0 B12R2.612 B1(c2ccc(cc2CO1)F)O MB08883 [0,0,0,0,0,0|3,1,0]=4 1 B12R2.612 C1=NC(=CC2=NN=C(C21)I)Cl AB74071 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.612 C1C=C(C=C2C1=C(C=N2)O)Br AB60347 [0,0,0,0,0,0|2,1,1]=4 3 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)Br MB04899 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)Cl MB04866 [0,0,0,0,0,0|2,0,1]=3 5 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)F MB04910 [0,0,0,0,0,0|2,1,1]=4 6 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)I MB04927 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 C1C=C(C=C2C1=C(N=N2)Br)N MB04979 [0,0,0,0,0,0|3,0,1]=4 8 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)Br PB20195 [0,0,0,0,0,0|2,1,1]=4 9 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)Cl MB19202 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)F MB10067 [0,0,0,0,0,0|2,1,1]=4 11 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)I MB04974 [0,0,0,0,0,0|2,1,1]=4 12 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)N PB14504 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.612 C1C=C(C=C2C1=C(N=N2)Cl)O MB06738 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)Br PB18827 [0,0,0,0,0,0|2,1,1]=4 15 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)Cl AB42681 [0,0,0,0,0,0|2,0,1]=3 16 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)F AB42713 [0,0,0,0,0,0|2,1,1]=4 17 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)I MB04926 [0,0,0,0,0,0|2,1,1]=4 18 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)N PB30969 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.612 C1C=C(C=C2C1=C(N=N2)I)O MB09022 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.612 C1C=C(C=C2C1=C(N=N2)N)Br PB26168 [0,0,0,0,0,0|2,1,1]=4 21 B12R2.612 C1C=C(C=C2C1=C(N=N2)N)F AB28663 [0,0,0,0,0,0|2,1,1]=4 22 B12R2.612 C1C=C(C=C2C1=C(N=N2)O)Br MB04907 [0,0,0,0,0,0|1,1,1]=3 23 B12R2.612 CC1=CC2C(=C(N=N2)Br)C=C1 MB04943 [0,0,0,0,0,0|3,0,1]=4 24 B12R2.612 CC1=CC2C(=C(N=N2)Cl)C=C1 AB27199 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.612 CC1=CC2C(=C(N=N2)I)C=C1 AB42724 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.612 CC1=NN=C2=C1C=CC(=C2)Br PB16006 [0,0,0,0,0,0|2,1,1]=4 27 B12R2.612 CC1=NN=C2=C1C=CC(=C2)Cl MB19203 [0,0,0,0,0,0|2,0,1]=3 28 B12R2.612 CC1=NN=C2=C1C=CC(=C2)F MB06514 [0,0,0,0,0,0|2,1,1]=4 29 B12R2.612 CC1=NN=C2=C1C=CC(=C2)I PB11964 [0,0,0,0,0,0|2,1,1]=4 30 B12R2.612 CC1=NN=C2=C1C=CC(=C2)N PB22438 [0,0,0,0,0,0|3,0,1]=4 31 B12R2.612 CC1=NN=C2=C1C=CC(=C2)O MB06518 [0,0,0,0,0,0|3,0,1]=4 32 B12R2.612 CC1=NN=C2=C1C=CC(=N2)Cl PB33421 [0,0,0,0,0,0|3,0,1]=4 33 B12R2.612 CC1=c2ccc(nc2=NC1)Cl PB16760 [0,0,0,0,0,0|4,0,0]=4 34 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [0,0,0,0,0,0|1,1,0]=2 35 B12R2.612 Cc1ccc2c(c1)CNC2=O MB07070 [0,0,0,0,0,0|2,0,2]=4 36 B12R2.612 Cc1ccc2c(c1)cnn2N MB14892 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [0,0,0,0,0,0|2,0,0]=2 38 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,0,0,0,0,0|3,0,1]=4 39 B12R2.612 Cc1nnc2n1ccc(c2)Br PB25481 [0,0,0,0,0,0|3,1,0]=4 40 B12R2.612 Cn1c2ccc(cc2cn1)Br PB22315 [0,0,0,0,0,0|3,1,0]=4 41 B12R2.612 Cn1c2ccc(cc2cn1)I MB11460 [0,0,0,0,0,0|3,1,0]=4 42 B12R2.612 Cn1c2ccc(cc2cn1)N PB29249 [0,0,0,0,0,0|4,0,0]=4 43 B12R2.612 Cn1c2ccc(cc2cn1)S MB69216 [0,0,0,0,0,0|4,0,0]=4 44 B12R2.612 c1c2c(cnc1Cl)C(=O)NC2 AB77327 [0,0,0,0,0,0|2,0,2]=4 45 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 PB27327 [0,0,0,0,0,0|3,0,1]=4 46 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,0,0,0,0,0|3,0,1]=4 47 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,0,0,0,0,0|2,0,1]=3 48 B12R2.612 c1cc(nc2c1C(CO2)N)Cl AB70110 [0,0,0,0,0,0|3,0,1]=4 49 B12R2.612 c1cc2c(cc1Br)CCC2O AB30452 [0,0,0,0,0,0|2,1,1]=4 50 B12R2.612 c1cc2c(cc1Br)CNC2=O PB29649 [0,0,0,0,0,0|1,1,2]=4 51 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [0,0,0,0,0,0|1,1,1]=3 