0 B10R2.7 C1=CC2C(=NC=N2)C=C1 AB56425 [0,0,0,0,0,0|1,0,1]=2 1 B10R2.7 C1=CC2C=NN=C2C=C1 PB23156 [0,0,0,0,0,0|2,0,1]=3 2 B10R2.7 C1=NC=NC2C1=NC=N2 AB03029 [0,0,0,0,0,0|3,0,1]=4 3 B10R2.7 C1C=C2C(=CN=N2)C=N1 PB20648 [0,0,0,0,0,0|3,0,1]=4 4 B10R2.7 C1C=C2C(=NC=N2)C=N1 PB20239 [0,0,0,0,0,0|2,0,1]=3 5 B10R2.7 C1C=C2C=NN=C2C=N1 PB27509 [0,0,0,0,0,0|3,0,1]=4 6 B10R2.7 C1C=CN=C2C1=NC=C2 PB18523 [0,0,0,0,0,0|2,0,1]=3 7 B10R2.7 C1C=CN=C2C1=NN=C2 PB32568 [0,0,0,0,0,0|3,0,1]=4 8 B10R2.7 c1c2=CCN=c2cnn1 MB09338 [0,0,0,0,0,0|3,0,1]=4 9 B10R2.7 c1c2=CCN=c2ncn1 PB12495 [0,0,0,0,0,0|3,0,1]=4 10 B10R2.7 c1c2=NCC=c2ncn1 PB22262 [0,0,0,0,0,0|3,0,1]=4 11 B10R2.7 c1c2c(ncn1)N=NC2 MB03781 [0,0,0,0,0,0|4,0,0]=4 12 B10R2.7 c1cc2c(cco2)nc1 PB26741 [0,0,0,0,0,0|2,1,0]=3 13 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [0,0,0,0,0,0|2,0,0]=2 14 B10R2.7 c1cc2c(nc1)CNC2 PB30869 [0,0,0,0,0,0|4,0,0]=4 15 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [0,0,0,0,0,0|2,0,2]=4 16 B10R2.7 c1cc2c(nc1)ncs2 MB10672 [0,0,0,0,0,0|1,0,0]=1 17 B10R2.7 c1cc2cnccn2c1 CB10529 [0,0,0,0,0,0|4,0,0]=4 18 B10R2.7 c1cc2nccn2nc1 AB42764 [0,0,0,0,0,0|3,0,0]=3 19 B10R2.7 c1ccc2c(c1)CNC2 MB01342 [0,0,0,0,0,0|3,0,0]=3 20 B10R2.7 c1ccc2c(c1)CNN2 AB31648 [0,0,0,0,0,0|2,0,1]=3 21 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [0,0,0,0,0,0|2,0,0]=2 22 B10R2.7 c1ccn2c(c1)cnn2 MB00828 [0,0,0,0,0,0|3,0,0]=3 23 B10R2.7 c1ccn2c(c1)ncn2 AB15720 [0,0,0,0,0,0|2,0,0]=2 24 B10R2.7 c1ccn2cccc2c1 AB01491 [0,0,0,0,0,0|3,0,0]=3 25 B10R2.7 c1ccn2cncc2c1 AB14043 [0,0,0,0,0,0|4,0,0]=4 26 B10R2.7 c1cn2c(cn1)ncn2 AB53018 [0,0,0,0,0,0|3,0,0]=3 27 B10R2.7 c1cn2ccnc2cn1 AB23577 [0,0,0,0,0,0|3,0,0]=3 28 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [0,0,0,0,0,0|3,0,1]=4 29 B10R2.7 c1cnc2ccnn2c1 PB20510 [0,0,0,0,0,0|3,0,0]=3 30 B10R2.7 c1cncc2=CCN=c21 PB12213 [0,0,0,0,0,0|2,0,1]=3 31 B10R2.7 c1cncc2=NCC=c21 PB21773 [0,0,0,0,0,0|2,0,1]=3 32 B10R2.7 c1cncc2c1CNC2 AB30511 [0,0,0,0,0,0|4,0,0]=4 33 B10R2.7 c1cncc2c1CNC2 PB24193 [0,0,0,0,0,0|4,0,0]=4 34 B10R2.7 c1cncc2c1ccs2 MB02036 [0,0,0,0,0,0|2,0,0]=2 35 B10R2.7 c1cncn2c1ncc2 AB55782 [0,0,0,0,0,0|3,0,0]=3 36 B10R2.7 c1cnnc2=NCC=c21 PB17814 [0,0,0,0,0,0|3,0,1]=4 37 B10R2.7 c1nc2c(s1)CCNC2 AB85226 [0,0,0,0,0,0|1,0,3]=4 38 B10R2.7 c1nc2c(s1)CNCC2 AB62822 [0,0,0,0,0,0|1,0,3]=4 39 