B11R1.159 Cc1c(c(ccn1)C(=O)O)Cl AB71251 [0,1,1,0,0,0|2,0,0]=4 730 B11R1.159 Cc1c(c(ccn1)C(=O)O)N AB70614 [0,1,1,0,0,0|2,0,0]=4 731 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,1,1,0,0,0|1,0,0]=3 732 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,1,1,0,0,0|2,0,0]=4 733 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,1,1,0,0,0|2,0,0]=4 734 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,1,0,0,0|1,0,0]=3 735 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,1,0,0,0|1,0,0]=3 736 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [0,1,1,0,0,0|2,0,0]=4 737 B11R1.159 Cc1c(ccnc1Cl)C(=O)O AB71250 [0,1,1,0,0,0|1,0,0]=3 738 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [0,1,1,0,0,0|2,0,0]=4 739 B11R1.159 Cc1c(ccnc1F)C(=O)O AB71345 [0,1,1,0,0,0|1,0,0]=3 740 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,1,1,0,0,0|2,0,0]=4 741 B11R1.159 Cc1c(cncc1Cl)C(=O)O AB41997 [0,1,1,0,0,0|1,0,0]=3 742 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,1,1,0,0,0|2,0,0]=4 743 B11R1.159 Cc1c(nccc1C(=O)O)C AB63167 [0,1,1,0,0,0|1,0,0]=3 744 B11R1.159 Cc1cccc(c1N)C(=O)O AB00891 [0,1,1,0,0,0|1,0,0]=3 745 B11R1.159 Cc1cccc(c1O)C(=O)N MB01077 [0,1,1,0,0,0|2,0,0]=4 746 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,1,0,0,0|2,0,0]=4 747 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,1,0,0,0|1,0,0]=3 748 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,1,0,0,0|2,0,0]=4 749 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,1,0,0,0|2,0,0]=4 750 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,1,0,0,0|2,0,0]=4 751 B11R1.159 Cc1cncc(c1C)C(=O)O AB66692 [0,1,1,0,0,0|1,0,0]=3 752 B11R1.159 Cc1cncc(c1Cl)C(=O)O AB74918 [0,1,1,0,0,0|2,0,0]=4 753 B11R1.159 Cc1cncc(c1F)C(=O)O AB74900 [0,1,1,0,0,0|2,0,0]=4 754 B11R1.159 Cc1cncc(c1N)C(=O)O AB75852 [0,1,1,0,0,0|2,0,0]=4 755 B11R1.159 Cn1cccc(c1=O)C(=O)O PB12189 [0,1,1,0,0,0|2,0,0]=4 756 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O AB53577 [0,1,1,0,0,0|2,0,0]=4 757 B11R1.159 c1c(c(c(cn1)Cl)F)C(=O)O AB74903 [0,1,1,0,0,0|2,0,0]=4 758 B11R1.159 c1c(c(c(cn1)Cl)N)C(=O)O AB53579 [0,1,1,0,0,0|2,0,0]=4 759 B11R1.159 c1c(c(c(cn1)Cl)O)C(=O)O AB74884 [0,1,1,0,0,0|2,0,0]=4 760 B11R1.159 c1c(c(c(cn1)F)Cl)C(=O)O AB74905 [0,1,1,0,0,0|2,0,0]=4 761 B11R1.159 c1c(c(c(cn1)N)Cl)C(=O)O AB83881 [0,1,1,0,0,0|2,0,0]=4 762 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O AB83440 [0,1,1,0,0,0|2,0,0]=4 763 B11R1.159 c1c(c(c(cn1)O)Cl)C(=O)O AB74891 [0,1,1,0,0,0|2,0,0]=4 764 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)O PB18506 [0,1,1,0,0,0|1,0,0]=3 765 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AB15588 [0,1,1,0,0,0|1,0,0]=3 766 B11R1.159 c1cc(c(c(c1)Br)O)C(=O)N MB00430 [0,1,1,0,0,0|2,0,0]=4 767 B11R1.159 c1cc(c(c(c1)Cl)F)C(=O)O AB01929 [0,1,1,0,0,0|1,0,0]=3 768 B11R1.159 c1cc(c(c(c1)Cl)I)C(=O)O AB30453 [0,1,1,0,0,0|1,0,0]=3 769 B11R1.159 c1cc(c(c(c1)Cl)N)C(=O)O AB03731 [0,1,1,0,0,0|1,0,0]=3 770 B11R1.159 c1cc(c(c(c1)Cl)O)C(=O)N MB08413 [0,1,1,0,0,0|2,0,0]=4 771 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AB09241 [0,1,1,0,0,0|1,0,0]=3 772 B11R1.159 c1cc(c(c(c1)F)O)C(=O)N MB25617 [0,1,1,0,0,0|2,0,0]=4 773 B11R1.159 c1cc(c(c(c1)F)O)C(=O)O AB04085 [0,1,1,0,0,0|1,0,0]=3 774 B11R1.159 c1cc(c(c(c1)I)O)C(=O)N MB33272 [0,1,1,0,0,0|2,0,0]=4 775 B11R1.159 c1cc(c(c(c1)I)O)C(=O)O MB25549 [0,1,1,0,0,0|1,0,0]=3 776 B11R1.159 c1cc(c(c(c1)N)O)C(=O)N MB25600 [0,1,1,0,0,0|2,0,0]=4 777 B11R1.159 c1cc(c(c(c1)N)O)C(=O)O AB01026 [0,1,1,0,0,0|1,0,0]=3 778 B11R1.159 c1cc(c(c(c1)O)Br)C(=O)O MB08513 [0,1,1,0,0,0|1,0,0]=3 779 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)N MB27431 [0,1,1,0,0,0|2,0,0]=4 780 B11R1.159 c1cc(c(c(c1)O)Cl)C(=O)O AB50521 [0,1,1,0,0,0|1,0,0]=3 781 B11R1.159 c1cc(c(c(c1)O)F)C(=O)N MB25557 [0,1,1,0,0,0|2,0,0]=4 782 B11R1.159 c1cc(c(c(c1)O)F)C(=O)O AB10200 [0,1,1,0,0,0|1,0,0]=3 783 B11R1.159 c1cc(c(c(c1)O)I)C(=O)O MB26583 [0,1,1,0,0,0|1,0,0]=3 784 B11R1.159 c1cc(c(c(c1)O)N)C(=O)N MB36976 [0,1,1,0,0,0|2,0,0]=4 785 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,1,0,0,0|2,0,0]=4 786 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl CB10568 [0,1,1,0,0,0|2,0,0]=4 787 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F AB49339 [0,1,1,0,0,0|2,0,0]=4 788 B11R1.159 c1cnc(c(c1C(=O)O)Cl)N AB83934 [0,1,1,0,0,0|2,0,0]=4 789 B11R1.159 c1cnc(c(c1C(=O)O)Cl)O AB66802 [0,1,1,0,0,0|2,0,0]=4 790 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl AB17057 [0,1,1,0,0,0|2,0,0]=4 791 B11R1.159 c1cnc(c(c1C(=O)O)F)F PB18941 [0,1,1,0,0,0|2,0,0]=4 792 B11R1.159 c1cnc(c(c1C(=O)O)I)Br AB31097 [0,1,1,0,0,0|2,0,0]=4 793 B11R1.159 c1cnc(c(c1C(=O)O)N)Br AB71716 [0,1,1,0,0,0|2,0,0]=4 794 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl AB70618 [0,1,1,0,0,0|2,0,0]=4 795 B11R1.159 c1cnc(c(c1C(=O)O)N)N AB63396 [0,1,1,0,0,0|2,0,0]=4 796 B11R1.159 c1cnc(c(c1C(=O)O)O)Br AB69694 [0,1,1,0,0,0|2,0,0]=4 797 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl AB14198 [0,1,1,0,0,0|2,0,0]=4 798 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,1,0,0,0|2,0,0]=4 799 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,1,0,0,0|2,0,0]=4 800 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,1,0,0,0|2,0,0]=4 801 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,1,0,0,0|2,0,0]=4 802 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,1,0,0,0|2,0,0]=4 803 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,1,0,0,0|2,0,0]=4 804 B11R1.166 B(c1ccc(cc1C)Br)(O)O AB71470 [0,1,1,0,0,0|1,0,1]=4 805 B11R1.166 B(c1ccc(cc1C)C)(O)O AB12317 [0,1,1,0,0,0|1,0,1]=4 806 B11R1.166 B(c1ccc(cc1C)Cl)(O)O AB12322 [0,1,1,0,0,0|1,0,1]=4 