52 B12R2.612 c1cc2c(cc1Br)OCC2N AB51059 [0,0,0,0,0,0|2,1,1]=4 53 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [0,0,0,0,0,0|1,1,0]=2 54 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [0,0,0,0,0,0|1,1,0]=2 55 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,0,0,0,0,0|2,0,1]=3 56 B12R2.612 c1cc2c(cc1Cl)CCC2N AB38345 [0,0,0,0,0,0|3,0,1]=4 57 B12R2.612 c1cc2c(cc1Cl)CC[C@@H]2N AB38352 [0,0,0,0,0,0|3,0,1]=4 58 B12R2.612 c1cc2c(cc1Cl)CC[C@H]2N AB38349 [0,0,0,0,0,0|3,0,1]=4 59 B12R2.612 c1cc2c(cc1Cl)CNC2=O MB05670 [0,0,0,0,0,0|1,0,2]=3 60 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,0,0,0,0,0|1,0,1]=2 61 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [0,0,0,0,0,0|1,0,1]=2 62 B12R2.612 c1cc2c(cc1Cl)OCC2N AB56718 [0,0,0,0,0,0|2,0,1]=3 63 B12R2.612 c1cc2c(cc1Cl)cnn2N MB14920 [0,0,0,0,0,0|3,0,0]=3 64 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [0,0,0,0,0,0|1,0,0]=1 65 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,0,0,0,0,0|2,1,1]=4 66 B12R2.612 c1cc2c(cc1F)CNC2=O AB71859 [0,0,0,0,0,0|1,1,2]=4 67 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [0,0,0,0,0,0|1,1,1]=3 68 B12R2.612 c1cc2c(cc1F)OCC2N AB56716 [0,0,0,0,0,0|2,1,1]=4 69 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [0,0,0,0,0,0|1,1,0]=2 70 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,0,0,0,0,0|2,1,1]=4 71 B12R2.612 c1cc2c(cc1I)cnn2N MB11912 [0,0,0,0,0,0|3,1,0]=4 72 B12R2.612 c1cc2c(cc1N)CNC2=O PB14793 [0,0,0,0,0,0|2,0,2]=4 73 B12R2.612 c1cc2c(cc1O)CNC2=O AB56006 [0,0,0,0,0,0|2,0,2]=4 74 B11R2.1 B1(c2ccccc2CO1)O AB08148 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [1,0,0,0,0,0|2,0,1]=4 76 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [1,0,0,0,0,0|2,0,1]=4 77 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [1,0,0,0,0,0|2,0,1]=4 78 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [1,0,0,0,0,0|2,0,1]=4 79 B11R2.1 C1C=CN=C2C1=C(N=N2)O AB23677 [1,0,0,0,0,0|2,0,1]=4 80 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [1,0,0,0,0,0|2,0,1]=4 81 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,0,0,0|3,0,0]=4 82 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [1,0,0,0,0,0|2,0,0]=3 83 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,0,0,0|2,0,1]=4 84 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,0,0,0|1,0,1]=3 85 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,0,0,0|1,0,1]=3 86 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,0,0,0|2,0,1]=4 87 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [1,0,0,0,0,0|2,0,1]=4 88 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,0,0,0|1,0,2]=4 89 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,0,0,0|2,0,0]=3 90 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [1,0,0,0,0,0|1,0,0]=2 91 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [1,0,0,0,0,0|3,0,0]=4 92 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [1,0,0,0,0,0|3,0,0]=4 93 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [1,0,0,0,0,0|3,0,0]=4 94 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [1,0,0,0,0,0|2,1,0]=4 95 B11R2.36 C1=C2C(=CN=N2)N=CC1Cl PB19471 [1,0,0,0,0,0|2,0,1]=4 96 B11R2.36 C1=NC(=CC2=NN=CC21)Cl PB25597 [1,0,0,0,0,0|2,0,1]=4 97 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [1,0,0,0,0,0|2,0,1]=4 98 B11R2.36 C1C=C2C=NN=C2N=C1Cl PB31400 [1,0,0,0,0,0|2,0,1]=4 99 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [1,0,0,0,0,0|2,0,1]=4 100 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [1,0,0,0,0,0|3,0,0]=4 101 B11R2.36 c1c(cnc2c1CN=N2)Cl AB64616 [1,0,0,0,0,0|3,0,0]=4 102 B11R2.36 c1c(cnc2c1OCO2)Cl AB73686 [1,0,0,0,0,0|3,0,0]=4 103 B11R2.36 c1c2=NCC=c2cnc1Cl PB22198 [1,0,0,0,0,0|3,0,0]=4 104 B11R2.36 c1c2c(cnc1Cl)N=NC2 PB15803 [1,0,0,0,0,0|3,0,0]=4 105 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [1,0,0,0,0,0|1,1,0]=3 106 B11R2.36 