0 B11R2.106 C1=C(C2C=NN=C2N=C1)Br PB14843 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.106 C1=C(C2C=NN=C2N=C1)Cl PB14970 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.106 C1=C(C2C=NN=C2N=C1)I PB23907 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.106 C1=C(C2C=NN=C2N=C1)N MB08810 [0,0,0,0,0,0|2,0,2]=4 4 B11R2.106 C1=C(C2C=NN=C2N=C1)O PB12601 [0,0,0,0,0,0|1,0,2]=3 5 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [0,0,0,0,0,0|1,0,2]=3 6 B11R2.106 C1=C2C(=NC=NC2=O)N=C1 PB29165 [0,0,0,0,0,0|1,0,2]=3 7 B11R2.106 C1=C2C(=NC=NC2=O)N=N1 PB12180 [0,0,0,0,0,0|0,0,2]=2 8 B11R2.106 C1=CN=C2C1=NC=NC2=O PB28030 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.106 C1=NC2=NC=NC(=S)C2=N1 AB16826 [0,0,0,0,0,0|2,1,1]=4 10 B11R2.106 C1=NN=C2=C(N=CN=C21)Cl PB18110 [0,0,0,0,0,0|3,0,1]=4 11 B11R2.106 C1=NN=C2=C1C(=NC=N2)N AB00505 [0,0,0,0,0,0|1,0,2]=3 12 B11R2.106 C1=NN=C2=NC=NC(=C21)Br PB20524 [0,0,0,0,0,0|1,0,2]=3 13 B11R2.106 C1=NN=C2=NC=NC(=C21)Cl PB20011 [0,0,0,0,0,0|1,0,2]=3 14 B11R2.106 C1C=C2C(=CN=N2)C(=N1)Br PB28426 [0,0,0,0,0,0|2,0,2]=4 15 B11R2.106 C1C=C2C(=CN=N2)C(=N1)Cl PB13466 [0,0,0,0,0,0|2,0,2]=4 16 B11R2.106 C1C=C2C(=CN=N2)C(=N1)N MB11795 [0,0,0,0,0,0|2,0,2]=4 17 B11R2.106 C1C=CC(=C2C1=NC=C2)O AB00472 [0,0,0,0,0,0|3,0,1]=4 18 B11R2.106 C1C=CC(=C2C1=NN=C2)Br PB12348 [0,0,0,0,0,0|3,0,1]=4 19 B11R2.106 C1C=CC(=C2C1=NN=C2)Cl PB29043 [0,0,0,0,0,0|3,0,1]=4 20 B11R2.106 C1C=CC(=C2C1=NN=C2)F PB12462 [0,0,0,0,0,0|3,0,1]=4 21 B11R2.106 C1C=CC(=C2C1=NN=C2)I PB27826 [0,0,0,0,0,0|3,0,1]=4 22 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [0,0,0,0,0,0|2,0,1]=3 23 B11R2.106 CC1=C2C=CN=C2N=CC1 PB19900 [0,0,0,0,0,0|3,0,1]=4 24 B11R2.106 CC1=C2C=NN=C2C=CC1 MB03676 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.106 Cc1c2c(ncn1)N=CC2 PB13597 [0,0,0,0,0,0|2,0,2]=4 26 B11R2.106 c1[nH]c-2nnnc2c(n1)Cl AB43286 [0,0,0,0,0,0|2,0,2]=4 27 B11R2.106 c1c2c(cs1)ncnc2Cl AB63955 [0,0,0,0,0,0|3,0,0]=3 28 B11R2.106 c1c2c(ncnn2cn1)Cl PB31030 [0,0,0,0,0,0|3,0,0]=3 29 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,0,0,0,0,0|4,0,0]=4 30 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,0,0,0,0,0|3,0,1]=4 31 