807 B11R1.166 B(c1ccc(cc1C)F)(O)O AB10764 [0,1,1,0,0,0|1,0,1]=4 808 B11R1.166 B(c1ccc(cc1C)O)(O)O AB16000 [0,1,1,0,0,0|1,0,1]=4 809 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,1,1,0,0,0|2,0,0]=4 810 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,1,1,0,0,0|2,0,0]=4 811 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,1,0,0,0|2,0,0]=4 812 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [0,1,1,0,0,0|1,0,0]=3 813 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,1,1,0,0,0|2,0,0]=4 814 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,1,1,0,0,0|1,0,0]=3 815 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [0,1,1,0,0,0|1,0,0]=3 816 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [0,1,1,0,0,0|1,0,0]=3 817 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,1,1,0,0,0|1,0,0]=3 818 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,1,1,0,0,0|2,0,0]=4 819 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)O AB53772 [0,1,1,0,0,0|2,0,0]=4 820 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,1,1,0,0,0|2,0,0]=4 821 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,1,1,0,0,0|2,0,0]=4 822 B11R1.166 Cc1cc(c(cn1)C(=O)O)Br AB66861 [0,1,1,0,0,0|2,0,0]=4 823 B11R1.166 Cc1cc(c(cn1)C(=O)O)Cl PB14950 [0,1,1,0,0,0|2,0,0]=4 824 B11R1.166 Cc1cc(c(cn1)C(=O)O)F AB66872 [0,1,1,0,0,0|2,0,0]=4 825 B11R1.166 Cc1cc(c(cn1)C(=O)O)N PB15110 [0,1,1,0,0,0|2,0,0]=4 826 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,1,1,0,0,0|2,0,0]=4 827 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,1,0,0,0|2,0,0]=4 828 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,1,0,0,0|1,0,0]=3 829 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,1,0,0,0|2,0,0]=4 830 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,1,0,0,0|2,0,0]=4 831 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,1,0,0,0|2,0,0]=4 832 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,1,1,0,0,0|2,0,0]=4 833 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,1,1,0,0,0|1,0,0]=3 834 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Br MB00735 [0,1,1,0,0,0|1,0,1]=4 835 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,1,1,0,0,0|2,0,0]=4 836 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,1,1,0,0,0|2,0,0]=4 837 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,1,1,0,0,0|1,0,0]=3 838 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,1,1,0,0,0|1,0,0]=3 839 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,1,1,0,0,0|1,0,0]=3 840 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,1,1,0,0,0|1,0,0]=3 841 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,1,1,0,0,0|2,0,0]=4 842 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,1,1,0,0,0|2,0,0]=4 843 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,1,1,0,0,0|2,0,0]=4 844 B11R1.166 Cc1cc(ncc1C(=O)O)Br AB67818 [0,1,1,0,0,0|1,0,0]=3 845 B11R1.166 Cc1cc(ncc1C(=O)O)C AB05232 [0,1,1,0,0,0|1,0,0]=3 846 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [0,1,1,0,0,0|1,0,0]=3 847 B11R1.166 Cc1cc(ncc1C(=O)O)F AB49982 [0,1,1,0,0,0|1,0,0]=3 848 B11R1.166 Cc1cc(ncc1C(=O)O)N AB53293 [0,1,1,0,0,0|1,0,0]=3 849 B11R1.166 Cc1cc(ncc1C(=O)O)O AB65757 [0,1,1,0,0,0|1,0,0]=3 850 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,1,1,0,0,0|2,0,0]=4 851 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,1,1,0,0,0|2,0,0]=4 852 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,1,0,0,0|2,0,0]=4 853 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,1,0,0,0|1,0,0]=3 854 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,1,0,0,0|2,0,0]=4 855 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,1,0,0,0|2,0,0]=4 856 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,1,1,0,0,0|2,0,0]=4 857 B11R1.166 c1c(c(cnc1Br)C(=O)O)Cl AB67976 [0,1,1,0,0,0|2,0,0]=4 858 B11R1.166 c1c(c(cnc1Br)C(=O)O)F AB68043 [0,1,1,0,0,0|2,0,0]=4 859 B11R1.166 c1c(c(cnc1Br)C(=O)O)N AB67268 [0,1,1,0,0,0|2,0,0]=4 860 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,1,1,0,0,0|2,0,0]=4 861 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [0,1,1,0,0,0|2,0,0]=4 862 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [0,1,1,0,0,0|2,0,0]=4 863 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [0,1,1,0,0,0|2,0,0]=4 864 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,1,1,0,0,0|2,0,0]=4 865 B11R1.166 c1c(c(cnc1F)C(=O)O)Cl AB74908 [0,1,1,0,0,0|2,0,0]=4 866 B11R1.166 c1c(c(cnc1F)C(=O)O)F AB49331 [0,1,1,0,0,0|2,0,0]=4 867 B11R1.166 c1c(c(cnc1F)C(=O)O)N PB19556 [0,1,1,0,0,0|2,0,0]=4 868 B11R1.166 c1c(c(cnc1N)C(=O)O)Cl AB67979 [0,1,1,0,0,0|2,0,0]=4 869 B11R1.166 c1c(c(cnc1N)C(=O)O)N AB71881 [0,1,1,0,0,0|2,0,0]=4 870 B11R1.166 c1c(c(cnc1O)C(=O)O)Cl AB67983 [0,1,1,0,0,0|2,0,0]=4 871 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,1,1,0,0,0|2,0,0]=4 872 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,1,1,0,0,0|2,0,0]=4 873 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,1,1,0,0,0|2,0,0]=4 874 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,1,1,0,0,0|2,0,0]=4 875 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,1,1,0,0,0|2,0,0]=4 876 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,1,1,0,0,0|2,0,0]=4 877 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,1,1,0,0,0|2,0,0]=4 878 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,1,1,0,0,0|2,0,0]=4 879 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,1,1,0,0,0|2,0,0]=4 880 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,1,1,0,0,0|2,0,0]=4 881 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,1,1,0,0,0|2,0,0]=4 882 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,1,1,0,0,0|1,0,0]=3 