c1cc(cc2c1cco2)N MB09331 [1,0,0,0,0,0|2,0,0]=3 107 B11R2.36 c1cc(cc2c1cco2)O MB06436 [1,0,0,0,0,0|2,0,0]=3 108 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [1,0,0,0,0,0|1,2,0]=4 109 B11R2.36 c1cc(nc2c1nco2)Cl AB77475 [1,0,0,0,0,0|3,0,0]=4 110 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [1,0,0,0,0,0|1,1,1]=4 111 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [1,0,0,0,0,0|2,1,0]=4 112 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [1,0,0,0,0,0|2,1,0]=4 113 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [1,0,0,0,0,0|1,0,2]=4 114 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [1,0,0,0,0,0|2,0,0]=3 115 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [1,0,0,0,0,0|3,0,0]=4 116 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [1,0,0,0,0,0|3,0,0]=4 117 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [1,0,0,0,0,0|2,0,0]=3 118 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [1,0,0,0,0,0|2,1,0]=4 119 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [1,0,0,0,0,0|3,0,0]=4 120 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [1,0,0,0,0,0|3,0,0]=4 121 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [1,0,0,0,0,0|3,0,0]=4 122 B11R2.36 c1cc2cnoc2cc1Br AB25994 [1,0,0,0,0,0|0,1,0]=2 123 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [1,0,0,0,0,0|0,0,0]=1 124 B11R2.36 c1cc2cnoc2cc1N AB26008 [1,0,0,0,0,0|1,0,0]=2 125 B11R2.36 c1cc2cnsc2cc1Br MB19419 [1,0,0,0,0,0|0,2,0]=3 126 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [1,0,0,0,0,0|0,1,0]=2 127 B11R2.36 c1cc2conc2cc1Br MB19398 [1,0,0,0,0,0|2,1,0]=4 128 B11R2.36 c1cc2conc2cc1Cl MB19396 [1,0,0,0,0,0|2,0,0]=3 129 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [1,0,0,0,0,0|3,0,0]=4 130 B11R2.36 c1cn2cnnc2cc1Br PB16252 [1,0,0,0,0,0|2,1,0]=4 131 B13R2.662 C1C=C(C=C2C1=C(N=N2)C#N)Cl AB32617 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.662 C1C=C(C=C2C1=C(N=N2)C=O)Cl AB42691 [0,1,0,0,0,0|1,0,2]=4 133 B13R2.662 C1C=C(C=C2C1=C(N=N2)CO)N AB54477 [0,1,0,0,0,0|2,0,1]=4 134 B13R2.662 COC1=NN=C2=C1C=CC(=C2)Br PB14062 [0,1,0,0,0,0|1,1,1]=4 135 B13R2.662 COC1=NN=C2=C1C=CC(=C2)N PB13945 [0,1,0,0,0,0|2,0,1]=4 136 B13R2.662 COc1c2ccc(cc2on1)Cl MB09688 [0,1,0,0,0,0|0,0,0]=1 137 B13R2.2130 COc1ccc2c(c1)OCC2=O AB11637 [0,1,0,0,0,0|2,0,1]=4 138 B13R2.2130 COc1ccc2c(c1)onc2Cl AB72260 [0,1,0,0,0,0|2,0,0]=3 139 B13R2.5180 c1cc(c(c2c1C(=O)CC2)Cl)Cl AB70127 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.5187 Cc1c2ccc(cc2n(n1)C)Br PB20692 [0,1,0,0,0,0|2,1,0]=4 141 B13R2.5187 Cc1c2ccc(cc2n(n1)C)N PB19644 [0,1,0,0,0,0|3,0,0]=4 142 B13R2.5187 Cn1c2cc(ccc2c(n1)Br)N PB30014 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.5187 Cn1c2cc(ccc2c(n1)Cl)Br MB19847 [0,1,0,0,0,0|2,1,0]=4 144 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB12240 [0,1,0,0,0,0|1,1,0]=3 145 B13R2.11634 Cc1c2cc(c(cc2on1)F)N MB14798 [0,1,0,0,0,0|1,1,0]=3 146 B13R2.11634 c1c2c(cc(c1Cl)Cl)C(=O)CC2 AB49372 [0,1,0,0,0,0|2,0,1]=4 147 B13R2.11634 c1c2c(cc(c1Cl)F)C(=O)CC2 AB70079 [0,1,0,0,0,0|2,0,1]=4 148 B13R2.11642 C1=C2C(=C(N=N2)O)C(=CC1N)Cl MB05009 [0,1,0,0,0,0|2,0,1]=4 149 B13R2.11642 C1=C2C(=C(N=N2)O)C(=CC1N)F PB15925 [0,1,0,0,0,0|2,0,1]=4 150 B11R1.22 c1cc(ccc1C(=O)C=O)Cl AB44429 [0,0,1,0,0,0|1,0,2]=4 151 B11R1.22 c1cc(ccc1C(=O)CO)F MB02453 [0,0,1,0,0,0|1,1,1]=4 152 B11R1.24 c1cc(cc(c1)Cl)CCC=O AB42275 [0,0,1,0,0,0|2,0,1]=4 153 B11R1.37 COc1c(ccc(n1)Cl)C=O AB64671 [0,0,1,0,0,0|2,0,1]=4 154 B11R1.37 COc1cc(ccc1C=O)Br AB44855 [0,0,1,0,0,0|1,1,1]=4 155 B11R1.37 c1cc(c(cc1Cl)C#N)C=O MB08901 [0,0,1,0,0,0|1,0,2]=4 156 B11R1.166 B(c1ccc(cc1C)Cl)(O)O AB12322 [0,0,1,0,0,0|3,0,0]=4 157 B11R1.166 B(c1ccc(cc1Cl)Cl)(O)O AB01132 [0,0,1,0,0,0|3,0,0]=4 158 B11R1.166 B(c1ccc(cc1F)Cl)(O)O AB12601 [0,0,1,0,0,0|3,0,0]=4 159 B11R1.166 B(c1ccc(cc1O)C)(O)O PB11677 [0,0,1,0,0,0|3,0,0]=4 160 B11R1.166 B(c1ccc(cc1O)F)(O)O AB20352 [0,0,1,0,0,0|2,1,0]=4 161 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,0,1,0,0,0|2,0,1]=4 162 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,0,1,0,0,0|1,1,1]=4 163 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,0,1,0,0,0|2,0,1]=4 164 B11R1.166 CC(=O)c1cnc(cc1O)Cl AB84198 [0,0,1,0,0,0|2,0,1]=4 165 B11R1.166 CC(C)c1ccc(cc1O)Cl MB22600 [0,0,1,0,0,0|2,0,1]=4 166 B11R1.166 CN(C)c1ccc(cc1O)Cl MB24909 [0,0,1,0,0,0|3,0,0]=4 167 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,0,1,0,0,0|3,0,0]=4 168 B11R1.166 Cc1cc(c(cn1)C(=O)O)O AB17044 [0,0,1,0,0,0|3,0,0]=4 169 B11R1.166 Cc1cc(ccc1C(=N)N)Br AB18383 [0,0,1,0,0,0|2,1,0]=4 170 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,0,1,0,0,0|3,0,0]=4 171 B11R1.166 Cc1cc(ncc1C(=O)O)Cl AB65755 [0,0,1,0,0,0|3,0,0]=4 172 B11R1.166 Cc1ccc(c(c1)C)C(=N)N AB18393 [0,0,1,0,0,0|3,0,0]=4 173 B11R1.166 Cc1ccc(c(c1)Cl)C(=N)N AB18279 [0,0,1,0,0,0|3,0,0]=4 174 B11R1.166 Cc1ccc(c(c1)O)C(=O)N MB02488 [0,0,1,0,0,0|1,0,2]=4 175 B11R1.166 c1c(c(cnc1Br)C(=O)O)O AB72394 [0,0,1,0,0,0|2,1,0]=4 176 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl AB05151 [0,0,1,0,0,0|3,0,0]=4 177 B11R1.166 c1c(c(cnc1Cl)C(=O)O)F AB68037 [0,0,1,0,0,0|3,0,0]=4 178 B11R1.166 c1c(c(cnc1Cl)C(=O)O)N PB12156 [0,0,1,0,0,0|3,0,0]=4 179 B11R1.166 c1c(c(cnc1Cl)C(=O)O)O AB69324 [0,0,1,0,0,0|2,0,0]=3 180 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,0,1,0,0,0|3,0,0]=4 181 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,0,1,0,0,0|3,0,0]=4 182 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,0,1,0,0,0|3,0,0]=4 183 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,0,1,0,0,0|3,0,0]=4 184 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AB05197 [0,0,1,0,0,0|2,1,0]=4 185 B11R1.166 c1cc(c(cc1Br)F)C(=N)N AB18335 [0,0,1,0,0,0|2,1,0]=4 186 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AB03858 [0,0,1,0,0,0|2,1,0]=4 187 B11R1.166 c1cc(c(cc1Br)N)C(=O)O MB02895 [0,0,1,0,0,0|2,1,0]=4 188 B11R1.166 c1cc(c(cc1Br)O)C(=O)N MB04760 [0,0,1,0,0,0|0,1,2]=4 189 B11R1.166 c1cc(c(cc1Cl)Cl)C(=N)N AB18390 [0,0,1,0,0,0|2,0,0]=3 190 B11R1.166 c1cc(c(cc1Cl)F)C(=N)N AB18342 [0,0,1,0,0,0|2,0,0]=3 191 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N MB09408 [0,0,1,0,0,0|0,0,2]=3 192 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AB02279 [0,0,1,0,0,0|2,1,0]=4 193 B11R1.166 c1cc(c(cc1F)Cl)C(=N)N AB18354 [0,0,1,0,0,0|2,1,0]=4 194 B11R1.166 c1cc(c(cc1F)F)C(=N)N AB18346 [0,0,1,0,0,0|2,1,0]=4 195 B11R1.166 c1cc(c(cc1F)F)C(=O)O AB01069 [0,0,1,0,0,0|2,1,0]=4 196 B11R1.166 c1cc(c(cc1F)O)C(=O)N MB25529 [0,0,1,0,0,0|0,1,2]=4 197 B11R1.166 c1cc(c(cc1I)O)C(=O)N MB37556 [0,0,1,0,0,0|0,1,2]=4 198 B11R1.166 c1cc(c(cc1N)O)C(=O)N MB25620 [0,0,1,0,0,0|1,0,2]=4 199 B11R1.166 c1cc(c(cc1O)Br)C(=O)O MB28859 [0,0,1,0,0,0|3,0,0]=4 200 B11R1.166 c1cc(c(cc1O)I)C(=O)O MB31618 [0,0,1,0,0,0|3,0,0]=4 201 B11R1.166 c1cc(c(cc1O)N)C(=O)O MB00542 [0,0,1,0,0,0|3,0,0]=4 202 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,0,1,0,0,0|3,0,0]=4 203 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,0,1,0,0,0|3,0,0]=4 204 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,0,1,0,0,0|3,0,0]=4 205 B13R2.3683 Cc1ccc2c(c1)OCC(=O)C2 AB56631 [0,0,0,0,0,1|2,0,1]=4 206 B13R2.3683 Cc1ccc2c(c1)OCC(=O)N2 AB12998 [0,0,0,0,0,1|2,0,1]=4 207 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N AB17885 [0,0,0,0,0,1|3,0,0]=4 208 B13R2.3683 Cc1ccc2c(c1)nnc(n2)N MB00344 [0,0,0,0,0,1|3,0,0]=4 209 B13R2.3683 c1cc(cc2c1cc(cn2)Br)Cl CB11975 [0,0,0,0,0,1|3,0,0]=4 210 B13R2.3683 c1cc(cc2c1cc(cn2)N)Cl CB11980 [0,0,0,0,0,1|3,0,0]=4 211 B13R2.3683 c1cc(cc2c1cc(nc2)Br)Cl AB72948 [0,0,0,0,0,1|2,0,0]=3 212 B13R2.3683 c1cc(cc2c1cc(nc2)Cl)Br PB19116 [0,0,0,0,0,1|2,1,0]=4 213 B13R2.3683 c1cc(cc2c1cc(nc2)N)Br PB25313 [0,0,0,0,0,1|2,1,0]=4 214 B13R2.3683 c1cc(nc2c1CC(=O)CO2)Cl AB74018 [0,0,0,0,0,1|2,0,1]=4 215 