B11R2.1 B1(c2ccccc2CO1)O AB08148 [0,1,0,0,0,0|3,0,0]=4 40 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [0,1,0,0,0,0|1,0,1]=3 41 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [0,1,0,0,0,0|1,0,1]=3 42 B11R2.1 C1=CC2C(=NN=C2Br)C=C1 PB12113 [0,1,0,0,0,0|2,0,1]=4 43 B11R2.1 C1=CC2C(=NN=C2Cl)C=C1 AB02730 [0,1,0,0,0,0|2,0,1]=4 44 B11R2.1 C1=CC2C(=NN=C2I)C=C1 PB34085 [0,1,0,0,0,0|2,0,1]=4 45 B11R2.1 C1C=C2C(=C(C=N2)Br)C=N1 PB16059 [0,1,0,0,0,0|2,0,1]=4 46 B11R2.1 C1C=C2C(=C(C=N2)I)C=N1 PB12508 [0,1,0,0,0,0|2,0,1]=4 47 B11R2.1 C1C=C2C(=CN=C2C=N1)Br AB28409 [0,1,0,0,0,0|2,0,1]=4 48 B11R2.1 C1C=C2C(=CN=C2C=N1)Br PB20950 [0,1,0,0,0,0|2,0,1]=4 49 B11R2.1 C1C=CN=C2C1=NC=C2Br PB14830 [0,1,0,0,0,0|2,0,1]=4 50 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [0,1,0,0,0,0|2,0,1]=4 51 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,1,0,0,0,0|2,0,1]=4 52 B11R2.1 CN1CCc2c1cccc2 MB02030 [0,1,0,0,0,0|1,0,2]=4 53 B11R2.1 Cn1c2ccccc2cn1 PB18505 [0,1,0,0,0,0|2,0,1]=4 54 B11R2.1 Cn1ccc2c1nccc2 AB51139 [0,1,0,0,0,0|2,0,1]=4 55 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [0,1,0,0,0,0|2,0,0]=3 56 B11R2.1 c1cc2c(cnn2nc1)Br PB15135 [0,1,0,0,0,0|3,0,0]=4 57 B11R2.1 c1cc2ncc(n2nc1)Br PB23676 [0,1,0,0,0,0|3,0,0]=4 58 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,1,0,0,0,0|1,1,1]=4 59 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [0,1,0,0,0,0|2,0,0]=3 60 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [0,1,0,0,0,0|1,1,1]=4 61 B11R2.1 c1ccc2c(c1)C(N=N2)N MB69235 [0,1,0,0,0,0|2,0,0]=3 62 B11R2.1 c1ccc2c(c1)CCC2N AB00328 [0,1,0,0,0,0|2,0,1]=4 63 B11R2.1 c1ccc2c(c1)CCN2N MB03088 [0,1,0,0,0,0|1,0,2]=4 64 B11R2.1 c1ccc2c(c1)CC[C@@H]2N AB04896 [0,1,0,0,0,0|2,0,1]=4 65 B11R2.1 c1ccc2c(c1)CC[C@H]2N AB04893 [0,1,0,0,0,0|2,0,1]=4 66 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,1,0,0,0,0|3,0,0]=4 67 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [0,1,0,0,0,0|1,1,0]=3 68 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [0,1,0,0,0,0|2,1,0]=4 69 B11R2.1 c1ccc2c(c1)cnn2N MB08196 [0,1,0,0,0,0|2,0,1]=4 70 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [0,1,0,0,0,0|2,0,0]=3 71 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [0,1,0,0,0,0|2,0,0]=3 72 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [0,1,0,0,0,0|2,0,0]=3 73 