883 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,1,1,0,0,0|1,0,0]=3 884 B11R1.166 c1cc(c(cc1Br)N)C(=O)N AB65645 [0,1,1,0,0,0|2,0,0]=4 885 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,1,1,0,0,0|1,0,0]=3 886 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,1,1,0,0,0|2,0,0]=4 887 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,1,1,0,0,0|2,0,0]=4 888 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,1,1,0,0,0|1,0,0]=3 889 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,1,1,0,0,0|1,0,0]=3 890 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,1,1,0,0,0|2,0,0]=4 891 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,1,1,0,0,0|2,0,0]=4 892 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,1,1,0,0,0|2,0,0]=4 893 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,1,1,0,0,0|1,0,0]=3 894 B11R1.166 c1cc(c(cc1O)Cl)C(=O)N MB04155 [0,1,1,0,0,0|2,0,0]=4 895 B11R1.166 c1cc(c(cc1O)F)C(=O)N MB08417 [0,1,1,0,0,0|2,0,0]=4 896 B11R1.166 c1cc(c(cc1O)I)C(=O)N MB32997 [0,1,1,0,0,0|2,0,0]=4 897 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,1,1,0,0,0|1,0,0]=3 898 B11R1.166 c1cc(c(cc1O)N)C(=O)N MB00909 [0,1,1,0,0,0|2,0,0]=4 899 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,1,1,0,0,0|1,0,0]=3 900 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [0,1,1,0,0,0|2,0,0]=4 901 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,1,1,0,0,0|2,0,0]=4 902 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [0,1,1,0,0,0|2,0,0]=4 903 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,1,1,0,0,0|2,0,0]=4 904 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [0,1,1,0,0,0|2,0,0]=4 905 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [0,1,1,0,0,0|2,0,0]=4 906 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [0,1,1,0,0,0|2,0,0]=4 907 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [0,1,1,0,0,0|2,0,0]=4 908 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,1,1,0,0,0|2,0,0]=4 909 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [0,1,1,0,0,0|2,0,0]=4 910 B11R1.167 B(c1cc(ccc1C)C)(O)O AB10384 [0,1,1,0,0,0|1,0,1]=4 911 B11R1.167 B(c1cc(ccc1C)F)(O)O AB13434 [0,1,1,0,0,0|1,0,1]=4 912 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,1,1,0,0,0|2,0,0]=4 913 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,1,1,0,0,0|2,0,0]=4 914 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,1,1,0,0,0|2,0,0]=4 915 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,1,0,0,0|2,0,0]=4 916 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,1,0,0,0|1,0,0]=3 917 B11R1.167 Cc1cc(c(cn1)Br)C(=O)O AB68165 [0,1,1,0,0,0|2,0,0]=4 918 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,1,1,0,0,0|2,0,0]=4 919 B11R1.167 Cc1cc(c(cn1)C)C(=O)O AB65165 [0,1,1,0,0,0|1,0,0]=3 920 B11R1.167 Cc1cc(c(cn1)Cl)C(=O)O AB68149 [0,1,1,0,0,0|2,0,0]=4 921 B11R1.167 Cc1cc(c(cn1)N)C(=O)O PB22731 [0,1,1,0,0,0|2,0,0]=4 922 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,1,0,0,0|2,0,0]=4 923 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,1,0,0,0|2,0,0]=4 924 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,1,0,0,0|1,0,0]=3 925 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,1,0,0,0|2,0,0]=4 926 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,1,0,0,0|2,0,0]=4 927 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,1,0,0,0|2,0,0]=4 928 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,1,0,0,0|2,0,0]=4 929 B11R1.167 Cc1ccc(c(c1)C(=O)N)O MB00262 [0,1,1,0,0,0|2,0,0]=4 930 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,1,1,0,0,0|2,0,0]=4 931 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,1,1,0,0,0|2,0,0]=4 932 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,1,1,0,0,0|2,0,0]=4 933 B11R1.167 Cc1ccc(cc1C(=N)N)F AB18355 [0,1,1,0,0,0|2,0,0]=4 934 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,1,1,0,0,0|1,0,0]=3 935 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,1,0,0,0|0,0,0]=2 936 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Br AB01864 [0,1,1,0,0,0|1,0,1]=4 937 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,1,1,0,0,0|2,0,0]=4 938 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,1,1,0,0,0|2,0,0]=4 939 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,1,1,0,0,0|2,0,0]=4 940 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,1,1,0,0,0|1,0,0]=3 941 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,1,1,0,0,0|1,0,0]=3 942 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,1,1,0,0,0|1,0,0]=3 943 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,1,1,0,0,0|2,0,0]=4 944 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,1,1,0,0,0|2,0,0]=4 945 B11R1.167 Cc1cnc(cc1C(=O)O)Cl AB67501 [0,1,1,0,0,0|1,0,0]=3 946 B11R1.167 Cc1cnc(cc1C(=O)O)F AB71348 [0,1,1,0,0,0|1,0,0]=3 947 B11R1.167 Cc1cnc(cc1C(=O)O)N AB63101 [0,1,1,0,0,0|1,0,0]=3 948 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O AB48781 [0,1,1,0,0,0|2,0,0]=4 949 B11R1.167 c1c(c(cnc1Br)Cl)C(=O)O AB66669 [0,1,1,0,0,0|2,0,0]=4 950 B11R1.167 c1c(c(cnc1Br)F)C(=O)O AB50074 [0,1,1,0,0,0|2,0,0]=4 951 B11R1.167 c1c(c(cnc1Br)N)C(=O)O PB11266 [0,1,1,0,0,0|2,0,0]=4 952 B11R1.167 c1c(c(cnc1Br)O)C(=O)O AB69281 [0,1,1,0,0,0|2,0,0]=4 953 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O AB06268 [0,1,1,0,0,0|2,0,0]=4 954 B11R1.167 c1c(c(cnc1Cl)F)C(=O)O AB20948 [0,1,1,0,0,0|2,0,0]=4 955 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O PB23467 [0,1,1,0,0,0|2,0,0]=4 956 B11R1.167 c1c(c(cnc1Cl)O)C(=O)O AB67788 [0,1,1,0,0,0|2,0,0]=4 957 B11R1.167 c1c(c(cnc1F)N)C(=O)O PB14345 [0,1,1,0,0,0|2,0,0]=4 958 B11R1.167 c1c(c(cnc1N)Br)C(=O)O