B13R2.3683 c1cc(nc2c1cc(cc2)Br)O AB42143 [0,0,0,0,0,1|2,1,0]=4 216 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)Cl CB10695 [0,0,0,0,0,1|3,0,0]=4 217 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)N AB43744 [0,0,0,0,0,1|3,0,0]=4 218 B13R2.3683 c1cc(nc2c1cc(cc2)Cl)O CB10693 [0,0,0,0,0,1|2,0,0]=3 219 B13R2.3683 c1cc(nc2c1nc(nc2)Cl)Cl AB68433 [0,0,0,0,0,1|3,0,0]=4 220 B13R2.3683 c1cc2=NC(=O)CC=c2cc1Cl MB02518 [0,0,0,0,0,1|2,0,1]=4 221 B13R2.3683 c1cc2c(cc1Br)OCC(=O)C2 AB56634 [0,0,0,0,0,1|1,1,1]=4 222 B13R2.3683 c1cc2c(cc1Br)OCC(=O)N2 AB42341 [0,0,0,0,0,1|1,1,1]=4 223 B13R2.3683 c1cc2c(cc1Br)OCC(C2)O AB66841 [0,0,0,0,0,1|1,1,1]=4 224 B13R2.3683 c1cc2c(cc1Br)cnc(n2)Cl PB14676 [0,0,0,0,0,1|2,1,0]=4 225 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N AB17886 [0,0,0,0,0,1|2,1,0]=4 226 B13R2.3683 c1cc2c(cc1Br)ncc(n2)O AB56375 [0,0,0,0,0,1|2,1,0]=4 227 B13R2.3683 c1cc2c(cc1Br)nnc(n2)N MB09368 [0,0,0,0,0,1|2,1,0]=4 228 B13R2.3683 c1cc2c(cc1Cl)CCC(=O)C2 AB16018 [0,0,0,0,0,1|2,0,1]=4 229 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)C2 AB56636 [0,0,0,0,0,1|1,0,1]=3 230 B13R2.3683 c1cc2c(cc1Cl)OCC(=O)N2 AB12999 [0,0,0,0,0,1|1,0,1]=3 231 B13R2.3683 c1cc2c(cc1Cl)OCC(C2)N AB56672 [0,0,0,0,0,1|2,0,1]=4 232 B13R2.3683 c1cc2c(cc1Cl)cnc(n2)N AB31778 [0,0,0,0,0,1|2,0,0]=3 233 B13R2.3683 c1cc2c(cc1Cl)nnc(n2)N MB00343 [0,0,0,0,0,1|2,0,0]=3 234 B13R2.3683 c1cc2c(cc1F)OCC(=O)C2 AB56639 [0,0,0,0,0,1|1,1,1]=4 235 B13R2.3683 c1cc2c(cc1F)OCC(=O)N2 AB42343 [0,0,0,0,0,1|1,1,1]=4 236 B13R2.3683 c1cc2c(cc1F)nnc(n2)N MB00339 [0,0,0,0,0,1|2,1,0]=4 237 B13R2.3683 c1cc2c(cc1I)OCC(=O)N2 MB04728 [0,0,0,0,0,1|1,1,1]=4 238 B13R2.3683 c1cc2c(cc1N)OCC(=O)N2 MB02829 [0,0,0,0,0,1|2,0,1]=4 239 B13R2.3683 c1cc2c(cc1O)OCC(=O)N2 MB11352 [0,0,0,0,0,1|2,0,1]=4 240 B13R2.3683 c1cc2c(cc1O)nnc(n2)N MB10248 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.5179 Cc1ccc2c(c1)OCCC2=O MB00918 [0,0,0,0,0,1|2,0,1]=4 242 B13R2.5179 Cc1ccc2c(c1)ccnc2Cl AB63566 [0,0,0,0,0,1|3,0,0]=4 243 B13R2.5179 Cc1ccc2c(c1)ccnc2N AB63570 [0,0,0,0,0,1|3,0,0]=4 244 B13R2.5179 Cc1ccc2c(c1)ccnc2O AB70069 [0,0,0,0,0,1|2,0,0]=3 245 B13R2.5179 Cc1ccc2c(c1)ncnc2Cl AB59114 [0,0,0,0,0,1|3,0,0]=4 246 B13R2.5179 c1c(cnc2c1COCC2=O)Cl AB74031 [0,0,0,0,0,1|2,0,1]=4 247 B13R2.5179 c1c2c(cnc1Cl)c(ncn2)Cl AB73045 [0,0,0,0,0,1|3,0,0]=4 248 B13R2.5179 c1cc(nc2c1C(=O)CCO2)Cl AB68936 [0,0,0,0,0,1|2,0,1]=4 249 B13R2.5179 c1cc(nc2c1c(ncc2)Br)Cl AB85043 [0,0,0,0,0,1|3,0,0]=4 250 B13R2.5179 c1cc(nc2c1c(ncc2)Cl)Cl AB54491 [0,0,0,0,0,1|3,0,0]=4 251 B13R2.5179 c1cc(nc2c1c(ncc2)O)Br AB73798 [0,0,0,0,0,1|2,1,0]=4 252 B13R2.5179 c1cc(nc2c1c(ncc2)O)Cl AB73796 [0,0,0,0,0,1|2,0,0]=3 253 B13R2.5179 c1cc(nc2c1c(ncn2)Cl)Cl PB25155 [0,0,0,0,0,1|3,0,0]=4 254 B13R2.5179 c1cc(nc2c1c(ncn2)O)Cl AB51262 [0,0,0,0,0,1|2,0,0]=3 255 B13R2.5179 c1cc2c(cc1Br)OCCC2=O MB07538 [0,0,0,0,0,1|1,1,1]=4 256 B13R2.5179 c1cc2c(cc1Br)cn[nH]c2=O PB34379 [0,0,0,0,0,1|1,1,1]=4 257 B13R2.5179 c1cc2c(cc1Br)cnnc2Cl PB14700 [0,0,0,0,0,1|2,1,0]=4 258 B13R2.5179 c1cc2c(cc1Br)ncnc2Cl PB17355 [0,0,0,0,0,1|2,1,0]=4 259 B13R2.5179 c1cc2c(cc1Cl)CCCC2=O AB18184 [0,0,0,0,0,1|2,0,1]=4 260 B13R2.5179 c1cc2c(cc1Cl)CCNC2=O AB19131 [0,0,0,0,0,1|1,0,2]=4 261 B13R2.5179 c1cc2c(cc1Cl)NCCC2=O AB07151 [0,0,0,0,0,1|2,0,1]=4 262 B13R2.5179 c1cc2c(cc1Cl)OCCC2=O MB07535 [0,0,0,0,0,1|1,0,1]=3 263 B13R2.5179 c1cc2c(cc1Cl)OCCC2N MB69092 [0,0,0,0,0,1|2,0,1]=4 264 B13R2.5179 c1cc2c(cc1Cl)cn[nH]c2=O PB30105 [0,0,0,0,0,1|1,0,1]=3 265 B13R2.5179 c1cc2c(cc1Cl)cnnc2Cl PB19262 [0,0,0,0,0,1|2,0,0]=3 266 B13R2.5179 c1cc2c(cc1Cl)ncnc2Cl AB01392 [0,0,0,0,0,1|2,0,0]=3 267 B13R2.5179 c1cc2c(cc1F)ncnc2Cl AB43869 [0,0,0,0,0,1|2,1,0]=4 268 B13R2.5179 c1cc2c(cc1F)ncnc2N CB11202 [0,0,0,0,0,1|2,1,0]=4 269 B13R2.5179 c1cc2c(cc[nH]c2=O)cc1Cl AB42154 [0,0,0,0,0,1|1,0,2]=4 270 B13R2.5179 c1cc2c(ccnc2Br)cc1Cl AB70045 [0,0,0,0,0,1|2,0,0]=3 271 