0 B11R2.106 c1[nH]c2c(n1)ncnc2Br LS20606 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.106 c1[nH]c2c(n1)ncnc2Cl LS20605 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.106 c1[nH]c2c(n1)ncnc2F LS20604 [0,0,0,0,0,0|3,0,1]=4 3 B11R2.106 c1[nH]c2c(n1)ncnc2I LS20607 [0,0,0,0,0,0|3,0,1]=4 4 B11R2.106 c1[nH]c2c(n1)ncnc2S LS20858 [0,0,0,0,0,0|2,1,1]=4 5 B11R2.106 c1[nH]c2c(n1)ncnc2S LS40548 [0,0,0,0,0,0|2,1,1]=4 6 B11R2.106 c1c[nH]c2c1c(ccn2)Br LS20490 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.106 c1c[nH]c2c1c(ccn2)Cl LS40318 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.106 c1c[nH]c2c1c(ccn2)F LS40896 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.106 c1c[nH]c2c1c(ncn2)N LS40962 [0,0,0,0,0,0|2,0,0]=2 10 B11R2.106 c1c[nH]c2c1c(ncn2)O LS40213 [0,0,0,0,0,0|1,0,0]=1 11 B11R2.106 c1c[nH]c2c1ncnc2Cl LS40093 [0,0,0,0,0,0|4,0,0]=4 12 B11R2.106 c1cc(c2cc[nH]c2c1)N LS21193 [0,0,0,0,0,0|4,0,0]=4 13 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl LS00129 [0,0,0,0,0,0|4,0,0]=4 14 B11R2.106 c1cc2c(cc[nH]2)c(c1)F LS20629 [0,0,0,0,0,0|4,0,0]=4 15 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br LS20792 [0,0,0,0,0,0|3,0,0]=3 16 B11R2.106 c1cc2c(cn[nH]2)c(c1)F LS20965 [0,0,0,0,0,0|3,0,0]=3 17 B11R2.106 c1cc2c(ncnn2c1)Cl LS40859 [0,0,0,0,0,0|4,0,0]=4 18 B11R2.106 c1cnc-2[nH]cnc(c12)Cl LS40282 [0,0,0,0,0,0|2,0,2]=4 19 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,0,0,0|2,0,1]=4 20 B10R2.7 c1cc2cc[nH]c2nc1 LS21042 [1,0,0,0,0,0|2,0,0]=3 21 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,0,0,0|2,0,0]=3 22 B10R2.7 c1cnc-2[nH]cncc12 LS40963 [1,0,0,0,0,0|1,0,2]=4 23 B12R2.82 c1c[nH]c2c1c(c(cn2)Br)Cl LS20804 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.203 c1c(c2c([nH]1)ncnc2Cl)I LS40960 [0,1,0,0,0,0|2,0,0]=3 25 B12R2.246 c1c2c([nH]n1)nc(nc2Cl)Cl LS40025 [0,1,0,0,0,0|1,0,0]=2 26 B12R2.246 c1c[nH]c2c1c(nc(c2)Cl)Cl LS21135 [0,1,0,0,0,0|3,0,0]=4 27 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.315 c1c[nH]c2c1c(ccn2)C#N LS20803 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.2 CCc1c(c(ncn1)O)F LS40589 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.245 COc1c(ncnc1O)O LS20087 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl LS20453 [0,0,1,0,0,0|3,0,0]=4 32 B12R2.1081 c1ccc2c(c1)c(ccn2)O LS21125 [0,0,0,0,0,1|3,0,0]=4 33 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl LS21169 [0,0,0,0,0,1|3,0,0]=4 34 B12R2.1081 c1cnnc2c1c(=O)[nH]cn2 LS40127 [0,0,0,0,0,1|0,0,3]=4 35 B9R1.2 c1c(ncnc1O)NN LS20113 [1,0,1,0,0,0|0,0,1]=3 36 B9R1.3 c1nc(c(c(n1)N)N)N LS20623 [1,0,1,0,0,0|1,0,1]=4 37 B9R1.15 COc1cncnc1N LS20720 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,1,0,0,0|2,0,0]=4 40 B11R2.1 c1c(c2cncnc2[nH]1)I LS40983 [1,1,0,0,0,0|1,0,0]=3 41 B11R2.1 c1cc2c(c[nH]c2nc1)Br LS40010 [1,1,0,0,0,0|2,0,0]=4 42 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,1,0,0,0,0|2,0,0]=4 43 B11R2.36 c1c[nH]c2c1cc(cn2)Br LS00010 [1,1,0,0,0,0|2,0,0]=4 44 B11R2.36 c1c[nH]c2c1cc(cn2)Cl LS20805 [1,1,0,0,0,0|2,0,0]=4 45 B11R2.36 c1cc(nc2c1cc[nH]2)Br LS40890 [1,1,0,0,0,0|2,0,0]=4 46 B11R2.36 c1cc(nc2c1cc[nH]2)Cl LS20806 [1,1,0,0,0,0|2,0,0]=4 47 B11R2.36 c1cc(nc2c1cc[nH]2)F LS40390 [1,1,0,0,0,0|2,0,0]=4 48 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,1,0,0,0,0|2,0,0]=4 49 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [1,1,0,0,0,0|2,0,0]=4 50 B13R2.162 c1cc2c(cc1Br)c(ncn2)O LS40887 [0,1,0,0,0,1|2,0,0]=4 51 B13R2.162 c1cc2c(cc1I)c(ncn2)O LS20468 [0,1,0,0,0,1|2,0,0]=4 52 B13R2.4818 c1cc2c(c(c1)Br)c(ncn2)O LS40883 [0,1,0,0,0,1|2,0,0]=4 53 B13R2.5569 c1cc(c2cn[nH]c2c1)C(=O)O LS21188 [0,2,0,0,0,0|2,0,0]=4