0 B10R1.20 CNc1c(cccn1)CO CM14403 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.20 COc1ccccc1CCl CM13440 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.20 COc1ccccc1NN CM13803 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.20 COc1cccnc1C#N CM14023 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.20 c1ccc(c(c1)CO)CO CM13268 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.15 CCc1c(cccn1)Br CM10670 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.15 CNc1ccncc1N CM14025 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.15 COc1c(nccn1)N CM10653 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.15 COc1cccnc1Br CM14120 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 COc1cccnc1N CM10903 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 COc1cnccc1N CM10329 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CSc1ccccc1I CM11822 [1,0,0,0,0,0|1,1,0]=3 12 B9R1.15 Cc1ccncc1C=O CM10260 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 c1ccc(c(c1)C#N)F CM13066 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 c1ccc(c(c1)C#N)I CM13126 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.15 c1ccc(c(c1)C=O)I CM11995 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.15 c1ccc(c(c1)CBr)Cl CM13308 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 c1ccc(c(c1)CCl)F CM13406 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 c1ccc(c(c1)CN)F CM13538 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 c1ccc(c(c1)NN)Br CM13792 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 c1cncc(c1O)C#N CM10064 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.37 CCc1cc(ccc1C=O)O CM10866 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.37 COc1c(cc(cn1)Br)C=O CM10177 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.37 COc1c(ccc(n1)F)C=O CM10674 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.37 COc1cc(ccc1C#N)Br CM10855 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.37 COc1cc(ccc1C#N)O CM10236 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.37 COc1cc(ccc1C=O)Cl CM11892 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.37 COc1cc(ccc1C=O)F CM11965 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.37 COc1cc(ccc1C=O)O CM10220 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.37 COc1ccc(cc1C#N)Cl CM13018 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.37 COc1ccc(cc1C#N)F CM13086 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.37 COc1ccc(cc1C=O)Br CM11857 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.37 COc1ccc(cc1C=O)Cl CM11893 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.37 COc1ccc(cc1C=O)F CM11967 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.37 COc1ccc(cc1CBr)F CM13413 [0,1,0,0,0,0|1,0,1]=3 35 B11R1.37 COc1ccc(cc1CO)Br CM13299 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.37 COc1ccc(cc1CO)F CM13414 [0,1,0,0,0,0|1,0,1]=3 37 B11R1.37 COc1ccc(cc1OC)F CM12244 [0,1,0,0,0,0|1,0,1]=3 38 B11R1.37 COc1ccc(cc1OC)O CM11739 [0,1,0,0,0,0|1,0,1]=3 39 B11R1.37 Cc1ccc(c(c1)C#N)C=O CM10508 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.37 Cc1ccc(c(c1)OC)C#N CM13131 [0,1,0,0,0,0|1,0,1]=3 41 B11R1.41 CCOc1ccccc1OC CM11747 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.53 B(c1cccnc1OC)(O)O CM10017 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.53 CC(=O)c1cccnc1OC CM10529 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.53 CC(C)c1ccccc1C=O CM10477 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.53 COc1c(nccn1)C(=O)O CM10657 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.53 c1ccc(c(c1)C#N)C(=O)O CM12612 