AB53925 [0,1,1,0,0,0|2,0,0]=4 959 B11R1.167 c1c(c(cnc1N)Cl)C(=O)O AB72346 [0,1,1,0,0,0|2,0,0]=4 960 B11R1.167 c1c(c(cnc1N)F)C(=O)O AB72349 [0,1,1,0,0,0|2,0,0]=4 961 B11R1.167 c1c(c(cnc1N)N)C(=O)O AB83416 [0,1,1,0,0,0|2,0,0]=4 962 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,1,0,0,0|2,0,0]=4 963 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,1,0,0,0|2,0,0]=4 964 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,1,0,0,0|2,0,0]=4 965 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,1,0,0,0|2,0,0]=4 966 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,1,0,0,0|2,0,0]=4 967 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,1,0,0,0|2,0,0]=4 968 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,1,0,0,0|2,0,0]=4 969 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,1,0,0,0|2,0,0]=4 970 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,1,0,0,0|2,0,0]=4 971 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,1,0,0,0|2,0,0]=4 972 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,1,0,0,0|2,0,0]=4 973 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,1,0,0,0|2,0,0]=4 974 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,1,0,0,0|2,0,0]=4 975 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,1,0,0,0|2,0,0]=4 976 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,1,0,0,0|2,0,0]=4 977 B11R1.167 c1cc(c(cc1Br)C(=O)N)N MB03086 [0,1,1,0,0,0|2,0,0]=4 978 B11R1.167 c1cc(c(cc1Br)C(=O)O)F AB03871 [0,1,1,0,0,0|1,0,0]=3 979 B11R1.167 c1cc(c(cc1Cl)C(=O)O)F AB06694 [0,1,1,0,0,0|1,0,0]=3 980 B11R1.167 c1cc(c(cc1F)C(=O)N)O MB12068 [0,1,1,0,0,0|2,0,0]=4 981 B11R1.167 c1cc(c(cc1F)C(=O)O)Br AB03824 [0,1,1,0,0,0|1,0,0]=3 982 B11R1.167 c1cc(c(cc1F)C(=O)O)Cl AB04161 [0,1,1,0,0,0|1,0,0]=3 983 B11R1.167 c1cc(c(cc1I)C(=O)N)O MB04152 [0,1,1,0,0,0|2,0,0]=4 984 B11R1.167 c1cc(c(cc1I)C(=O)O)Br CB10208 [0,1,1,0,0,0|1,0,0]=3 985 B11R1.167 c1cc(c(cc1N)C(=O)N)O MB13625 [0,1,1,0,0,0|2,0,0]=4 986 B11R1.167 c1cc(c(cc1N)C(=O)O)Cl CB10057 [0,1,1,0,0,0|1,0,0]=3 987 B11R1.167 c1cc(c(cc1O)C(=O)N)Br MB29532 [0,1,1,0,0,0|2,0,0]=4 988 B11R1.167 c1cc(c(cc1O)C(=O)N)Cl MB35104 [0,1,1,0,0,0|2,0,0]=4 989 B11R1.167 c1cc(c(cc1O)C(=O)N)F MB36923 [0,1,1,0,0,0|2,0,0]=4 990 B11R1.167 c1cc(c(cc1O)C(=O)N)I MB32389 [0,1,1,0,0,0|2,0,0]=4 991 B11R1.167 c1cc(c(cc1O)C(=O)N)N MB13629 [0,1,1,0,0,0|2,0,0]=4 992 B11R1.167 c1cc(c(cc1O)C(=O)O)Br MB04161 [0,1,1,0,0,0|1,0,0]=3 993 B11R1.167 c1cc(c(cc1O)C(=O)O)Cl CB10774 [0,1,1,0,0,0|1,0,0]=3 994 B11R1.167 c1cc(c(cc1O)C(=O)O)I MB01071 [0,1,1,0,0,0|1,0,0]=3 995 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,1,1,0,0,0|2,0,0]=4 996 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,1,1,0,0,0|2,0,0]=4 997 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,1,1,0,0,0|2,0,0]=4 998 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,1,1,0,0,0|2,0,0]=4 999 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,1,1,0,0,0|2,0,0]=4 1000 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,1,1,0,0,0|2,0,0]=4 1001 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,1,1,0,0,0|2,0,0]=4 1002 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,1,1,0,0,0|2,0,0]=4 1003 B11R2.10 Cn1cc2ccccc2n1 PB15684 [1,1,0,0,0,0|2,0,0]=4 1004 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,1,0,0,0,0|2,0,0]=4 1005 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [1,1,0,0,0,0|1,0,1]=4 1006 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [1,1,0,0,0,0|1,0,1]=4 1007 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [1,1,0,0,0,0|1,0,1]=4 1008 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,1,0,0,0,0|2,0,0]=4 1009 B11R2.36 C1NC=C2N1C=C(C=C2)Br AB41249 [1,1,0,0,0,0|2,0,0]=4 1010 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [1,1,0,0,0,0|1,0,1]=4 1011 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [1,1,0,0,0,0|2,0,0]=4 1012 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [1,1,0,0,0,0|2,0,0]=4 1013 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [1,1,0,0,0,0|2,0,0]=4 1014 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [1,1,0,0,0,0|2,0,0]=4 1015 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,1,0,0,0,0|2,0,0]=4 1016 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,1,0,0,0,0|2,0,0]=4 1017 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,1,0,0,0,0|2,0,0]=4 1018 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [1,1,0,0,0,0|2,0,0]=4 1019 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [1,1,0,0,0,0|1,0,1]=4 1020 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [1,1,0,0,0,0|1,0,1]=4 1021 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [1,1,0,0,0,0|2,0,0]=4 1022 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,1,0,0,0,0|2,0,0]=4 1023 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [1,1,0,0,0,0|2,0,0]=4 1024 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [1,1,0,0,0,0|1,0,0]=3 1025 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [1,1,0,0,0,0|1,0,1]=4 1026 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [1,1,0,0,0,0|2,0,0]=4 1027 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [1,1,0,0,0,0|1,0,0]=3 1028 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [1,1,0,0,0,0|2,0,0]=4 1029 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [1,1,0,0,0,0|1,0,1]=4 1030 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [1,1,0,0,0,0|2,0,0]=4 1031 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [1,1,0,0,0,0|1,0,1]=4 1032 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [1,1,0,0,0,0|1,0,1]=4 1033 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [1,1,0,0,0,0|2,0,0]=4 1034 