B13R2.5179 c1cc2c(ccnc2Br)cc1F AB70062 [0,0,0,0,0,1|2,1,0]=4 272 B13R2.5179 c1cc2c(ccnc2Cl)cc1Br AB27582 [0,0,0,0,0,1|2,1,0]=4 273 B13R2.5179 c1cc2c(ccnc2Cl)cc1Cl AB27580 [0,0,0,0,0,1|2,0,0]=3 274 B13R2.5179 c1cc2c(ccnc2Cl)cc1F AB55623 [0,0,0,0,0,1|2,1,0]=4 275 B13R2.5179 c1cc2c(ccnc2N)cc1Br AB39358 [0,0,0,0,0,1|2,1,0]=4 276 B13R2.5179 c1cc2c(ccnc2N)cc1Cl AB39360 [0,0,0,0,0,1|2,0,0]=3 277 B13R2.5179 c1cc2c(ccnc2N)cc1F AB69427 [0,0,0,0,0,1|2,1,0]=4 278 B13R2.5179 c1cc2c(ccnc2O)cc1Cl AB64993 [0,0,0,0,0,1|1,0,0]=2 279 B13R2.5179 c1cc2c(ccnc2cc1Br)O AB25905 [0,0,0,0,0,1|2,1,0]=4 280 B13R2.5179 c1cc2c(ccnc2cc1Cl)Br AB42126 [0,0,0,0,0,1|3,0,0]=4 281 B13R2.5179 c1cc2c(ccnc2cc1Cl)N AB07356 [0,0,0,0,0,1|3,0,0]=4 282 B13R2.5179 c1cc2c(ccnc2cc1F)O AB05529 [0,0,0,0,0,1|2,1,0]=4 283 B13R2.5179 c1cnc(c2c1cc(cn2)Cl)Cl AB73790 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.1 Cc1ccc(nc1)\C=N\O AB72002 [1,0,1,0,0,0|2,0,0]=4 285 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [1,0,1,0,0,0|2,0,0]=4 286 B10R1.1 c1cc(ccc1\C=N\O)Br AB06151 [1,0,1,0,0,0|0,1,0]=3 287 B10R1.13 B(c1ccc(cc1)Br)(O)O AB00202 [1,0,1,0,0,0|1,1,0]=4 288 B10R1.13 B(c1ccc(cc1)C)(O)O AB01767 [1,0,1,0,0,0|2,0,0]=4 289 B10R1.13 B(c1ccc(cc1)Cl)(O)O AB01763 [1,0,1,0,0,0|1,0,0]=3 290 B10R1.13 B(c1ccc(cc1)F)(O)O AB01761 [1,0,1,0,0,0|1,1,0]=4 291 B10R1.13 B(c1ccc(cc1)I)(O)O AB08832 [1,0,1,0,0,0|1,1,0]=4 292 B10R1.13 B(c1ccc(cc1)N)(O)O AB08102 [1,0,1,0,0,0|2,0,0]=4 293 B10R1.13 B(c1ccc(cc1)O)(O)O AB08076 [1,0,1,0,0,0|2,0,0]=4 294 B10R1.13 B(c1ccc(cc1)S)(O)O AB13276 [1,0,1,0,0,0|2,0,0]=4 295 B10R1.13 B(c1ccc(cn1)Cl)(O)O AB32111 [1,0,1,0,0,0|2,0,0]=4 296 B10R1.13 B(c1ccc(nc1)Cl)(O)O AB13412 [1,0,1,0,0,0|2,0,0]=4 297 B10R1.13 Cc1ccc(cc1)C(=N)N AB01792 [1,0,1,0,0,0|2,0,0]=4 298 B10R1.13 c1cc(ccc1C(=N)N)Br AB06234 [1,0,1,0,0,0|1,1,0]=4 299 B10R1.13 c1cc(ccc1C(=N)N)Cl AB03527 [1,0,1,0,0,0|1,0,0]=3 300 B10R1.13 c1cc(ccc1C(=N)N)F AB18284 [1,0,1,0,0,0|1,1,0]=4 301 B10R1.13 c1cc(ccc1C(=N)N)I AB18403 [1,0,1,0,0,0|1,1,0]=4 302 B10R1.13 c1cc(ccc1C(=N)N)N AB01119 [1,0,1,0,0,0|2,0,0]=4 303 B10R1.13 c1cc(ccc1C(=N)N)O AB03766 [1,0,1,0,0,0|2,0,0]=4 304 B10R1.13 c1cc(ccc1C(=S)N)Cl AB01841 [1,0,1,0,0,0|0,1,1]=4 305 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,0,1,0,0,0|1,0,1]=4 306 B10R1.13 c1cc(ncc1Cl)C(=N)N PB16514 [1,0,1,0,0,0|2,0,0]=4 307 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,0,1,0,0,0|1,0,1]=4 308 B10R1.10 c1cc(cc(c1)Br)\C=N\O AB03839 [1,0,1,0,0,0|1,1,0]=4 309 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [1,0,1,0,0,0|1,0,1]=4 310 B10R1.20 COc1ccccc1C=O AB00311 [1,0,1,0,0,0|1,0,1]=4 311 B10R1.25 CCc1ccc(cc1O)Cl MB23993 [1,0,1,0,0,0|1,0,1]=4 312 B10R1.25 CNc1ccc(cc1O)Cl MB25839 [1,0,1,0,0,0|2,0,0]=4 313 B10R1.25 COc1ccc(cc1O)Cl MB09234 [1,0,1,0,0,0|2,0,0]=4 314 B10R1.25 c1c(c(cnc1Cl)C=O)O AB69327 [1,0,1,0,0,0|1,0,1]=4 315 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [1,0,1,0,0,0|1,0,1]=4 316 B10R1.25 c1cc(c(cc1Br)O)C=O AB23661 [1,0,1,0,0,0|0,1,1]=4 317 B10R1.25 c1cc(c(cc1Cl)Br)C=O MB06997 [1,0,1,0,0,0|1,0,1]=4 318 B10R1.25 c1cc(c(cc1Cl)Br)CO MB06939 [1,0,1,0,0,0|1,0,1]=4 319 B10R1.25 c1cc(c(cc1Cl)N)C=O AB58432 [1,0,1,0,0,0|0,0,2]=4 320 B10R1.25 c1cc(c(cc1Cl)O)C#N MB01011 [1,0,1,0,0,0|0,0,2]=4 321 B10R1.25 c1cc(c(cc1Cl)O)C=O AB23660 [1,0,1,0,0,0|0,0,1]=3 322 B10R1.25 c1cc(c(cc1Cl)O)CN MB26819 [1,0,1,0,0,0|0,0,2]=4 323 B10R1.25 c1cc(c(cc1I)O)C=O MB06220 [1,0,1,0,0,0|0,1,1]=4 324 B10R1.25 c1cc(c(cc1N)O)C=O MB09039 [1,0,1,0,0,0|1,0,1]=4 325 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [1,0,1,0,0,0|1,0,1]=4 326 B10R1.30 CCc1cc(ccc1O)Cl MB00701 [1,0,1,0,0,0|2,0,0]=4 327 B10R1.30 COc1c(ccc(n1)Cl)O AB69331 [1,0,1,0,0,0|2,0,0]=4 328 B10R1.30 COc1cc(ccc1O)Br PB30583 [1,0,1,0,0,0|1,1,0]=4 329 B10R1.30 COc1cc(ccc1O)I MB05217 [1,0,1,0,0,0|1,1,0]=4 330 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [1,0,1,0,0,0|1,1,0]=4 