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.265 CCc1cccc(c1C#N)O CM10382 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.265 CCc1cccc(c1C=O)O CM10385 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.265 COc1c(c(ccn1)Br)C=O CM10672 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.265 COc1c(c(ccn1)I)C=O CM10512 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.265 COc1c(cccc1Cl)C=O CM11890 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.265 COc1c(cccc1F)C=O CM10186 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.265 COc1c(cccc1O)C#N CM10647 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.265 COc1cccc(c1C#N)F CM13082 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.265 COc1cccc(c1C=O)F CM10224 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.265 COc1cccc(c1CN)F CM13539 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.265 COc1cccc(c1OC)F CM12242 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.265 COc1cccc(c1OC)O CM10883 [0,1,0,0,0,0|1,0,1]=3 59 B11R1.265 COc1cncc(c1C=O)Br CM10232 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.265 CSc1cccc(c1C=O)Cl CM10148 [0,1,0,0,0,0|1,1,0]=3 61 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,1,0,0|2,0,1]=4 62 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,0,0,1,0,0|3,0,0]=4 63 B11R2.1 c1ccc2c(c1)CNC2=O CM10840 [0,0,0,1,0,0|3,0,0]=4 64 B11R2.1 c1ccc2c(c1)c(=O)[nH][nH]2 CM10841 [0,0,0,1,0,0|3,0,0]=4 65 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,1,0,0|1,0,1]=3 66 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br CM10098 [0,0,0,1,0,0|3,0,0]=4 67 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,0,0,1,0,0|2,0,0]=3 68 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,1,0,0|2,0,0]=3 69 B11R2.20 c1cc2c(cccn2)nc1 CM10135 [0,0,0,1,0,0|2,0,1]=4 70 B11R2.20 c1ccc2cnccc2c1 CM14380 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.5 Cc1c(cccn1)N CM14488 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 Cc1cccnc1Cl CM13849 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 c1cc(c(nc1)O)F CM10987 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 c1ccc(c(c1)F)Cl CM12138 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 c1ccc(c(c1)I)I CM12234 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.5 c1ccc(c(c1)N)Br CM11265 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 c1ccc(c(c1)N)I CM11493 [2,0,0,0,0,0|2,0,0]=4 79 B10R1.2 CCc1cccc(c1F)O CM10380 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.2 CCc1cccc(c1O)Cl CM10496 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.2 COc1cccc(c1Br)I CM10146 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.2 COc1cccc(c1Br)N CM10475 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.2 COc1cccc(c1Cl)Cl CM11715 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.2 COc1cccc(c1Cl)N CM11554 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.2 COc1cccc(c1F)Br CM11633 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.2 COc1cccc(c1F)F CM11722 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.2 COc1cccc(c1F)N CM11575 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.2 COc1cccc(c1F)O CM10645 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 COc1cccc(c1I)F CM11753 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.2 COc1cccc(c1I)N CM11587 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.2 COc1cccc(c1N)F CM11569 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.2 COc1cccc(c1O)Cl CM10886 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.2 COc1cccc(c1O)F CM11754 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.2 Cc1c(cccc1Cl)C=O CM11895 