B11R2.106 c1cc2c(ncnn2c1)Cl PB19155 [0,0,0,0,0,0|4,0,0]=4 32 B11R2.106 c1cc2c(ncnn2c1)N PB17489 [0,0,0,0,0,0|4,0,0]=4 33 B11R2.106 c1cn2cncc2c(n1)N AB53142 [0,0,0,0,0,0|4,0,0]=4 34 B11R2.106 c1cnc(c2=CCN=c21)Br PB25087 [0,0,0,0,0,0|3,0,1]=4 35 B11R2.106 c1cnc(c2c1NCC2)Br AB73026 [0,0,0,0,0,0|3,0,1]=4 36 B11R2.106 c1cnc(c2c1NCC2)Cl PB31568 [0,0,0,0,0,0|3,0,1]=4 37 B11R2.106 c1cnc(c2c1occ2)N AB52908 [0,0,0,0,0,0|4,0,0]=4 38 B11R2.106 c1cnc(c2c1onc2)Cl AB71663 [0,0,0,0,0,0|3,0,0]=3 39 B11R2.106 c1cnc(c2c1scc2)Cl PB27550 [0,0,0,0,0,0|4,0,0]=4 40 B11R2.106 c1cnc2=NCC=c2c1Br PB31039 [0,0,0,0,0,0|3,0,1]=4 41 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,0,0,0,0,0|3,0,1]=4 42 B11R2.106 c1cnc2=NCC=c2c1F PB15996 [0,0,0,0,0,0|3,0,1]=4 43 B11R2.106 c1cnc2=NCC=c2c1N PB25081 [0,0,0,0,0,0|3,0,1]=4 44 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,0,0,0,0,0|2,0,1]=3 45 B11R2.106 c1cnc2c(c1Br)CCN2 AB76365 [0,0,0,0,0,0|3,0,1]=4 46 B11R2.106 c1cnc2c(c1Br)N=NC2 AB71461 [0,0,0,0,0,0|4,0,0]=4 47 B11R2.106 c1cnc2c(c1Cl)N=NC2 PB19187 [0,0,0,0,0,0|4,0,0]=4 48 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [0,0,0,0,0,0|4,0,0]=4 49 B11R2.106 c1cnc2c(c1I)CCN2 AB85220 [0,0,0,0,0,0|3,0,1]=4 50 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,0,0,0,0,0|4,0,0]=4 51 B11R2.106 c1coc2c1c(ncn2)Cl PB28041 [0,0,0,0,0,0|3,0,0]=3 52 B11R2.106 c1coc2c1c(ncn2)N PB20409 [0,0,0,0,0,0|3,0,0]=3 53 B11R2.106 c1coc2c1ncnc2Cl PB17670 [0,0,0,0,0,0|4,0,0]=4 54 B11R2.106 c1coc2c1ncnc2O AB52914 [0,0,0,0,0,0|3,0,0]=3 55 B11R2.106 c1csc2c1c(ncn2)Cl PB14219 [0,0,0,0,0,0|3,0,0]=3 56 B11R2.106 c1csc2c1ncnc2Cl PB24607 [0,0,0,0,0,0|4,0,0]=4 57 B11R2.106 c1csc2c1ncnc2N AB52930 [0,0,0,0,0,0|4,0,0]=4 58 B11R2.106 c1nc(c2=CCN=c2n1)N PB17227 [0,0,0,0,0,0|2,0,1]=3 59 B11R2.106 c1nc2=CCN=c2c(n1)Cl PB34131 [0,0,0,0,0,0|4,0,0]=4 60 B11R2.106 c1nc2=CCN=c2c(n1)N PB20599 [0,0,0,0,0,0|4,0,0]=4 61 B11R2.106 c1nc2=NCC=c2c(n1)Cl MB69434 [0,0,0,0,0,0|2,0,1]=3 62 B11R2.106 c1nc2=NCC=c2c(n1)Cl PB12763 [0,0,0,0,0,0|2,0,1]=3 63 B11R2.106 c1nc2=NCC=c2c(n1)I PB33386 [0,0,0,0,0,0|2,0,1]=3 64 B11R2.106 c1nc2c(c(n1)Cl)CCC2 PB34729 [0,0,0,0,0,0|3,0,1]=4 65 B11R2.106 c1nc2c(c(n1)Cl)CNC2 