0 B12R2.246 C1=NN=C2=C(N=C(N=C21)O)O AB07081 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.246 C1=NN=C2=NC(=NC(=C21)Cl)Cl PB17672 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.246 C1=NN=C2=NC(=NC(=C21)Cl)N AB43140 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.246 C1=NN=C2=NC(=NC(=C21)O)O AB02032 [0,0,0,0,0,0|0,0,2]=2 4 B12R2.246 C1C=c2c(=N1)nc(nc2Cl)Cl PB30992 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.246 C1C=c2c(=N1)nc(nc2Cl)N PB32491 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.246 C1C=c2c(=N1)nc(nc2O)O AB13136 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.246 C1Cc2c(nc(nc2O)O)C1 AB12723 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.246 Cc1[nH]c-2nccc2c(n1)O AB20779 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.246 Cc1[nH]c-2nncc2c(n1)Cl AB59145 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.246 Cc1nc(c2c(n1)N=NC2)N MB02188 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.246 Cc1nc(c2ccsc2n1)O AB63792 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.246 Cc1nc2c(ccs2)c(n1)Cl AB13002 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.246 c1c(c2cscc2nc1O)O AB56180 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.246 c1c2c(cs1)nc(nc2Cl)Cl PB10808 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.246 c1c2c(cs1)nc(nc2O)O AB55912 [0,0,0,0,0,0|2,0,0]=2 16 B12R2.246 c1c2c(nc(nn2cn1)Cl)Cl AB64082 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.246 c1coc2c1c(nc(n2)N)N AB66268 [0,0,0,0,0,0|4,0,0]=4 18 B12R2.246 c1csc2c1c(cc(n2)O)O AB56046 [0,0,0,0,0,0|3,0,0]=3 19 B12R2.246 c1csc2c1c(nc(n2)Cl)Cl PB20371 [0,0,0,0,0,0|4,0,0]=4 20 B12R2.246 c1csc2c1c(nc(n2)S)N AB42097 [0,0,0,0,0,0|3,1,0]=4 21 B12R2.246 c1csc2c1nc(cc2O)O AB43121 [0,0,0,0,0,0|4,0,0]=4 22 B11R2.36 C1=C2C=NC(=O)N=C2N=C1 MB05396 [1,0,0,0,0,0|1,0,2]=4 23 B11R2.36 C1C=C2C=CN=C2N=C1O AB44403 [1,0,0,0,0,0|2,0,1]=4 24 B11R2.36 C1C=C2C=NN=C2N=C1Br AB66635 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.36 C1C=C2C=NN=C2N=C1Cl PB31400 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.36 c1c2=CCN=c2nc(n1)N PB18009 [1,0,0,0,0,0|2,0,1]=4 27 B11R2.36 c1c2c(nc(n1)Cl)N=NC2 PB20477 [1,0,0,0,0,0|1,0,2]=4 28 B11R2.36 c1csc2c1cnc(n2)Cl PB11077 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.106 C1=C(C2C=NN=C2N=C1)O PB12601 [1,0,0,0,0,0|1,0,2]=4 30 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [1,0,0,0,0,0|1,0,2]=4 31 B11R2.106 C1=C2C(=NC=NC2=O)N=C1 PB29165 [1,0,0,0,0,0|1,0,2]=4 32 B11R2.106 C1=C2C(=NC=NC2=O)N=N1 PB12180 [1,0,0,0,0,0|0,0,2]=3 33 B11R2.106 C1=NN=C2=C1C(=NC=N2)N AB00505 [1,0,0,0,0,0|1,0,2]=4 34 B11R2.106 C1=NN=C2=NC=NC(=C21)Br PB20524 [1,0,0,0,0,0|1,0,2]=4 35 B11R2.106 C1=NN=C2=NC=NC(=C21)Cl PB20011 [1,0,0,0,0,0|1,0,2]=4 36 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [1,0,0,0,0,0|2,0,1]=4 37 B11R2.106 c1c2c(cs1)ncnc2Cl AB63955 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.106 c1c2c(ncnn2cn1)Cl PB31030 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.106 c1cnc(c2c1onc2)Cl AB71663 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [1,0,0,0,0,0|2,0,1]=4 41 B11R2.106 c1coc2c1c(ncn2)Cl PB28041 