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.2 Cc1c(cccc1Cl)SC CM10023 [1,1,0,0,0,0|0,1,1]=4 96 B10R1.2 Cc1c(cccc1F)C#N CM13091 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.2 Cc1c(cccc1F)C=O CM11971 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.2 Cc1c(cccc1OC)N CM11591 [1,1,0,0,0,0|0,0,1]=3 99 B10R1.2 Cc1c(ccnc1C=O)Br CM10400 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.2 Cc1cccc(c1C)CBr CM13401 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.2 Cc1cccc(c1C)OC CM11740 [1,1,0,0,0,0|0,0,1]=3 102 B10R1.2 Cc1cccc(c1Cl)C=O CM11894 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.2 Cc1cccc(c1F)C=O CM11968 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.2 c1cc(c(c(c1)Br)Br)C=O CM14314 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.2 c1cc(c(c(c1)Br)F)C=O CM11840 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.2 c1cc(c(c(c1)Br)O)C=O CM11851 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.2 c1cc(c(c(c1)Cl)Br)C=O CM10328 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.2 c1cc(c(c(c1)Cl)F)C=O CM11878 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.2 c1cc(c(c(c1)Cl)O)C#N CM10555 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.2 c1cc(c(c(c1)Cl)O)C=O CM11885 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.2 c1cc(c(c(c1)F)Cl)C=O CM11875 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.2 c1cc(c(c(c1)F)F)C=O CM10129 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.2 c1cc(c(c(c1)F)I)C=O CM11954 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.2 c1cc(c(c(c1)F)O)C=O CM10374 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.2 c1cc(c(c(c1)N)O)C#N CM10899 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.2 c1cc(c(c(c1)O)F)C=O CM10470 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.2 c1cc(c(c(c1)O)O)C#N CM10875 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.4 CCOc1cnccc1N CM10330 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.25 CCc1ccc(cc1Br)N CM10376 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.25 CCc1ccc(cc1Cl)N CM10383 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.25 COc1c(cc(cn1)Br)Br CM10171 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.25 COc1c(cc(cn1)Br)F CM10081 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.25 COc1ccc(cc1Br)F CM11629 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.25 COc1ccc(cc1Cl)F CM11675 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.25 COc1ccc(cc1F)Br CM11639 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.25 COc1ccc(cc1F)N CM11578 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.25 COc1ccc(cc1F)O CM10878 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.25 COc1ccc(cc1I)N CM11589 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.25 COc1ccc(cc1N)F CM10389 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.25 COc1ccc(cc1N)I CM11585 [1,1,0,0,0,0|1,0,0]=3 133 B10R1.25 Cc1cc(ccc1C#N)Br CM12985 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.25 Cc1cc(ccc1C#N)F CM13094 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.25 Cc1cc(ccc1C#N)O CM10086 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.25 Cc1cc(ccc1C=O)F CM11974 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.25 Cc1cc(ccc1C=O)O CM11992 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.25 Cc1cc(ccc1CN)Br CM10182 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.25 Cc1cc(ccc1CN)O CM10123 [1,1,0,0,0,0|1,0,1]=4 140 B10R1.25 Cc1cc(ccc1CO)Br CM13303 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.25 Cc1cc(ccc1OC)N CM11595 [1,1,0,0,0,0|0,0,1]=3 142 B10R1.25 Cc1ccc(c(c1)Cl)OC CM10214 