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [1,1,0,0,0,0|1,0,1]=4 1035 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [1,1,0,0,0,0|2,0,0]=4 1036 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [1,1,0,0,0,0|2,0,0]=4 1037 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,1,0,0,0,0|2,0,0]=4 1038 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [1,1,0,0,0,0|2,0,0]=4 1039 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,1,0,0,0,0|2,0,0]=4 1040 B11R2.36 c1cc2c(cco2)cc1F AB43937 [1,1,0,0,0,0|2,0,0]=4 1041 B11R2.36 c1cc2c(cco2)cc1N AB20798 [1,1,0,0,0,0|2,0,0]=4 1042 B11R2.36 c1cc2c(cco2)cc1O MB08821 [1,1,0,0,0,0|2,0,0]=4 1043 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [1,1,0,0,0,0|2,0,0]=4 1044 B11R2.36 c1cc2cnoc2cc1Br AB25994 [1,1,0,0,0,0|2,0,0]=4 1045 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [1,1,0,0,0,0|2,0,0]=4 1046 B11R2.36 c1cc2cnoc2cc1N AB26008 [1,1,0,0,0,0|2,0,0]=4 1047 B11R2.36 c1cc2cnsc2cc1Br MB19419 [1,1,0,0,0,0|2,0,0]=4 1048 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [1,1,0,0,0,0|2,0,0]=4 1049 B11R2.36 c1cc2conc2cc1Br MB19398 [1,1,0,0,0,0|1,0,0]=3 1050 B11R2.36 c1cc2conc2cc1Cl MB19396 [1,1,0,0,0,0|1,0,0]=3 1051 B11R2.106 Cc1cccc2c1CCN2 MB06155 [1,1,0,0,0,0|2,0,0]=4 1052 B11R2.106 Cc1cccc2c1CNC2 MB06843 [1,1,0,0,0,0|1,0,1]=4 1053 B11R2.106 Cc1cccc2c1NCC2 MB04566 [1,1,0,0,0,0|2,0,0]=4 1054 B11R2.106 Cc1cccc2c1occ2 MB00742 [1,1,0,0,0,0|2,0,0]=4 1055 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [1,1,0,0,0,0|2,0,0]=4 1056 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [1,1,0,0,0,0|2,0,0]=4 1057 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [1,1,0,0,0,0|2,0,0]=4 1058 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [1,1,0,0,0,0|2,0,0]=4 1059 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [1,1,0,0,0,0|2,0,0]=4 1060 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [1,1,0,0,0,0|1,0,1]=4 1061 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [1,1,0,0,0,0|1,0,1]=4 1062 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [1,1,0,0,0,0|2,0,0]=4 1063 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [1,1,0,0,0,0|1,0,1]=4 1064 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [1,1,0,0,0,0|1,0,1]=4 1065 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [1,1,0,0,0,0|1,0,1]=4 1066 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [1,1,0,0,0,0|1,0,1]=4 1067 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [1,1,0,0,0,0|1,0,1]=4 1068 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [1,1,0,0,0,0|2,0,0]=4 1069 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [1,1,0,0,0,0|2,0,0]=4 1070 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [1,1,0,0,0,0|1,0,1]=4 1071 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [1,1,0,0,0,0|2,0,0]=4 1072 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [1,1,0,0,0,0|2,0,0]=4 1073 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [1,1,0,0,0,0|2,0,0]=4 1074 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [1,1,0,0,0,0|2,0,0]=4 1075 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [1,1,0,0,0,0|2,0,0]=4 1076 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [1,1,0,0,0,0|2,0,0]=4 1077 B13R2.57 c1ccc2c(c1)C=C(CO2)C=O AB09669 [0,1,0,0,0,1|2,0,0]=4 1078 B13R2.57 c1ccc2c(c1)cc(cn2)C=O AB00811 [0,1,0,0,0,1|2,0,0]=4 1079 B13R2.57 c1ccc2c(c1)cnc(n2)C=O AB60727 [0,1,0,0,0,1|1,0,1]=4 1080 B13R2.57 c1ccc2c(c1)ncc(n2)C=O CB10349 [0,1,0,0,0,1|2,0,0]=4 1081 B13R2.57 c1ccc2cnc(cc2c1)C=O AB23480 [0,1,0,0,0,1|1,0,1]=4 1082 B13R2.155 Cc1cc2c(cn1)CNC(=O)C2 AB77276 [0,1,0,0,0,1|2,0,0]=4 1083 B13R2.155 Cc1cc2c(nc1)CCC(=O)C2 AB61018 [0,1,0,0,0,1|2,0,0]=4 1084 B13R2.155 Cc1ccc2c(c1)CC(=O)N=C2 MB08960 [0,1,0,0,0,1|1,0,1]=4 1085 B13R2.155 Cc1ccc2c(c1)NC(=O)CO2 AB09061 [0,1,0,0,0,1|2,0,0]=4 1086 B13R2.155 Cc1ccc2c(n1)CC(=O)NC2 AB77215 [0,1,0,0,0,1|2,0,0]=4 1087 B13R2.155 Cc1ccc2c(n1)NC(=O)CC2 AB70359 [0,1,0,0,0,1|2,0,0]=4 1088 B13R2.155 Cc1ccc2ccc(=O)[nH]c2c1 MB10586 [0,1,0,0,0,1|1,0,1]=4 1089 B13R2.155 c1c(cnc2c1CC(=O)CC2)Br AB69367 [0,1,0,0,0,1|2,0,0]=4 1090 B13R2.155 c1c(cnc2c1CC(=O)CC2)Cl AB61013 [0,1,0,0,0,1|2,0,0]=4 1091 B13R2.155 c1c(cnc2c1CC(=O)CC2)F AB68743 [0,1,0,0,0,1|2,0,0]=4 1092 B13R2.155 c1c2c(cnc1Br)CNC(=O)C2 AB77278 [0,1,0,0,0,1|2,0,0]=4 1093 B13R2.155 c1c2c(cnc1Cl)CNC(=O)C2 AB77277 [0,1,0,0,0,1|2,0,0]=4 1094 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Br MB07515 [0,1,0,0,0,1|1,0,1]=4 1095 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)Cl MB02526 [0,1,0,0,0,1|1,0,1]=4 1096 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O MB03359 [0,1,0,0,0,1|1,0,1]=4 1097 B13R2.155 c1cc(nc2c1CNC(=O)C2)Br AB77208 [0,1,0,0,0,1|2,0,0]=4 1098 B13R2.155 c1cc(nc2c1CNC(=O)C2)Cl AB77210 [0,1,0,0,0,1|2,0,0]=4 1099 B13R2.155 c1cc2c(cc1Br)CC(=O)CC2 AB17100 [0,1,0,0,0,1|1,0,0]=3 1100 B13R2.155 c1cc2c(cc1Br)CC(=O)CO2 AB56614 [0,1,0,0,0,1|2,0,0]=4 1101 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AB06108 [0,1,0,0,0,1|2,0,0]=4 1102 B13R2.155 c1cc2c(cc1Br)[nH]c(=O)cn2 AB09151 [0,1,0,0,0,1|2,0,0]=4 1103 B13R2.155 c1cc2c(cc1Cl)CC(=O)CC2 AB17122 [0,1,0,0,0,1|1,0,0]=3 1104 B13R2.155 c1cc2c(cc1Cl)CC(=O)CO2 AB56616 [0,1,0,0,0,1|2,0,0]=4 1105 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AB04397 [0,1,0,0,0,1|2,0,0]=4 1106 B13R2.155 c1cc2c(cc1F)CC(=O)CC2 AB17129 [0,1,0,0,0,1|1,0,0]=3 1107 B13R2.155 c1cc2c(cc1F)CC(=O)CO2 AB56620 [0,1,0,0,0,1|2,0,0]=4 1108 B13R2.155 c1cc2c(cc1F)NC(=O)CO2 AB14546 [0,1,0,0,0,1|2,0,0]=4 1109 B13R2.155 c1cc2c(cc1I)NC(=O)CO2 MB04727 [0,1,0,0,0,1|2,0,0]=4 1110 B13R2.155 c1cc2c(cc1N)CC(=O)CC2 AB21791 [0,1,0,0,0,1|1,0,0]=3 1111 B13R2.155 