331 B10R1.30 c1cc(c(cc1Cl)C=O)O AB00314 [1,0,1,0,0,0|2,0,0]=4 332 B10R1.30 c1cc(c(cc1Cl)CN)O AB23336 [1,0,1,0,0,0|1,0,1]=4 333 B10R1.61 B(c1ccccc1O)(O)O AB08053 [1,0,1,0,0,0|2,0,0]=4 334 B10R1.61 Cc1ccccc1C(=N)N AB18273 [1,0,1,0,0,0|2,0,0]=4 335 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [1,0,1,0,0,0|2,0,0]=4 336 B10R1.61 c1ccc(c(c1)C(=N)N)Br AB18326 [1,0,1,0,0,0|2,0,0]=4 337 B10R1.61 c1ccc(c(c1)C(=N)N)Cl AB05888 [1,0,1,0,0,0|2,0,0]=4 338 B10R1.61 c1ccc(c(c1)C(=N)N)F AB18318 [1,0,1,0,0,0|2,0,0]=4 339 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,0,1,0,0,0|1,0,0]=3 340 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [1,0,1,0,0,0|2,0,0]=4 341 B10R1.61 c1cncc(c1C(=O)O)O PB29057 [1,0,1,0,0,0|2,0,0]=4 342 B10R1.61 c1cncc(c1O)C(=O)O AB01802 [1,0,1,0,0,0|2,0,0]=4 343 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [2,0,0,0,0,0|1,0,1]=4 344 B10R2.7 c1cc2c(cco2)nc1 PB26741 [2,0,0,0,0,0|2,0,0]=4 345 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [2,0,0,0,0,0|2,0,0]=4 346 B10R2.7 c1ccn2cncc2c1 AB14043 [2,0,0,0,0,0|2,0,0]=4 347 B12R1.226 CC(=O)COc1cccc(c1)Cl AB26133 [0,1,1,0,0,0|1,0,1]=4 348 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O AB08448 [0,1,1,0,0,0|2,0,0]=4 349 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O AB01185 [0,1,1,0,0,0|1,0,0]=3 350 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O AB00370 [0,1,1,0,0,0|2,0,0]=4 351 B12R1.57 B(c1ccc(cc1OC)Cl)(O)O AB12616 [0,1,1,0,0,0|2,0,0]=4 352 B12R1.57 COc1c(ccc(n1)Cl)C(=O)O AB64672 [0,1,1,0,0,0|2,0,0]=4 353 B12R1.57 COc1cc(ccc1C(=O)O)O MB03687 [0,1,1,0,0,0|2,0,0]=4 354 B12R1.57 COc1cc(ncc1C(=O)O)Cl AB55875 [0,1,1,0,0,0|2,0,0]=4 355 B12R1.232 CC(=O)c1cc(c(cc1O)Cl)F MB07188 [0,1,1,0,0,0|1,0,1]=4 356 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O AB00226 [0,1,1,0,0,0|2,0,0]=4 357 B12R1.232 c1c(c(cc(c1N)O)O)C(=O)O MB08936 [0,1,1,0,0,0|2,0,0]=4 358 B12R1.452 CCc1ccc(c(c1)O)C(=O)O MB23797 [0,1,1,0,0,0|2,0,0]=4 359 B12R1.452 CNc1ccc(c(c1)O)C(=O)O MB10618 [0,1,1,0,0,0|2,0,0]=4 360 B12R1.452 CSc1ccc(c(c1)O)C(=O)O MB07648 [0,1,1,0,0,0|2,0,0]=4 361 B12R1.452 c1cc(c(cc1C#N)O)C(=O)O MB26600 [0,1,1,0,0,0|2,0,0]=4 362 B12R1.452 c1cc(c(cc1C=O)O)C(=O)O MB30837 [0,1,1,0,0,0|2,0,0]=4 363 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl AB31744 [0,1,1,0,0,0|2,0,0]=4 364 B12R1.893 c1cc(c(c(c1C(=O)O)O)N)O MB08940 [0,1,1,0,0,0|2,0,0]=4 365 B12R1.1000 B(c1c(cc(cc1Cl)Cl)O)(O)O MB11552 [0,1,1,0,0,0|2,0,0]=4 366 B12R2.1 C1=CC2C(=NN=C2CO)C=C1 PB26152 [1,1,0,0,0,0|1,0,1]=4 367 B12R2.1 COC1=NN=C2=C1C=CC=C2 PB34799 [1,1,0,0,0,0|1,0,1]=4 368 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [1,1,0,0,0,0|1,0,1]=4 369 B12R2.132 C1C=C(C=C2C1=NN=C2O)Br MB04962 [1,1,0,0,0,0|1,0,1]=4 370 B12R2.132 C1C=C(C=C2C1=NN=C2O)O MB05006 [1,1,0,0,0,0|1,0,1]=4 371 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [1,1,0,0,0,0|1,0,0]=3 372 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [1,1,0,0,0,0|2,0,0]=4 373 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [1,1,0,0,0,0|1,0,1]=4 374 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [1,1,0,0,0,0|1,0,0]=3 375 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [1,1,0,0,0,0|1,0,0]=3 376 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,1,0,0,0,0|1,0,1]=4 377 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [1,1,0,0,0,0|1,0,1]=4 378 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [1,1,0,0,0,0|2,0,0]=4 379 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [1,1,0,0,0,0|1,0,0]=3 380 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [1,1,0,0,0,0|1,0,0]=3 381 B12R2.132 c1cc2cnn(c2cc1Cl)O MB69250 [1,1,0,0,0,0|2,0,0]=4 382 B12R2.132 c1cc2cnn(c2cc1F)O MB69253 [1,1,0,0,0,0|2,0,0]=4 383 B12R2.196 C1C=CC(=C2C1=C(N=N2)O)Cl MB04960 [1,1,0,0,0,0|1,0,1]=4 384 B12R2.196 C1C=CC(=C2C1=C(N=N2)O)F MB06480 [1,1,0,0,0,0|1,0,1]=4 385 