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.25 Cc1ccc(c(c1)F)C=O CM11969 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.25 c1cc(c(cc1Br)Br)C=O CM11917 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.25 c1cc(c(cc1Br)Cl)C=O CM11829 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.25 c1cc(c(cc1Br)F)C=O CM11842 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.25 c1cc(c(cc1Br)O)C=O CM11853 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.25 c1cc(c(cc1Br)O)CO CM13296 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.25 c1cc(c(cc1Cl)F)C=O CM11881 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.25 c1cc(c(cc1Cl)O)C#N CM13012 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.25 c1cc(c(cc1Cl)O)C=O CM11886 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.25 c1cc(c(cc1F)Br)C=O CM11837 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.25 c1cc(c(cc1F)Cl)C=O CM11876 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.25 c1cc(c(cc1F)F)C=O CM11929 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.25 c1cc(c(cc1F)N)C=O CM11825 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.25 c1cc(c(cc1F)O)C=O CM11951 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.25 c1cc(c(cc1I)F)C=O CM11953 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.25 c1cc(c(cc1N)O)C#N CM10121 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.25 c1cc(c(cc1O)Br)C=O CM10868 [1,1,0,0,0,0|2,0,0]=4 160 B10R1.25 c1cc(c(cc1O)Cl)C=O CM10154 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.25 c1cc(c(cc1O)F)C=O CM11947 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.25 c1cc(c(cc1O)I)C=O CM10867 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.25 c1cc(c(cc1O)O)C#N CM14137 [1,1,0,0,0,0|1,0,1]=4 164 B10R1.30 CCc1cc(ccc1F)O CM10379 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.30 CCc1cc(ccc1N)Br CM11297 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.30 COc1c(ccc(n1)Br)N CM10431 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.30 COc1cc(ccc1Br)F CM11630 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.30 COc1cc(ccc1Br)I CM11648 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.30 COc1cc(ccc1Br)N CM11550 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.30 COc1cc(ccc1Cl)F CM11676 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.30 COc1cc(ccc1Cl)I CM11687 [1,1,0,0,0,0|1,0,0]=3 172 B10R1.30 COc1cc(ccc1Cl)N CM11557 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.30 COc1cc(ccc1Cl)O CM10884 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.30 COc1cc(ccc1F)F CM11723 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.30 COc1cc(ccc1F)N CM11582 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.30 COc1cc(ccc1F)O CM11756 [1,1,0,0,0,0|1,0,0]=3 177 B10R1.30 COc1cc(ccc1I)Br CM11652 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.30 COc1cc(ccc1I)Cl CM11691 [1,1,0,0,0,0|1,0,0]=3 179 B10R1.30 COc1cc(ccc1I)I CM10921 [1,1,0,0,0,0|1,0,0]=3 180 B10R1.30 COc1cc(ccc1N)Br CM10651 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.30 COc1cc(ccc1N)F CM11572 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.30 COc1cc(ccc1N)I CM11586 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.30 COc1cc(ccc1O)N CM10211 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.30 COc1cc(cnc1Br)I CM10904 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.30 COc1cc(cnc1I)I CM10902 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.30 Cc1ccc(c(c1)C#N)O CM10144 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.30 Cc1ccc(c(c1)C=O)F CM11970 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.30 Cc1ccc(c(c1)OC)Br CM11655 