c1cc2c(cc1N)NC(=O)CC2 MB04272 [0,1,0,0,0,1|1,0,0]=3 1112 B13R2.155 c1cc2c(cc1O)CC(=O)CC2 AB17138 [0,1,0,0,0,1|1,0,0]=3 1113 B13R2.155 c1cc2c(cc1O)NC(=O)CC2 AB25068 [0,1,0,0,0,1|1,0,0]=3 1114 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AB64531 [0,1,0,0,0,1|2,0,0]=4 1115 B13R2.162 Cc1cccc2c1NC(=O)CC2 MB01240 [0,1,0,0,0,1|1,0,0]=3 1116 B13R2.162 Cc1cccc2c1NC(=O)CO2 AB65924 [0,1,0,0,0,1|2,0,0]=4 1117 B13R2.162 c1c2c(c(cn1)Br)NC(=O)CC2 CB11082 [0,1,0,0,0,1|2,0,0]=4 1118 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)N MB09230 [0,1,0,0,0,1|2,0,0]=4 1119 B13R2.162 c1cc(c2c(c1)OCC(=O)N2)O MB08401 [0,1,0,0,0,1|2,0,0]=4 1120 B13R2.162 c1cc2c(c(c1)Br)CC(=O)CC2 AB13241 [0,1,0,0,0,1|1,0,0]=3 1121 B13R2.162 c1cc2c(c(c1)Br)NC(=O)CO2 AB72665 [0,1,0,0,0,1|2,0,0]=4 1122 B13R2.162 c1cc2c(c(c1)Cl)CC(=O)CC2 AB17123 [0,1,0,0,0,1|1,0,0]=3 1123 B13R2.162 c1cc2c(c(c1)Cl)NC(=O)CO2 AB65030 [0,1,0,0,0,1|2,0,0]=4 1124 B13R2.162 c1cc2c(c(c1)F)CC(=O)CC2 AB17130 [0,1,0,0,0,1|1,0,0]=3 1125 B13R2.162 c1cc2c(c(c1)O)NC(=O)CC2 AB22449 [0,1,0,0,0,1|1,0,0]=3 1126 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Br MB06618 [0,1,0,0,0,1|1,0,1]=4 1127 B13R2.162 c1cc2ccc(=O)[nH]c2c(c1)Cl MB10595 [0,1,0,0,0,1|1,0,1]=4 1128 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,1,0,0,0,1|1,0,0]=3 1129 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,1,0,0,0,1|2,0,0]=4 1130 B13R2.328 c1cc2c([nH]c(=O)oc2=O)nc1 CB11334 [0,1,0,0,0,1|1,0,1]=4 1131 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [0,1,0,0,0,1|1,0,1]=4 1132 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [0,1,0,0,0,1|1,0,1]=4 1133 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,1,0,0,0,1|1,0,1]=4 1134 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,1,0,0,0,1|1,0,1]=4 1135 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,1,0,0,0,1|2,0,0]=4 1136 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,1,0,0,0,1|1,0,0]=3 1137 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,1,0,0,0,1|2,0,0]=4 1138 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,1,0,0,0,1|2,0,0]=4 1139 B13R2.369 c1ccc2=NC(=O)C(C=c2c1)Br MB06803 [0,1,0,0,0,1|1,0,1]=4 1140 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)Cl PB24182 [0,1,0,0,0,1|2,0,0]=4 1141 B13R2.369 c1ccc2=NC(=O)C(N=c2c1)N PB34919 [0,1,0,0,0,1|2,0,0]=4 1142 B13R2.3683 Cc1cc2c(cn1)CC(=O)NC2 AB77252 [0,1,0,0,0,1|2,0,0]=4 1143 B13R2.3683 Cc1ccc2=NC(=O)CC=c2c1 AB43959 [0,1,0,0,0,1|1,0,1]=4 1144 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,1,0,0,0,1|2,0,0]=4 1145 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,1,0,0,0,1|2,0,0]=4 1146 B13R2.3683 Cc1ccc2c(n1)CCC(=O)C2 AB61021 [0,1,0,0,0,1|2,0,0]=4 1147 B13R2.3683 c1c(cnc2c1CCC(=O)N2)Br AB22237 [0,1,0,0,0,1|2,0,0]=4 1148 B13R2.3683 c1c(cnc2c1CNC(=O)C2)Br AB77207 [0,1,0,0,0,1|2,0,0]=4 1149 B13R2.3683 c1c(cnc2c1CNC(=O)C2)Cl AB77206 [0,1,0,0,0,1|2,0,0]=4 1150 B13R2.3683 c1c(cnc2c1COC(=O)N2)Br AB65272 [0,1,0,0,0,1|1,0,0]=3 1151 B13R2.3683 c1c2c(cnc1Br)CC(=O)NC2 AB77248 [0,1,0,0,0,1|2,0,0]=4 1152 B13R2.3683 c1c2c(cnc1Cl)CC(=O)NC2 AB77246 [0,1,0,0,0,1|2,0,0]=4 1153 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Br AB74009 [0,1,0,0,0,1|2,0,0]=4 1154 B13R2.3683 c1cc(nc2c1CC(=O)CC2)Cl AB74006 [0,1,0,0,0,1|2,0,0]=4 1155 B13R2.3683 c1cc(nc2c1CC(=O)CC2)N AB74012 [0,1,0,0,0,1|2,0,0]=4 1156 B13R2.3683 c1cc(nc2c1CC(=O)CC2)O AB61025 [0,1,0,0,0,1|2,0,0]=4 1157 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,1,0,0,0,1|1,0,1]=4 1158 B13R2.3683 c1cc2=NC(=O)CC=c2cc1F AB43955 [0,1,0,0,0,1|1,0,1]=4 1159 B13R2.3683 c1cc2=NC(=O)CC=c2cc1N MB01653 [0,1,0,0,0,1|1,0,1]=4 1160 B13R2.3683 c1cc2=NC(=O)CC=c2cc1O AB16464 [0,1,0,0,0,1|1,0,1]=4 1161 B13R2.3683 c1cc2c(cc1Br)CCC(=O)C2 AB05455 [0,1,0,0,0,1|1,0,0]=3 1162 B13R2.3683 c1cc2c(cc1Br)CCC(=S)N2 AB43954 [0,1,0,0,0,1|1,1,0]=4 1163 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,1,0,0,0,1|2,0,0]=4 1164 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [0,1,0,0,0,1|2,0,0]=4 1165 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,1,0,0,0,1|1,0,0]=3 1166 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,1,0,0,0,1|2,0,0]=4 1167 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [0,1,0,0,0,1|2,0,0]=4 1168 B13R2.3683 c1cc2c(cc1F)CCC(=O)C2 AB12639 [0,1,0,0,0,1|1,0,0]=3 1169 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,1,0,0,0,1|2,0,0]=4 1170 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [0,1,0,0,0,1|2,0,0]=4 1171 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [0,1,0,0,0,1|2,0,0]=4 1172 B13R2.3683 c1cc2c(cc1N)CCC(=O)N2 AB06458 [0,1,0,0,0,1|1,0,0]=3 1173 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [0,1,0,0,0,1|2,0,0]=4 1174 B13R2.3683 c1cc2c(cc1O)CCC(=O)C2 MB03486 [0,1,0,0,0,1|1,0,0]=3 1175 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,1,0,0,0,1|2,0,0]=4 1176 B13R2.5179 Cc1c2c(ccn1)CC(=O)NC2 AB77272 [0,1,0,0,0,1|2,0,0]=4 1177 B13R2.5179 Cc1cccc2c1OCC(=O)N2 AB53068 [0,1,0,0,0,1|2,0,0]=4 1178 B13R2.5179 c1cc(c2c(c1)NC(=O)CO2)N MB08392 [0,1,0,0,0,1|2,0,0]=4 1179 B13R2.5179 c1cc2c(c(c1)Br)CCC(=O)C2 AB17098 [0,1,0,0,0,1|1,0,0]=3 1180 B13R2.5179 c1cc2c(c(c1)Br)OCC(=O)N2 AB50082 [0,1,0,0,0,1|2,0,0]=4 1181 B13R2.5179 c1cc2c(c(c1)Cl)CCC(=O)C2 AB17118 [0,1,0,0,0,1|1,0,0]=3 1182 B13R2.5179 c1cc2c(c(c1)Cl)OCC(=O)N2 AB43540 [0,1,0,0,0,1|2,0,0]=4 1183 B13R2.5179 c1cc2c(c(c1)F)CCC(=O)C2 AB17125 [0,1,0,0,0,1|1,0,0]=3 1184 B13R2.5179 c1cc2c(c(c1)F)OCC(=O)N2 AB53069 [0,1,0,0,0,1|2,0,0]=4 1185 B13R2.5179 c1cc2c(c(c1)O)CCC(=O)C2 MB03115 [0,1,0,0,0,1|1,0,0]=3 1186 B13R2.5179 c1cc2c(c(c1)O)OCC(=O)N2 AB65028 [0,1,0,0,0,1|2,0,0]=4 1187 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)Br