AB68455 [0,0,0,0,0,0|2,0,2]=4 66 B11R2.106 c1nc2c(c(n1)Cl)COC2 AB76323 [0,0,0,0,0,0|3,0,1]=4 67 B10R2.7 C1=NN=C2C1N=CN=C2 AB74091 [1,0,0,0,0,0|2,0,1]=4 68 B10R2.7 C1C=C2C(=CN=N2)C=N1 PB20648 [1,0,0,0,0,0|1,0,2]=4 69 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [1,0,0,0,0,0|1,0,1]=3 70 B10R2.7 c1c2=NCC=c2ncn1 PB22262 [1,0,0,0,0,0|3,0,0]=4 71 B10R2.7 c1c2c(ncn1)CNC2 PB18873 [1,0,0,0,0,0|1,0,2]=4 72 B10R2.7 c1c2c(ncn1)N=NC2 MB03781 [1,0,0,0,0,0|0,0,2]=3 73 B10R2.7 c1c2c(ncn1)NCC2 AB68426 [1,0,0,0,0,0|1,0,1]=3 74 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,0,0,0|2,0,1]=4 75 B10R2.7 c1cncc2=CCN=c21 PB12213 [1,0,0,0,0,0|2,0,1]=4 76 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [1,0,0,0,0,0|2,0,1]=4 77 B12R2.196 Cc1ncc2n1ncnc2Cl AB85244 [0,1,0,0,0,0|3,0,0]=4 78 B12R2.196 Cn1c2c(cn1)c(ncn2)Cl PB24673 [0,1,0,0,0,0|1,0,0]=2 79 B12R2.196 Cn1c2c(cn1)c(ncn2)N MB00710 [0,1,0,0,0,0|1,0,0]=2 80 B12R2.196 Cn1c2cccc(c2cn1)Br PB23714 [0,1,0,0,0,0|3,0,0]=4 81 B12R2.196 Cn1c2cccc(c2cn1)F MB09182 [0,1,0,0,0,0|3,0,0]=4 82 B12R2.196 Cn1c2cccc(c2cn1)I PB34667 [0,1,0,0,0,0|3,0,0]=4 83 B12R2.196 Cn1c2cccc(c2cn1)N PB22298 [0,1,0,0,0,0|3,0,0]=4 84 B12R2.196 Cn1c2cccc(c2cn1)O MB10366 [0,1,0,0,0,0|2,0,0]=3 85 B12R2.196 Cn1ccc2c1nccc2Br PB15126 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.196 Cn1ccc2c1nccc2Cl PB20579 [0,1,0,0,0,0|3,0,0]=4 87 B12R2.196 Cn1ccc2c1ncnc2Cl PB10158 [0,1,0,0,0,0|2,0,0]=3 88 B12R2.196 c1c2c(c(s1)Br)ncnc2N PB38534 [0,1,0,0,0,0|3,0,0]=4 89 B12R2.196 c1cc2c(cnn2N)c(c1)Cl MB14932 [0,1,0,0,0,0|3,0,0]=4 90 B12R2.196 c1cc2c(cnn2O)c(c1)Cl MB69255 [0,1,0,0,0,0|3,0,0]=4 91 B12R2.196 c1cc2c(cnn2O)c(c1)F MB69251 [0,1,0,0,0,0|3,0,0]=4 92 B12R2.202 Cc1cc2c(ncnc2o1)O AB63964 [0,1,0,0,0,0|2,0,0]=3 93 B12R2.202 Cc1cc2c(ncnc2s1)N AB43586 [0,1,0,0,0,0|3,0,0]=4 94 B12R2.202 Cc1cc2c(ncnc2s1)O AB17509 [0,1,0,0,0,0|2,0,0]=3 95 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [0,1,0,0,0,0|3,0,0]=4 96 B12R2.202 Cc1cc2c(o1)ncnc2Cl AB63965 [0,1,0,0,0,0|3,0,0]=4 97 B12R2.202 Cc1cc2c(s1)ncnc2Cl PB27587 [0,1,0,0,0,0|3,0,0]=4 98 B12R2.202 Cn1cc2c(n1)ncnc2Cl PB15235 [0,1,0,0,0,0|1,0,2]=4 99 B12R2.202 c1c2c(ncnc2Cl)sc1Br