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [1,1,0,0,0,0|1,0,1]=4 386 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [1,1,0,0,0,0|2,0,0]=4 387 B12R2.196 c1cc2c(cnn2O)c(c1)F MB69251 [1,1,0,0,0,0|2,0,0]=4 388 B12R2.203 C1C=CC(=C2C1=NN=C2O)F MB04887 [1,1,0,0,0,0|1,0,1]=4 389 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [1,1,0,0,0,0|1,0,1]=4 390 B12R2.2028 Cc1c2ccccc2n(n1)N MB14907 [1,1,0,0,0,0|2,0,0]=4 391 B12R2.2028 Cn1c2ccccc2c(n1)Br PB19317 [1,1,0,0,0,0|2,0,0]=4 392 B12R2.2028 Cn1c2ccccc2c(n1)I PB31461 [1,1,0,0,0,0|2,0,0]=4 393 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [1,1,0,0,0,0|2,0,0]=4 394 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [1,1,0,0,0,0|2,0,0]=4 395 B12R2.44 c1cc2cnoc2cc1C#N AB26004 [1,1,0,0,0,0|1,0,0]=3 396 B12R2.82 C1C=C2C=NN=C2C(=C1Cl)Cl MB10714 [1,1,0,0,0,0|1,0,1]=4 397 B12R2.82 c1cc(c(c2c1cco2)Br)F MB06990 [1,1,0,0,0,0|1,1,0]=4 398 B12R2.100 c1c2=CCN=c2cc(c1Cl)Cl PB23210 [1,1,0,0,0,0|2,0,0]=4 399 B12R2.100 c1c2=CCN=c2cc(c1F)Cl PB12726 [1,1,0,0,0,0|2,0,0]=4 400 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [1,1,0,0,0,0|2,0,0]=4 401 B12R2.100 c1c2c(cc(c1Cl)Cl)N=NC2 PB16453 [1,1,0,0,0,0|1,0,1]=4 402 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [1,1,0,0,0,0|2,0,0]=4 403 B12R2.100 c1c2c(cc(c1F)Cl)N=NC2 PB33233 [1,1,0,0,0,0|1,0,1]=4 404 B12R2.100 c1c2c(cc(c1N)Cl)N=NC2 MB06481 [1,1,0,0,0,0|1,0,1]=4 405 B12R2.100 c1c2c(cc(c1O)Cl)N=NC2 PB37964 [1,1,0,0,0,0|1,0,1]=4 406 B12R2.246 C1=C2C(=CN=N2)C(=CC1Cl)Br MB04830 [1,1,0,0,0,0|1,0,1]=4 407 B12R2.246 C1=C2C(=CN=N2)C(=CC1Cl)O MB05022 [1,1,0,0,0,0|1,0,1]=4 408 B12R2.246 C1=NN=C2C1C(=CC(=C2)Cl)N MB04835 [1,1,0,0,0,0|1,0,1]=4 409 B12R2.246 c1c(cc(c2=CCN=c21)Cl)Cl PB23331 [1,1,0,0,0,0|2,0,0]=4 410 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [1,1,0,0,0,0|2,0,0]=4 411 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl AB32054 [1,1,0,0,0,0|2,0,0]=4 412 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [1,1,0,0,0,0|2,0,0]=4 413 B12R2.606 c1cc2c(cc1Cl)oc(n2)S AB07270 [1,1,0,0,0,0|2,0,0]=4 414 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)O AB07942 [0,1,0,0,0,1|2,0,0]=4 415 B14R2.8235 c1cc2c(cc1Cl)[n+](nc(n2)N)[O-] MB00335 [0,1,0,0,0,1|2,0,0]=4 416 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl AB45289 [0,1,0,0,0,1|2,0,0]=4 417 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)N AB60754 [0,1,0,0,0,1|2,0,0]=4 418 B14R2.8235 c1cc2c(cc1F)c(nc(n2)O)O CB11607 [0,1,0,0,0,1|1,1,0]=4 419 B14R2.1073 COc1ccnc2c1ccc(c2)Cl MB01887 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.1801 COc1ccc2c(c1)ccnc2O AB64610 [0,1,0,0,0,1|2,0,0]=4 421 B14R2.8038 Cc1c(ccc2c1nccc2O)Cl AB05696 [0,1,0,0,0,1|2,0,0]=4 422 B14R2.8038 c1cc(c(c2c1c(ccn2)O)Cl)Cl AB05718 [0,1,0,0,0,1|2,0,0]=4 423 B14R2.28472 c1c2c(cc(c1Cl)Cl)OCCC2=O MB69164 [0,1,0,0,0,1|1,0,1]=4 424 B14R2.28472 c1cnc2cc(c(cc2c1O)Cl)Cl AB05716 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.28480 c1cnc2cc(cc(c2c1O)Cl)Cl AB04933 [0,1,0,0,0,1|2,0,0]=4 426 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)O AB05588 [0,1,0,0,0,1|2,0,0]=4 427 B14R2.29365 Cc1ccc2c(c1)nc(nc2O)C AB63494 [0,1,0,0,0,1|2,0,0]=4 428 B14R2.29365 Cc1nc2cc(ccc2c(n1)O)Cl AB63030 [0,1,0,0,0,1|1,0,0]=3 429 B14R2.29365 Cc1nc2cc(ccc2c(n1)O)F AB63032 [0,1,0,0,0,1|1,1,0]=4 430 B14R2.29365 c1cc(nc2c1c(nc(n2)O)O)Cl AB65736 [0,1,0,0,0,1|2,0,0]=4 431 B14R2.29365 c1cc2c(cc1Cl)nc(nc2Cl)Cl AB55587 [0,1,0,0,0,1|2,0,0]=4 432 B14R2.300 C1C=C(C=C2C1=C(N=N2)C(=O)O)Cl AB22163 [0,2,0,0,0,0|1,0,1]=4 433 B14R2.300 c1cc2c(cc1Br)occ2C(=O)O AB77119 [0,2,0,0,0,0|1,1,0]=4 434 B14R2.300 c1cc2c(cc1Cl)occ2C(=O)O AB77118 [0,2,0,0,0,0|1,0,0]=3 435 B14R2.300 c1cc2c(cc1F)occ2C(=O)O AB77115 [0,2,0,0,0,0|1,1,0]=4 436 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,0,1,1,0,0|2,0,0]=4 437 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [0,0,1,1,0,0|2,0,0]=4