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.30 Cc1ccc(cc1C#N)F CM13096 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.30 Cc1ccc(cc1C#N)N CM12933 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.30 Cc1ccc(cc1C=O)Br CM11858 [1,1,0,0,0,0|1,0,0]=3 192 B10R1.30 Cc1ccc(cc1C=O)F CM11975 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.30 Cc1ccc(cc1CBr)F CM13415 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.30 Cc1ccc(cc1NN)F CM13802 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.30 c1cc(c(cc1Br)C=O)Cl CM11830 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.30 c1cc(c(cc1Br)C=O)F CM11844 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.30 c1cc(c(cc1Br)C=O)I CM11855 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.30 c1cc(c(cc1Cl)C=O)Br CM14485 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.30 c1cc(c(cc1Cl)C=O)N CM11824 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.30 c1cc(c(cc1F)C=O)Br CM11838 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.30 c1cc(c(cc1F)C=O)Cl CM11877 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.30 c1cc(c(cc1F)C=O)F CM11930 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.30 c1cc(c(cc1F)C=O)I CM11958 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.30 c1cc(c(cc1F)C=O)O CM11952 [1,1,0,0,0,0|1,0,0]=3 205 B10R1.30 c1cc(c(cc1O)C=O)F CM10372 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,1,0,0,0,0|1,0,1]=4 207 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.61 CN(C)c1ccccc1F CM11439 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.245 C=Cc1c(cccc1F)F CM13492 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.245 CCc1c(cccc1O)N CM10920 [1,1,0,0,0,0|0,0,2]=4 215 B10R1.245 COc1c(cccc1Br)F CM11631 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.245 COc1c(cccc1Br)O CM10876 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.245 COc1c(cccc1Cl)F CM11678 [1,1,0,0,0,0|1,0,0]=3 218 B10R1.245 COc1c(cccc1Cl)O CM10468 [1,1,0,0,0,0|1,0,0]=3 219 B10R1.245 COc1c(cccc1F)F CM11726 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.245 COc1c(cccc1F)N CM11574 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.245 COc1c(cccc1I)F CM11752 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.245 CSc1c(cccc1Br)O CM10097 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.245 Cc1cccc(c1C#N)Br CM12983 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.245 Cc1cccc(c1C#N)Cl CM13019 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.245 Cc1cccc(c1C#N)F CM13090 [1,1,0,0,0,0|1,0,1]=4 226 B10R1.245 Cc1cccc(c1C=O)C CM11940 [1,1,0,0,0,0|1,0,0]=3 227 B10R1.245 Cc1cccc(c1C=O)O CM10373 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.245 c1cc(c(c(c1)Br)C#N)O CM12977 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.245 c1cc(c(c(c1)Br)C=O)Cl CM10551 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.245 c1cc(c(c(c1)Br)C=O)F CM11839 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.245 c1cc(c(c(c1)Cl)C#N)O CM13009 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.245 c1cc(c(c(c1)Cl)C=O)O CM11884 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.245 c1cc(c(c(c1)F)C=O)F CM11931 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.245 c1cc(c(c(c1)F)C=O)O CM10484 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.46 CC(C)c1cc(ccc1C=O)O CM10871 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.46 COc1ccc(cc1C(=O)O)F CM10931 [0,2,0,0,0,0|1,0,0]=3 237 B12R1.57 COc1c(ccc(n1)F)C(=O)O CM10675 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.57 COc1cc(ccc1C(=O)O)F CM12752 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.57 COc1cc(ccc1C(=O)O)O