PB31368 [0,1,0,0,0,0|3,0,0]=4 100 B12R2.202 c1nc2c(c(n1)Cl)CC(=O)N2 PB22259 [0,1,0,0,0,0|2,0,1]=4 101 B12R2.203 C1=NC2C(=C(N=N2)Br)C(=N1)N PB20719 [0,1,0,0,0,0|1,0,2]=4 102 B12R2.203 C1=NC2C(=C(N=N2)I)C(=N1)N PB15752 [0,1,0,0,0,0|1,0,2]=4 103 B12R2.203 CC1=C2C(=NC=NC2=O)SC1 AB04759 [0,1,0,0,0,0|2,0,1]=4 104 B12R2.203 CC1=NN=C2=C1C(=NC=N2)N MB13541 [0,1,0,0,0,0|1,0,2]=4 105 B12R2.203 CC1=c2c(=NC1)ncnc2Cl PB25138 [0,1,0,0,0,0|2,0,1]=4 106 B12R2.203 CC1=c2c(=NC1)ncnc2O AB68251 [0,1,0,0,0,0|1,0,1]=3 107 B12R2.203 Cc1c2c(ncnn2cn1)Cl PB12493 [0,1,0,0,0,0|3,0,0]=4 108 B12R2.203 Cc1ccn2c1c(ncn2)O PB13981 [0,1,0,0,0,0|3,0,0]=4 109 B12R2.203 Cc1coc2c1c(ncn2)N AB65972 [0,1,0,0,0,0|3,0,0]=4 110 B12R2.203 Cc1csc2c1c(ncn2)Cl PB32174 [0,1,0,0,0,0|3,0,0]=4 111 B12R2.203 c1[nH]c-2nnc(c2c(n1)Cl)Br PB27901 [0,1,0,0,0,0|1,0,2]=4 112 B12R2.203 c1c(c2c(ncnc2o1)N)Br PB30307 [0,1,0,0,0,0|3,0,0]=4 113 B12R2.203 c1c(c2c(ncnc2s1)N)Br PB11453 [0,1,0,0,0,0|3,0,0]=4 114 B12R2.203 c1c(c2c(s1)ncnc2Cl)Br PB34550 [0,1,0,0,0,0|3,0,0]=4 115 B12R2.246 C1=NN=C2=C(N=C(N=C21)O)O AB07081 [0,1,0,0,0,0|2,0,1]=4 116 B12R2.246 C1=NN=C2=NC(=NC(=C21)Cl)Cl PB17672 [0,1,0,0,0,0|1,0,2]=4 117 B12R2.246 C1=NN=C2=NC(=NC(=C21)Cl)N AB43140 [0,1,0,0,0,0|1,0,2]=4 118 B12R2.246 C1=NN=C2=NC(=NC(=C21)O)O AB02032 [0,1,0,0,0,0|0,0,2]=3 119 B12R2.246 C1C=c2c(=N1)nc(nc2Cl)Cl PB30992 [0,1,0,0,0,0|2,0,1]=4 120 B12R2.246 C1C=c2c(=N1)nc(nc2Cl)N PB32491 [0,1,0,0,0,0|2,0,1]=4 121 B12R2.246 C1C=c2c(=N1)nc(nc2O)O AB13136 [0,1,0,0,0,0|1,0,1]=3 122 B12R2.246 C1Cc2c(nc(nc2O)O)C1 AB12723 [0,1,0,0,0,0|2,0,1]=4 123 B12R2.246 Cc1[nH]c-2nccc2c(n1)O AB20779 [0,1,0,0,0,0|1,0,2]=4 124 B12R2.246 Cc1[nH]c-2nncc2c(n1)Cl AB59145 [0,1,0,0,0,0|1,0,2]=4 125 B12R2.246 Cc1nc(c2c(n1)N=NC2)N MB02188 [0,1,0,0,0,0|1,0,2]=4 126 B12R2.246 Cc1nc(c2ccsc2n1)O AB63792 [0,1,0,0,0,0|2,0,0]=3 127 B12R2.246 Cc1nc2c(ccs2)c(n1)Cl AB13002 [0,1,0,0,0,0|3,0,0]=4 128 B12R2.246 c1c(c2cscc2nc1O)O AB56180 [0,1,0,0,0,0|3,0,0]=4 129 B12R2.246 c1c2c(cs1)nc(nc2Cl)Cl PB10808 [0,1,0,0,0,0|3,0,0]=4 130 B12R2.246 c1c2c(cs1)nc(nc2O)O AB55912 [0,1,0,0,0,0|2,0,0]=3 131 B12R2.246 c1c2c(nc(nn2cn1)Cl)Cl AB64082 [0,1,0,0,0,0|3,0,0]=4 132 