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.106 c1coc2c1c(ncn2)N PB20409 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.106 c1coc2c1ncnc2O AB52914 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.106 c1csc2c1c(ncn2)Cl PB14219 [1,0,0,0,0,0|3,0,0]=4 45 B11R2.106 c1nc(c2=CCN=c2n1)N PB17227 [1,0,0,0,0,0|2,0,1]=4 46 B11R2.106 c1nc2=NCC=c2c(n1)Cl MB69434 [1,0,0,0,0,0|2,0,1]=4 47 B11R2.106 c1nc2=NCC=c2c(n1)Cl PB12763 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.106 c1nc2=NCC=c2c(n1)I PB33386 [1,0,0,0,0,0|2,0,1]=4 49 B13R2.623 COc1c2c(nc(n1)N)N=NC2 AB50503 [0,1,0,0,0,0|1,0,2]=4 50 B13R2.654 COc1[nH]c-2nncc2c(n1)Cl AB68350 [0,1,0,0,0,0|1,0,2]=4 51 B13R2.3742 Cc1csc2c1nc(nc2O)O AB56027 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.3742 Cn1c2c(cn1)c(nc(n2)Cl)Cl PB23666 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.3742 Cn1ccc2c1nc(nc2Cl)Cl AB68384 [0,1,0,0,0,0|3,0,0]=4 54 B13R2.5397 Cc1cc2c(nc(nc2s1)C)O AB63947 [0,1,0,0,0,0|3,0,0]=4 55 B13R2.5397 Cc1cc2c(s1)c(nc(n2)O)O AB56029 [0,1,0,0,0,0|3,0,0]=4 56 B13R2.11642 Cc1csc2c1c(nc(n2)O)O AB56034 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.11642 c12c([nH]nc1Br)nc(nc2Cl)Cl AB59141 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl PB16298 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.25 Cc1ncc(c(n1)N)C=O AB53802 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.25 c1c(c(cnc1O)C=O)O AB69704 [1,0,1,0,0,0|2,0,0]=4 61 B10R1.25 c1c(c(nc(n1)Cl)N)C=O AB76994 [1,0,1,0,0,0|2,0,0]=4 62 B10R1.25 c1c(c(nc(n1)N)N)C=O AB21344 [1,0,1,0,0,0|2,0,0]=4 63 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [1,0,1,0,0,0|2,0,0]=4 64 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [1,0,1,0,0,0|2,0,0]=4 65 B10R1.245 c1nc(c(c(n1)Cl)C=O)N AB16151 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.245 c1nc(c(c(n1)N)C=O)N AB54931 [1,0,1,0,0,0|2,0,0]=4 67 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [2,0,0,0,0,0|1,0,1]=4 68 B10R2.7 c1c2c(ncn1)N=NC2 MB03781 [2,0,0,0,0,0|0,0,2]=4 69 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [2,0,0,0,0,0|1,0,1]=4 70 B12R2.44 COC1=NC=C2C=NN=C2C1 AB74066 [1,1,0,0,0,0|1,0,1]=4 71 B12R2.132 Cn1c2cc(ccc2cn1)O MB01167 [1,1,0,0,0,0|2,0,0]=4 72 B12R2.132 Cn1ccc2c1nc(nc2)Cl PB13581 [1,1,0,0,0,0|2,0,0]=4 73 B12R2.196 Cn1c2c(cn1)c(ncn2)Cl PB24673 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.196 Cn1c2c(cn1)c(ncn2)N MB00710 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [1,1,0,0,0,0|2,0,0]=4 76 B12R2.196 Cn1ccc2c1ncnc2Cl PB10158 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.202 Cc1cc2c(ncnc2o1)O AB63964 [1,1,0,0,0,0|2,0,0]=4 78 B12R2.202 Cc1cc2c(ncnc2s1)O AB17509 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.203 CC1=c2c(=NC1)ncnc2O AB68251 [1,1,0,0,0,0|1,0,1]=4 80 B14R2.8235 c1cc2c(cc1F)c(nc(n2)O)O CB11607 [0,1,0,0,0,1|2,0,0]=4 81 B14R2.29365 c1cc(nc2c1c(nc(n2)O)O)Cl AB65736 [0,1,0,0,0,1|1,0,1]=4 82 B12R2.1081 c1c2c(c(ncn2)Cl)ncn1 AB63437 [1,0,0,0,0,1|2,0,0]=4 83 B12R2.1081 c1c2c(ncnc2ncn1)N AB11621 [1,0,0,0,0,1|1,0,1]=4 84 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [1,0,0,0,0,1|2,0,0]=4 85 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [1,0,0,0,0,1|2,0,0]=4