CM10237 [0,2,0,0,0,0|1,0,0]=3 240 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Br CM11664 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.57 COc1cc(ccc1[N+](=O)[O-])Cl CM11697 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F CM11774 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.57 Cc1ccc(c(c1)OC)[N+](=O)[O-] CM11790 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.78 COc1cc(ccc1C=O)C#N CM11916 [0,2,0,0,0,0|1,0,0]=3 245 B12R1.78 COc1ccc(cc1OC)C=O CM13990 [0,2,0,0,0,0|1,0,1]=4 246 B12R1.78 COc1ccc(cc1OC)CCl CM10937 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.78 COc1ccc(cc1OC)CO CM13395 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.234 COc1cc(cc(c1C=O)F)Cl CM10913 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.448 COc1cc(c(cc1C#N)F)F CM13050 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.448 COc1cc(c(cc1C=O)F)F CM11937 [0,2,0,0,0,0|1,0,0]=3 251 B12R1.652 COc1ccc(c(c1C#N)F)F CM13047 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.652 COc1ccc(c(c1C=O)F)Br CM11845 [0,2,0,0,0,0|1,0,0]=3 253 B12R1.77 COC(=O)c1ccccc1CBr CM12526 [0,2,0,0,0,0|1,0,1]=4 254 B12R1.76 C=Cc1ccccc1C(F)(F)F CM13916 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.87 B(c1cccc(c1OC)F)(O)O CM13570 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] CM11660 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.87 COc1c(cccc1Cl)[N+](=O)[O-] CM11694 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.87 COc1c(cccc1F)C(=O)O CM12749 [0,2,0,0,0,0|1,0,0]=3 259 B12R1.261 CC(C)c1ccccc1C(=O)O CM12827 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.437 CC(=O)c1c(cccc1OC)O CM11215 [0,2,0,0,0,0|0,0,1]=3 261 B12R1.437 COc1cccc(c1C(=O)O)Br CM12522 [0,2,0,0,0,0|1,0,0]=3 262 B12R1.437 COc1cccc(c1C(=O)O)F CM10857 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.437 COc1cccc(c1C(=O)O)N CM12424 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.437 Cc1cccc(c1C(=O)N)OC CM13182 [0,2,0,0,0,0|1,0,0]=3 265 B12R1.437 Cc1cccc(c1C(=O)O)OC CM12829 [0,2,0,0,0,0|1,0,0]=3 266 B12R1.741 COc1c(ccc(c1CO)Cl)Cl CM13348 [0,2,0,0,0,0|1,0,1]=4 267 B12R1.1879 COc1cccc(c1OC)C#N CM13058 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.1879 COc1cncc(c1C=O)OC CM10828 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.15 COC(=O)c1cccnc1 CM10959 [0,0,1,1,0,0|2,0,0]=4 270 B10R1.172 COc1cccc(c1)CCl CM10947 [0,0,1,1,0,0|1,0,1]=4 271 B10R1.172 COc1ccnc(c1)C=O CM10390 [0,0,1,1,0,0|2,0,0]=4 272 B10R1.176 COc1ccc(c(c1)Br)Br CM11710 [0,0,1,1,0,0|2,0,0]=4 273 B10R1.176 COc1ccc(c(c1)Br)Cl CM11606 [0,0,1,1,0,0|2,0,0]=4 274 B10R1.176 COc1ccc(c(c1)Br)F CM11635 [0,0,1,1,0,0|2,0,0]=4 275 B10R1.176 COc1ccc(c(c1)Br)N CM11549 [0,0,1,1,0,0|2,0,0]=4 276 B10R1.176 COc1ccc(c(c1)Br)O CM10826 [0,0,1,1,0,0|2,0,0]=4 277 B10R1.176 COc1ccc(c(c1)Cl)Br CM11609 [0,0,1,1,0,0|2,0,0]=4 278 B10R1.176 COc1ccc(c(c1)Cl)I CM10120 [0,0,1,1,0,0|2,0,0]=4 279 B10R1.176 COc1ccc(c(c1)Cl)N CM10924 [0,0,1,1,0,0|2,0,0]=4 280 B10R1.176 COc1ccc(c(c1)F)Br CM11640 [0,0,1,1,0,0|2,0,0]=4 281 B10R1.176 COc1ccc(c(c1)F)Cl CM11682 [0,0,1,1,0,0|2,0,0]=4 282 B10R1.176 COc1ccc(c(c1)F)N CM11580 [0,0,1,1,0,0|2,0,0]=4 283 B10R1.176 COc1ccc(c(c1)F)O CM10554 [0,0,1,1,0,0|2,0,0]=4 284 B10R1.176 COc1ccc(c(c1)I)Br CM11651 [0,0,1,1,0,0|2,0,0]=4 285 B10R1.176 COc1ccc(c(c1)I)N CM11588 [0,0,1,1,0,0|2,0,0]=4 286 B10R1.176 COc1ccc(c(c1)N)Cl CM11555 [0,0,1,1,0,0|2,0,0]=4 287 B10R1.176 COc1ccc(c(c1)N)F CM11576 [0,0,1,1,0,0|2,0,0]=4 288 B10R1.176 COc1ccc(c(c1)N)N CM11705 [0,0,1,1,0,0|2,0,0]=4 289 B10R1.176 COc1ccc(c(c1)N)N CM11706 [0,0,1,1,0,0|2,0,0]=4 290 B10R1.176 Cc1cc(ccc1Br)OC CM10191 [0,0,1,1,0,0|1,0,1]=4 291 