MB09288 [0,1,0,0,0,1|1,0,1]=4 1188 B13R2.5179 c1cc2c(ccc(=O)[nH]2)c(c1)O MB02360 [0,1,0,0,0,1|1,0,1]=4 1189 B13R2.5179 c1cnc(c2c1CC(=O)NC2)Br AB77268 [0,1,0,0,0,1|2,0,0]=4 1190 B13R2.5179 c1cnc(c2c1CC(=O)NC2)Cl AB77267 [0,1,0,0,0,1|2,0,0]=4 1191 B13R2.5179 c1cnc(c2c1NC(=O)CC2)Cl AB73018 [0,1,0,0,0,1|2,0,0]=4 1192 B13R2.342 Cc1cccc2c1CCCC2=O MB05378 [0,1,0,0,0,1|1,0,0]=3 1193 B13R2.342 c1c2c(c(cn1)Br)CCNC2=O AB73838 [0,1,0,0,0,1|2,0,0]=4 1194 B13R2.342 c1c2c(c(cn1)Cl)CCNC2=O AB73841 [0,1,0,0,0,1|2,0,0]=4 1195 B13R2.342 c1cc2c(c(c1)Br)CCCC2=O AB11083 [0,1,0,0,0,1|1,0,0]=3 1196 B13R2.342 c1cc2c(c(c1)Br)CCNC2=O AB64743 [0,1,0,0,0,1|1,0,0]=3 1197 B13R2.342 c1cc2c(c(c1)Br)NCCC2=O AB52854 [0,1,0,0,0,1|1,0,0]=3 1198 B13R2.342 c1cc2c(c(c1)Br)nc[nH]c2=O MB08801 [0,1,0,0,0,1|1,0,1]=4 1199 B13R2.342 c1cc2c(c(c1)Cl)CCCC2=O AB45800 [0,1,0,0,0,1|1,0,0]=3 1200 B13R2.342 c1cc2c(c(c1)Cl)CCNC2=O AB19152 [0,1,0,0,0,1|1,0,0]=3 1201 B13R2.342 c1cc2c(c(c1)Cl)NCCC2=O AB06526 [0,1,0,0,0,1|1,0,0]=3 1202 B13R2.342 c1cc2c(c(c1)Cl)nc[nH]c2=O MB08808 [0,1,0,0,0,1|1,0,1]=4 1203 B13R2.342 c1cc2c(c(c1)F)CCCC2=O AB43579 [0,1,0,0,0,1|1,0,0]=3 1204 B13R2.342 c1cc2c(c(c1)F)CCNC2=O AB19155 [0,1,0,0,0,1|1,0,0]=3 1205 B13R2.342 c1cc2c(c(c1)I)NCCC2=O AB43972 [0,1,0,0,0,1|1,0,0]=3 1206 B13R2.342 c1cc2c(c(c1)N)CCCC2=O MB05790 [0,1,0,0,0,1|1,0,0]=3 1207 B13R2.342 c1cc2c(c(c1)N)CCNC2=O AB53700 [0,1,0,0,0,1|1,0,0]=3 1208 B13R2.342 c1cc2c(c(c1)N)CCNC2=O MB05527 [0,1,0,0,0,1|1,0,0]=3 1209 B13R2.342 c1cc2c(c(c1)O)CCCC2=O MB00107 [0,1,0,0,0,1|1,0,0]=3 1210 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Br AB64049 [0,1,0,0,0,1|1,0,1]=4 1211 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)Cl AB64608 [0,1,0,0,0,1|1,0,1]=4 1212 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)N PB32405 [0,1,0,0,0,1|1,0,1]=4 1213 B13R2.342 c1cc2c(cc[nH]c2=O)c(c1)O MB01281 [0,1,0,0,0,1|1,0,1]=4 1214 B13R2.342 c1cnc(c2c1C(=O)NCC2)Br AB77228 [0,1,0,0,0,1|2,0,0]=4 1215 B13R2.342 c1cnc(c2c1C(=O)NCC2)Cl AB77225 [0,1,0,0,0,1|2,0,0]=4 1216 B13R2.342 c1cnc2c(c1Br)CCCC2=O AB68951 [0,1,0,0,0,1|2,0,0]=4 1217 B13R2.342 c1cnc2c(c1Cl)CCCC2=O AB68950 [0,1,0,0,0,1|2,0,0]=4 1218 B13R2.371 CC1CNC(=O)c2c1cccc2 AB19151 [0,1,0,0,0,1|1,0,0]=3 1219 B13R2.371 Cc1c2ccccc2c(=O)[nH]n1 MB00345 [0,1,0,0,0,1|1,0,1]=4 1220 B13R2.1613 COC1=NCCc2c1cccc2 AB52999 [0,1,0,0,0,1|1,0,1]=4 1221 B13R2.1613 c1ccc2c(c1)c(ncn2)C=O AB59129 [0,1,0,0,0,1|1,0,1]=4 1222 B13R2.1613 c1ccc2c(c1)ccnc2C=O AB28067 [0,1,0,0,0,1|1,0,1]=4 1223 B13R2.1613 c1ccc2c(c1)cncc2C=O MB01497 [0,1,0,0,0,1|1,0,1]=4 1224 B13R2.4818 Cc1cccc2c1C(=O)CCN2 AB60322 [0,1,0,0,0,1|1,0,0]=3 1225 B13R2.4818 Cc1cccc2c1c(=O)[nH]cn2 MB06116 [0,1,0,0,0,1|1,0,1]=4 1226 B13R2.4818 c1cc2c(c(c1)Br)C(=O)NCC2 AB65453 [0,1,0,0,0,1|1,0,0]=3 1227 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCC2 CB10954 [0,1,0,0,0,1|1,0,0]=3 1228 B13R2.4818 c1cc2c(c(c1)Cl)C(=O)CCN2 AB60319 [0,1,0,0,0,1|1,0,0]=3 1229 B13R2.4818 c1cc2c(c(c1)N)C(=O)CCC2 MB05386 [0,1,0,0,0,1|1,0,0]=3 1230 B13R2.4818 c1cc2c(c(c1)N)C(=O)NCC2 AB73861 [0,1,0,0,0,1|1,0,0]=3 1231 B13R2.4818 c1cnc(c2c1CCNC2=O)Br AB77265 [0,1,0,0,0,1|2,0,0]=4 1232 B13R2.4818 c1cnc(c2c1CCNC2=O)Cl AB76695 [0,1,0,0,0,1|2,0,0]=4 1233 B13R2.72 CC(=O)C1=c2ccccc2=NC1 AB00460 [0,2,0,0,0,0|2,0,0]=4 1234 B13R2.72 c1ccc2c(c1)CCC2C(=O)O AB01304 [0,2,0,0,0,0|1,0,1]=4 1235 B13R2.72 c1ccc2c(c1)CNC2C(=O)O AB08706 [0,2,0,0,0,0|1,0,1]=4 1236 B13R2.72 c1ccc2c(c1)c(co2)C(=O)O AB07951 [0,2,0,0,0,0|2,0,0]=4 1237 B13R2.72 c1ccc2c(c1)c(no2)C(=O)O AB26306 [0,2,0,0,0,0|2,0,0]=4 1238 B13R2.72 c1ccc2c(c1)c(ns2)C(=O)O AB09662 [0,2,0,0,0,0|2,0,0]=4 1239 B13R2.2136 Cc1ccc2c(c1)c(co2)C=O MB10419 [0,2,0,0,0,0|2,0,0]=4 1240 B13R2.2136 c1cc2c(cc1Br)c(co2)C=O MB10418 [0,2,0,0,0,0|2,0,0]=4 1241 B13R2.2931 Cn1c2ccccc2c(n1)C=O PB10491 [0,2,0,0,0,0|2,0,0]=4 1242 B13R2.3028 CC1Cc2ccc(cc2C1=O)F MB00358 [0,2,0,0,0,0|1,0,0]=3 1243 B13R2.3028 CN1Cc2ccc(cc2C1=O)N PB22663 [0,2,0,0,0,0|1,0,0]=3 1244 B13R2.3085 c1ccc2c(c1)C(=O)N(C2=O)O AB00534 [0,2,0,0,0,0|1,0,1]=4 1245 B13R2.4825 CN1Cc2c(cccc2N)C1=O PB35161 [0,2,0,0,0,0|1,0,0]=3 1246 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,2,0,0,0,0|2,0,0]=4 1247 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,2,0,0,0,0|2,0,0]=4 1248 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,2,0,0,0,0|2,0,0]=4 1249 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,2,0,0,0,0|2,0,0]=4 1250 B13R2.4856 CN1Cc2cccc(c2C1=O)N PB33127 [0,2,0,0,0,0|1,0,0]=3 1251 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,2,0,0,0,0|2,0,0]=4 1252 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,2,0,0,0,0|2,0,0]=4 1253 B13R2.5190 CN1Cc2cc(ccc2C1=O)N PB27124 [0,2,0,0,0,0|1,0,0]=3 1254 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,2,0,0,0,0|2,0,0]=4 1255 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,2,0,0,0,0|2,0,0]=4 1256 B13R2.669 COc1cc2c(cn1)CNC2=O AB75341 [0,2,0,0,0,0|2,0,0]=4 1257 B13R2.669 COc1ccc2c(c1)C(=O)CO2 AB45799 [0,2,0,0,0,0|2,0,0]=4 1258 B13R2.669 COc1ccc2c(c1)C(=O)N=N2 AB60845 [0,2,0,0,0,0|2,0,0]=4 1259 B13R2.669 COc1ccc2c(c1)C(=O)OC2 MB00644 [0,2,0,0,0,0|0,0,0]=2 1260 B13R2.669 CSc1ccc2c(c1)C(=O)CC2 AB44851 [0,2,0,0,0,0|1,0,0]=3 1261 B13R2.669 c1cc2c(cc1C#N)C(=O)CC2 MB02308 [0,2,0,0,0,0|1,0,0]=3 1262 B13R2.669 c1cc2c(cc1C=O)C(=O)NC2 AB74383 [0,2,0,0,0,0|1,0,0]=3 1263 B13R2.669 c1cc2c(cc1CN)C(=O)NC2 PB30477 [0,2,0,0,0,0|1,0,0]=3 1264 B13R2.3742 Cc1cc(cc2c1CCC2=O)F MB06887 [0,2,0,0,0,0|1,0,0]=3 1265 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Br)F MB06885 [0,2,0,0,0,0|1,0,0]=3 1266 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)Cl AB44852 [0,2,0,0,0,0|1,0,0]=3 