B12R2.246 c1coc2c1c(nc(n2)N)N AB66268 [0,1,0,0,0,0|3,0,0]=4 133 B12R2.246 c1csc2c1c(cc(n2)O)O AB56046 [0,1,0,0,0,0|3,0,0]=4 134 B12R2.246 c1csc2c1c(nc(n2)Cl)Cl PB20371 [0,1,0,0,0,0|3,0,0]=4 135 B12R2.246 c1csc2c1c(nc(n2)S)N AB42097 [0,1,0,0,0,0|3,0,0]=4 136 B12R2.315 C1C=C2C(=CN=N2)C(=N1)CO MB14858 [0,1,0,0,0,0|1,0,2]=4 137 B12R2.315 CNc1c2c(ncn1)N=NC2 MB69431 [0,1,0,0,0,0|1,0,2]=4 138 B12R2.315 COC1=C2C=CN=C2N=CC1 PB23577 [0,1,0,0,0,0|2,0,1]=4 139 B12R2.315 COc1c2c(ccn1)NCC2 AB73029 [0,1,0,0,0,0|2,0,1]=4 140 B12R2.315 COc1c2c(ncn1)N=CC2 PB12093 [0,1,0,0,0,0|1,0,2]=4 141 B12R2.315 c1cnc2=NCC=c2c1CO PB18980 [0,1,0,0,0,0|2,0,1]=4 142 B12R2.315 c1nc(c2=CCN=c2n1)C#N PB27071 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.2 CCc1c(c(ncn1)O)Cl AB63595 [0,0,1,0,0,0|3,0,0]=4 144 B10R1.4 c1cc(c(nc1)Br)\C=N\O AB70377 [0,0,1,0,0,0|3,0,0]=4 145 B10R1.4 c1cc(c(nc1)N)\C=N\O AB25853 [0,0,1,0,0,0|3,0,0]=4 146 B10R1.245 COc1c(ncnc1Cl)N PB22102 [0,0,1,0,0,0|3,0,0]=4 147 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [0,0,1,0,0,0|3,0,0]=4 148 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [0,0,1,0,0,0|3,0,0]=4 149 B10R1.245 Cc1c(c(ncn1)N)C#N AB08486 [0,0,1,0,0,0|1,0,2]=4 150 B10R1.245 Cc1c(c(ncn1)O)C#N AB54917 [0,0,1,0,0,0|1,0,2]=4 151 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [0,0,1,0,0,0|3,0,0]=4 152 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [0,0,1,0,0,0|3,0,0]=4 153 B10R1.245 c1cc(c(c(c1)O)C=O)N MB27161 [0,0,1,0,0,0|3,0,0]=4 154 B10R1.245 c1cnc(c(c1Br)C=O)N AB83695 [0,0,1,0,0,0|3,0,0]=4 155 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [0,0,1,0,0,0|3,0,0]=4 156 B10R1.245 c1cnc(c(c1Cl)C=O)N PB22850 [0,0,1,0,0,0|3,0,0]=4 157 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [0,0,1,0,0,0|3,0,0]=4 158 B10R1.245 c1cnc(c(c1N)C=O)Br AB83694 [0,0,1,0,0,0|3,0,0]=4 159 B10R1.245 c1cnc(c(c1N)C=O)Cl AB52768 [0,0,1,0,0,0|3,0,0]=4 160 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [0,0,1,0,0,0|2,0,0]=3 161 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [0,0,1,0,0,0|3,0,0]=4 162 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [0,0,1,0,0,0|3,0,0]=4 163 