B10R1.176 Cc1cc(ccc1N)OC CM11596 [0,0,1,1,0,0|1,0,1]=4 292 B10R1.176 Cc1ccc(cc1Br)OC CM11656 [0,0,1,1,0,0|1,0,1]=4 293 B10R1.176 Cc1ccc(cc1F)OC CM11761 [0,0,1,1,0,0|1,0,1]=4 294 B10R1.176 Cc1ccc(cc1N)OC CM11592 [0,0,1,1,0,0|1,0,1]=4 295 B10R2.7 c1c[nH]c2c1ccnc2 CM14075 [1,0,0,1,0,0|2,0,0]=4 296 B10R2.7 c1c[nH]c2c1cncc2 CM10258 [1,0,0,1,0,0|2,0,0]=4 297 B10R2.7 c1cc2c(cc[nH]2)nc1 CM14073 [1,0,0,1,0,0|2,0,0]=4 298 B10R2.7 c1cc2cc[nH]c2nc1 CM14215 [1,0,0,1,0,0|2,0,0]=4 299 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,1,0,0|1,0,1]=4 300 B10R2.7 c1ccn2cccc2c1 CM10848 [1,0,0,1,0,0|1,0,1]=4 301 B12R2.24 c1cc(cc2c1ccnc2)O CM10593 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.24 c1cc2c(cc1Br)NCCO2 CM10585 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.24 c1cc2c(cc1Br)OCCN2 CM10582 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.24 c1cc2c(cc1Cl)NCCO2 CM10578 [0,1,0,1,0,0|1,0,1]=4 305 B12R2.24 c1cc2c(cc1O)OCCN2 CM10299 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.24 c1cc2cc(ccc2nc1)I CM13892 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.24 c1cc2cnccc2cc1F CM10586 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.132 Cn1c2cc(ccc2cn1)Br CM10481 [0,1,0,1,0,0|2,0,0]=4 309 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 CM14374 [0,1,0,1,0,0|2,0,0]=4 310 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [0,1,0,1,0,0|1,0,0]=3 311 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [0,1,0,1,0,0|1,0,0]=3 312 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [0,1,0,1,0,0|1,0,0]=3 313 B12R2.612 Cn1c2ccc(cc2cn1)Br CM10482 [0,1,0,1,0,0|2,0,0]=4 314 B12R2.612 Cn1cnc2c1ccc(c2)Br CM10910 [0,1,0,1,0,0|2,0,0]=4 315 B12R2.612 c1cc2c(cc1Br)CCC2=O CM14359 [0,1,0,1,0,0|2,0,0]=4 316 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,1,0,1,0,0|1,0,0]=3 317 B12R2.612 c1cc2c(cc1Br)onc2Cl CM10126 [0,1,0,1,0,0|2,0,0]=4 318 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,1,0,1,0,0|1,0,0]=3 319 B12R2.612 c1cc2c(cc1Cl)onc2O CM13873 [0,1,0,1,0,0|2,0,0]=4 320 B12R2.612 c1cc2c(cc1F)CCC2=O CM14361 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,1,0,1,0,0|1,0,0]=3 322 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 CM10169 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,1,0,0|2,0,0]=4 324 B12R2.315 COc1ccnc2c1cc[nH]2 CM14134 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.315 c1cc(c2cc[nH]c2c1)C=O CM10925 [0,1,0,1,0,0|2,0,0]=4 326 B12R2.315 c1cc(c2ccoc2c1)C#N CM10758 [0,1,0,1,0,0|2,0,0]=4 327 B12R2.315 c1cc(c2ccoc2c1)C=O CM10759 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.1081 c1cc2c(c(c1)O)OCCN2 CM10580 [0,1,0,1,0,0|1,0,1]=4 329 B12R2.1081 c1cc2cnccc2c(c1)Br CM10257 [0,1,0,1,0,0|2,0,0]=4 330 B12R2.1081 c1cc2cnccc2c(c1)N CM10928 [0,1,0,1,0,0|2,0,0]=4 331 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 CM10829 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|0,0,1]=3 333 B12R2.1081 c1ccc2c(c1)C(CCO2)N CM10306 [0,1,0,1,0,0|0,0,2]=4 334 B12R2.1081 c1ccc2c(c1)CCOC2=O CM10132 [0,1,0,1,0,0|2,0,0]=4 335 B12R2.1081 c1ccc2c(c1)cccc2I CM13878 [0,1,0,1,0,0|1,0,1]=4 336 B12R2.1081 c1ccc2c(c1)ccnc2Cl CM10596 [0,1,0,1,0,0|2,0,0]=4 337 B12R2.1081 c1ccc2c(c1)ccnc2N CM10316 [0,1,0,1,0,0|2,0,0]=4 338 B12R2.2028 Cn1cc(c2c1cccc2)Br CM10604 [0,1,0,1,0,0|1,0,0]=3 339 B12R2.196 Cn1c2cccc(c2cn1)O CM10815 [0,1,0,1,0,0|2,0,0]=4 340 B12R2.196 Cn1cnc2c1cccc2Br CM13870 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.196 c1cc2c(c(c1)Br)CCC2=O CM10103 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O CM10362 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.196 c1cc2c(c(c1)F)CCC2=O CM10386 [0,1,0,1,0,0|2,0,0]=4