1267 B13R2.3742 c1c(cc(c2c1C(=O)CC2)Cl)F AB49514 [0,2,0,0,0,0|1,0,0]=3 1268 B13R2.3742 c1c(cc(c2c1C(=O)CC2)F)Cl AB66378 [0,2,0,0,0,0|1,0,0]=3 1269 B13R2.3742 c1c(cc(c2c1C(=O)CC2)F)F AB21236 [0,2,0,0,0,0|1,0,0]=3 1270 B13R2.3742 c1c(cc(c2c1C(=O)CO2)Cl)Cl MB06384 [0,2,0,0,0,0|2,0,0]=4 1271 B13R2.3742 c1c(cc(c2c1C(=O)CO2)F)F MB06390 [0,2,0,0,0,0|2,0,0]=4 1272 B13R2.3790 c1cc(c(c2c1CNC2=O)F)F AB74379 [0,2,0,0,0,0|1,0,0]=3 1273 B13R2.3790 c1cc(c(c2c1CNC2=O)F)N CB12098 [0,2,0,0,0,0|1,0,0]=3 1274 B13R2.5187 c1c(cnc2c1C(=O)OC2=O)Br PB24218 [0,2,0,0,0,0|1,0,1]=4 1275 B13R2.5187 c1cc2c(cc1Br)C(=O)NC2=O PB30646 [0,2,0,0,0,0|1,0,1]=4 1276 B13R2.5187 c1cc2c(cc1Br)C(=O)OC2=O PB33839 [0,2,0,0,0,0|0,0,1]=3 1277 B13R2.5187 c1cc2c(cc1Br)C(NC2=O)O AB50380 [0,2,0,0,0,0|1,0,0]=3 1278 B13R2.11634 c1c2c(cc(c1Br)N)C(=O)CC2 MB05913 [0,2,0,0,0,0|1,0,0]=3 1279 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 AB49372 [0,2,0,0,0,0|1,0,0]=3 1280 B13R2.11634 c1c2c(cc(c1Cl)F)C(=O)CC2 AB70079 [0,2,0,0,0,0|1,0,0]=3 1281 B13R2.11634 c1c2c(cc(c1F)Cl)C(=O)CC2 AB65643 [0,2,0,0,0,0|1,0,0]=3 1282 B13R2.11634 c1c2c(cc(c1F)F)C(=O)CC2 AB42242 [0,2,0,0,0,0|1,0,0]=3 1283 B13R2.573 COc1cccc2c1CNC2=O AB51007 [0,2,0,0,0,0|1,0,0]=3 1284 B13R2.573 COc1cccc2c1OCC2=O MB01147 [0,2,0,0,0,0|2,0,0]=4 1285 B13R2.573 c1cc(c2c(c1)C(=O)CC2)C#N MB01705 [0,2,0,0,0,0|1,0,0]=3 1286 B13R2.573 c1cc(c2c(c1)C(=O)NC2)C=O AB74386 [0,2,0,0,0,0|1,0,0]=3 1287 B13R2.4857 c1cc2c(c(c1)N)C(NC2=O)O AB63853 [0,2,0,0,0,0|1,0,0]=3 1288 B13R2.5151 Cc1ccc(c2c1CNC2=O)N AB63855 [0,2,0,0,0,0|1,0,0]=3 1289 B13R2.5151 c1cc(c2c(c1F)CCC2=O)F AB42243 [0,2,0,0,0,0|1,0,0]=3 1290 B13R2.5151 c1cc(c2c(c1N)C(=O)NC2)Br AB63856 [0,2,0,0,0,0|1,0,0]=3 1291 B13R2.5151 c1cc(c2c(c1O)CCC2=O)Cl MB02134 [0,2,0,0,0,0|1,0,0]=3 1292 B13R2.5180 c1cc(c(c2c1C(=O)CC2)Cl)Cl AB70127 [0,2,0,0,0,0|1,0,0]=3 1293 B13R2.5180 c1cc(c(c2c1C(=O)CC2)F)F AB42240 [0,2,0,0,0,0|1,0,0]=3 1294 B13R2.582 COc1cccc2c1C(=O)CC2 AB42918 [0,2,0,0,0,0|1,0,0]=3 1295 B13R2.582 COc1cccc2c1C(=O)NC2 AB63860 [0,2,0,0,0,0|1,0,0]=3 1296 B13R2.11642 c1c(cc(c2c1CCC2=O)F)F AB54726 [0,2,0,0,0,0|1,0,0]=3 1297 B13R2.11642 c1c(cc(c2c1CNC2=O)F)Br AB65728 [0,2,0,0,0,0|1,0,0]=3 1298 B13R2.2130 COc1cc2c(cn1)C(=O)NC2 AB77330 [0,2,0,0,0,0|2,0,0]=4 1299 B13R2.2130 COc1ccc2c(c1)CNC2=O AB45189 [0,2,0,0,0,0|1,0,0]=3 1300 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,2,0,0,0,0|2,0,0]=4 1301 B13R2.2130 COc1ccc2c(n1)CCC2=O AB70088 [0,2,0,0,0,0|2,0,0]=4 1302 B13R2.2130 c1cc2c(cc1C#N)CCC2=O MB05628 [0,2,0,0,0,0|1,0,0]=3 1303 B13R2.2130 c1cc2c(cc1C=O)CNC2=O AB66631 [0,2,0,0,0,0|1,0,0]=3 1304 B13R2.2130 c1cc2c(cc1CN)CNC2=O PB36822 [0,2,0,0,0,0|1,0,0]=3 1305 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [0,2,0,0,0,0|1,0,0]=3 1306 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,2,0,0,0,0|0,0,0]=2 1307 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O AB12727 [0,2,0,0,0,0|1,0,0]=3 1308 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,0,1,0,1,0|1,0,1]=4 1309 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,1,0,1,0|2,0,0]=4 1310 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,1,0,1,0|1,0,0]=3 1311 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,1,0,1,0|2,0,0]=4 1312 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,1,0,1,0|2,0,0]=4 1313 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,1,0,1,0|2,0,0]=4 1314 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,1,0,1,0|2,0,0]=4 1315 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,0,1,0,1,0|2,0,0]=4 1316 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,0,1,0,1,0|1,0,0]=3 1317 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,0,1,0,1,0|2,0,0]=4 1318 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,0,1,0,1,0|2,0,0]=4 1319 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,1,0,1,0|1,0,0]=3 1320 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,0,1,0,1,0|1,0,0]=3 1321 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,0,1,0,1,0|2,0,0]=4 1322 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,0,1,0,1,0|1,0,0]=3 1323 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,0,1,0,1,0|2,0,0]=4 1324 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,0,1,0,1,0|2,0,0]=4 1325 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [0,0,1,0,1,0|2,0,0]=4 1326 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,0,1,0,1,0|2,0,0]=4 1327 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,0,1,0,1,0|2,0,0]=4 1328 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,0,1,0,1,0|2,0,0]=4 1329 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,0,1,0,1,0|2,0,0]=4 1330 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,0,1,0,1,0|2,0,0]=4 1331 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,1,0,0,1|2,0,0]=4 1332 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,0,1,0,0,1|2,0,0]=4 1333 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,0,1,0,0,1|2,0,0]=4 1334 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,0,1,0,0,1|2,0,0]=4 1335 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F AB16515 [0,0,1,0,0,1|2,0,0]=4 1336 B11R1.86 c1ccc(c(c1)CC(=O)N)N AB26281 [0,0,1,0,0,1|2,0,0]=4 1337 B11R1.86 c1ccc(c(c1)CC(=O)O)N AB15776 [0,0,1,0,0,1|1,0,0]=3 1338 B11R1.86 c1ccc(c(c1)NC(=O)N)Br CB10141 [0,0,1,0,0,1|2,0,0]=4 1339 B13R2.163 c1ccc2c(c1)CCNC(=O)C2 MB01179 [0,0,0,0,0,2|1,0,0]=3 1340 B13R2.163 c1ccc2c(c1)CCNC(=O)N2 AB65832 [0,0,0,0,0,2|1,0,0]=3 1341 B13R2.5252 c1ccc2c(c1)C(=O)CCCN2 AB14874 [0,0,0,0,0,2|1,0,0]=3 1342 B13R2.5252 c1ccc2c(c1)CCCNC2=O AB19134 [0,0,0,0,0,2|1,0,0]=3 1343 B13R2.5252 c1ccc2c(c1)CCCOC2=O AB65833 [0,0,0,0,0,2|0,0,0]=2