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [0,0,1,0,0,0|2,0,0]=3 164 B10R1.245 c1nc(c(c(n1)Cl)C#N)N PB14495 [0,0,1,0,0,0|1,0,2]=4 165 B10R1.245 c1nc(c(c(n1)Cl)C=O)Cl PB34029 [0,0,1,0,0,0|3,0,0]=4 166 B10R1.245 c1nc(c(c(n1)Cl)C=O)N AB16151 [0,0,1,0,0,0|2,0,0]=3 167 B10R1.245 c1nc(c(c(n1)N)C#N)N AB42164 [0,0,1,0,0,0|1,0,2]=4 168 B10R1.245 c1nc(c(c(n1)N)C=O)N AB54931 [0,0,1,0,0,0|2,0,0]=3 169 B12R2.1081 c1c2c(c(ncn2)Cl)ncn1 AB63437 [0,0,0,0,0,1|2,0,0]=3 170 B12R2.1081 c1c2c(ncnc2ncn1)N AB11621 [0,0,0,0,0,1|1,0,1]=3 171 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [0,0,0,0,0,1|3,0,0]=4 172 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [0,0,0,0,0,1|2,0,1]=4 173 B12R2.1081 c1cc2c(nc1)ncnc2Cl PB26181 [0,0,0,0,0,1|2,0,1]=4 174 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,0,0,0,0,1|3,0,0]=4 175 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [0,0,0,0,0,1|3,0,0]=4 176 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,0,0,0,0,1|3,0,0]=4 177 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,0,0,0,0,1|3,0,0]=4 178 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,0,0,0,0,1|3,0,0]=4 179 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,0,0,0,0,1|3,0,0]=4 180 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,0,0,0,0,1|3,0,0]=4 181 B12R2.1081 c1cnc2c(c1O)CCNC2 AB73921 [0,0,0,0,0,1|2,0,1]=4 182 B12R2.1081 c1cnc2ccncc2c1N AB09610 [0,0,0,0,0,1|3,0,0]=4 183 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [0,0,0,0,0,1|2,0,1]=4 184 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [0,0,0,0,0,1|3,0,0]=4 185 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [0,0,0,0,0,1|2,0,0]=3 186 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,0,0,0,0,1|3,0,0]=4 187 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,0,0,0,0,1|1,0,2]=4 188 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [0,0,0,0,0,1|3,0,0]=4 189 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [0,0,0,0,0,1|2,0,0]=3 190 B12R2.1081 c1nc2c(c(n1)Cl)CCCN2 AB73928 [0,0,0,0,0,1|2,0,1]=4 191 B12R2.1081 c1nc2c(c(n1)Cl)CCNC2 AB64232 [0,0,0,0,0,1|2,0,1]=4 192 B9R1.2 CCc1cc(ncn1)O AB54953 [1,0,1,0,0,0|1,0,1]=4 193 B9R1.2 CNc1cc(ccn1)O MB29569 [1,0,1,0,0,0|1,0,1]=4 194 B9R1.2 CNc1cc(ncn1)Br MB14299 [1,0,1,0,0,0|1,0,1]=4 195 B9R1.2 c1c(ncnc1O)C=O AB58874 [1,0,1,0,0,0|2,0,0]=4 196 B9R1.2 c1c(ncnc1O)CCl AB59093 [1,0,1,0,0,0|2,0,0]=4 197 B9R1.3 Cc1c(c(ncn1)N)Cl AB53379 [1,0,1,0,0,0|2,0,0]=4 198 B9R1.3 Cc1c(c(ncn1)O)Br AB09553 [1,0,1,0,0,0|2,0,0]=4 199 B9R1.3 Cc1c(c(ncn1)O)Cl AB05118 [1,0,1,0,0,0|2,0,0]=4 200 B9R1.3 Cc1c(ncnc1N)C AB54984 [1,0,1,0,0,0|1,0,1]=4 201 B9R1.3 Cc1c(ncnc1O)C AB05196 [1,0,1,0,0,0|1,0,1]=4 202 B9R1.3 c1cnc(c(c1N)Cl)O AB51578 [1,0,1,0,0,0|2,0,0]=4 203 B9R1.3 c1cnc(c(c1O)Cl)N AB74554 [1,0,1,0,0,0|2,0,0]=4 204 B9R1.3 c1nc(c(c(n1)Cl)Cl)O AB54896 [1,0,1,0,0,0|2,0,0]=4 205 B9R1.3 c1nc(c(c(n1)Cl)N)N AB01351 [1,0,1,0,0,0|1,0,1]=4 206 B9R1.3 c1nc(c(c(n1)O)F)O PB25105 [1,0,1,0,0,0|2,0,0]=4 207 B9R1.3 c1nc(c(c(n1)O)I)N AB53178 [1,0,1,0,0,0|1,0,0]=3 208 B9R1.3 c1nc(c(c(n1)O)N)N MB00183 [1,0,1,0,0,0|0,0,1]=3 209 B9R1.15 c1c(c(ncn1)Cl)C=O AB65173 [1,0,1,0,0,0|2,0,0]=4 210 B9R1.15 c1c(c(ncn1)N)C#N AB02254 [1,0,1,0,0,0|0,0,2]=4 211 B9R1.15 c1c(c(ncn1)N)C=O AB55705 [1,0,1,0,0,0|1,0,0]=3 212 B9R1.15 c1c(c(ncn1)N)CCl AB85293 [1,0,1,0,0,0|1,0,1]=4 213 B9R1.15 c1c(c(ncn1)O)C#N AB03209 [1,0,1,0,0,0|0,0,2]=4 214 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,0,1,0,0,0|2,0,0]=4 215 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,1,0,0,0|2,0,0]=4 216 B9R1.15 c1cncc(c1N)C=O AB12471 [1,0,1,0,0,0|2,0,0]=4 217 B9R1.15 c1cncc(c1N)C=O PB27639 [1,0,1,0,0,0|2,0,0]=4 218 B9R1.15 c1cncc(c1O)C=O AB59870 [1,0,1,0,0,0|2,0,0]=4 219 B9R1.15 c1cncc(c1O)CN MB35531 [1,0,1,0,0,0|1,0,1]=4 220 B9R1.8 c1c(cncn1)CCN AB45406 [1,0,1,0,0,0|1,0,1]=4 221 B9R1.8 c1c(cncn1)CNN PB19654 [1,0,1,0,0,0|0,0,2]=4 222 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.605 c1nc(c(c(n1)Cl)\C=N\O)Cl AB55489 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,1,1,0,0,0|2,0,0]=4 225 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,1,1,0,0,0|2,0,0]=4 226 B11R1.156 c1nc(c(c(n1)N)C(=O)N)N AB42170 [0,1,1,0,0,0|1,0,1]=4 227 B11R2.1 C1=NC=NC2C1=C(N=N2)Br AB70431 [1,1,0,0,0,0|0,0,2]=4 228 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,1,0,0,0,0|2,0,0]=4 229 B11R2.1 Cn1ccc2c1nccc2 AB51139 [1,1,0,0,0,0|2,0,0]=4 230 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [1,1,0,0,0,0|2,0,0]=4 231 B11R2.10 c1c2c(ncn1)NC(=O)C2 PB13160 [1,1,0,0,0,0|1,0,1]=4 232 B11R2.36 C1=C2C=NC(=O)N=C2N=C1 MB05396 [1,1,0,0,0,0|1,0,1]=4 233 B11R2.36 C1C=C2C=NN=C2N=C1Br AB66635 [1,1,0,0,0,0|1,0,1]=4 234 B11R2.36 C1C=C2C=NN=C2N=C1Cl PB31400 [1,1,0,0,0,0|1,0,1]=4 235 B11R2.36 c1c2=CCN=c2nc(n1)N PB18009 [1,1,0,0,0,0|1,0,1]=4 236 B11R2.36 c1c2c(nc(n1)Cl)N=NC2 PB20477 [1,1,0,0,0,0|0,0,2]=4 237 B11R2.36 c1csc2c1cnc(n2)Cl PB11077 [1,1,0,0,0,0|2,0,0]=4 238 B13R2.162 c1c2c(c(ncn2)Cl)nc(n1)Cl AB51062 [0,1,0,0,0,1|2,0,0]=4 239 B13R2.162 c1c2c(cnc1Cl)ncnc2Cl AB62944 [0,1,0,0,0,1|2,0,0]=4 240 B13R2.162 c1c2c(cnc1F)ncnc2Cl AB49479 [0,1,0,0,0,1|2,0,0]=4 241 B13R2.328 c1cncc2c1c(nc(n2)Cl)Cl PB16298 [0,1,0,0,0,1|2,0,0]=4 242 B13R2.342 c1cnc(c2c1c(ncn2)Cl)Cl AB73049 [0,1,0,0,0,1|2,0,0]=4 243 B13R2.342 c1cnc(c2c1c(ncn2)Cl)F AB73046 [0,1,0,0,0,1|2,0,0]=4 244 B13R2.5179 c1c2c(cnc1Cl)c(ncn2)Cl AB73045 [0,1,0,0,0,1|2,0,0]=4 245 B13R2.5179 c1c2c(cnc1F)c(ncn2)Cl AB64188 [0,1,0,0,0,1|2,0,0]=4 246 B13R2.5179 c1c2c(ncnc2Cl)nc(n1)Cl AB73050 [0,1,0,0,0,1|1,0,1]=4 247 B13R2.5179 c1cc(nc2c1c(ncn2)O)Cl AB51262 [0,1,0,0,0,1|1,0,1]=4 248 B13R2.573 Cn1c2cccc(c2cn1)CO PB28215 [0,2,0,0,0,0|2,0,0]=4 249 B13R2.3742 Cn1c2c(cn1)c(nc(n2)Cl)Cl PB23666 [0,2,0,0,0,0|1,0,0]=3 250 B13R2.3742 Cn1ccc2c1nc(nc2Cl)Cl AB68384 [0,2,0,0,0,0|2,0,0]=4 251 B13R2.4825 Cn1c(cc2c1ncnc2Cl)Br PB24293 [0,2,0,0,0,0|2,0,0]=4 252 B13R2.4825 Cn1c(cc2c1ncnc2Cl)I PB31187 [0,2,0,0,0,0|2,0,0]=4 253 B13R2.4857 Cn1c2c(c(ncn2)N)c(n1)I PB27339 [0,2,0,0,0,0|1,0,0]=3 254 B13R2.4856 CC1C(=c2c(=N1)ncnc2O)C AB71998 [0,2,0,0,0,0|1,0,1]=4 255 B13R2.5397 Cc1cc2c(nc(nc2s1)C)O AB63947 [0,2,0,0,0,0|2,0,0]=4 256 B13R2.11642 Cc1csc2c1c(nc(n2)O)O AB56034 [0,2,0,0,0,0|2,0,0]=4 257 B13R2.11642 c12c([nH]nc1Br)nc(nc2Cl)Cl AB59141 [0,2,0,0,0,0|1,0,0]=3 258 B13R2.623 COc1c2c(nc(n1)N)N=NC2 AB50503 [0,2,0,0,0,0|0,0,2]=4 259 B13R2.5569 B(C1=C2C=NN=C2N=CC1)(O)O AB73707 [0,2,0,0,0,0|1,0,1]=4 260 B13R2.5569 C1=NN=C2=C1C(=NC=N2)C(=O)O PB31777 [0,2,0,0,0,0|0,0,2]=4 261 B13R2.5569 c1nc(c2=CCN=c2n1)C(=O)O PB19365 [0,2,0,0,0,0|1,0,1]=4