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [0,1,0,0,0,0|2,0,0]=3 74 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [0,1,0,0,0,0|2,0,0]=3 75 B11R2.1 c1ccn2c(c1)nnc2Cl PB13083 [0,1,0,0,0,0|3,0,0]=4 76 B11R2.1 c1ccn2c(c1)nnc2N AB13807 [0,1,0,0,0,0|3,0,0]=4 77 B11R2.1 c1ccn2c(c1)nnc2S MB02937 [0,1,0,0,0,0|3,0,0]=4 78 B11R2.1 c1cn2c(cn1)ncc2Br PB32412 [0,1,0,0,0,0|3,0,0]=4 79 B11R2.1 c1cnc2c(cnn2c1)Br PB22252 [0,1,0,0,0,0|3,0,0]=4 80 B11R2.1 c1cnc2c(cnn2c1)N PB27500 [0,1,0,0,0,0|3,0,0]=4 81 B11R2.1 c1cnc2c(cnn2c1)N PB37704 [0,1,0,0,0,0|3,0,0]=4 82 B11R2.1 c1cnc2ncc(n2c1)Br AB23077 [0,1,0,0,0,0|3,0,0]=4 83 B11R2.10 C1=CC2C(=NC(=N2)I)C=C1 AB18571 [0,1,0,0,0,0|1,0,1]=3 84 B11R2.10 C1=CC2C=C(N=C2C=C1)I MB08792 [0,1,0,0,0,0|1,0,1]=3 85 B11R2.10 C1C=C2C(=NC(=N2)Cl)C=N1 MB19808 [0,1,0,0,0,0|2,0,1]=4 86 B11R2.10 C1C=C2C=C(N=C2C=N1)Br AB28161 [0,1,0,0,0,0|2,0,1]=4 87 B11R2.10 C1C=C2C=C(N=C2C=N1)Cl MB09720 [0,1,0,0,0,0|2,0,1]=4 88 B11R2.10 C1C=CN=C2C1=NC(=N2)Cl AB18568 [0,1,0,0,0,0|2,0,1]=4 89 B11R2.10 C1C=CN=C2C1=NC(=N2)N AB16226 [0,1,0,0,0,0|2,0,1]=4 90 B11R2.10 C1C=CN=C2C1=NC(=N2)O AB56381 [0,1,0,0,0,0|2,0,1]=4 91 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [0,1,0,0,0,0|2,0,1]=4 92 B11R2.10 CC1=NC2=C(=C1)C=CN=C2 PB23513 [0,1,0,0,0,0|2,0,1]=4 93 B11R2.10 CC1=NC2=C(=C1)C=NC=C2 PB34737 [0,1,0,0,0,0|2,0,1]=4 94 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [0,1,0,0,0,0|1,0,1]=3 95 B11R2.10 CC1=NC2=C(=N1)C=CC=N2 AB26094 [0,1,0,0,0,0|2,0,1]=4 96 B11R2.10 Cc1cc2ncccn2n1 AB44285 [0,1,0,0,0,0|3,0,0]=4 97 B11R2.10 Cc1cn2ccccc2n1 MB02386 [0,1,0,0,0,0|2,0,0]=3 98 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [0,1,0,0,0,0|1,1,0]=3 99 B11R2.10 Cn1cc2ccccc2n1 PB15684 [0,1,0,0,0,0|2,0,0]=3 100 B11R2.10 c1cc2=NC(=O)N=c2nc1 AB06227 [0,1,0,0,0,0|2,0,0]=3 101 B11R2.10 c1cc2c(nc1)CC(=O)N2 PB29192 [0,1,0,0,0,0|2,0,1]=4 102 B11R2.10 c1cc2c(nc1)NC(=O)C2 PB29419 [0,1,0,0,0,0|2,0,1]=4 103 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [0,1,0,0,0,0|1,1,0]=3 104 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [0,1,0,0,0,0|1,1,0]=3 105 B11R2.10 c1cc2c(nc1)nc(s2)S AB04817 [0,1,0,0,0,0|1,0,0]=2 106 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [0,1,0,0,0,0|1,1,0]=3 107 B11R2.10 c1cc2c(nc1)sc(n2)Br MB05754 [0,1,0,0,0,0|1,0,0]=2 108 B11R2.10 c1cc2c(nc1)sc(n2)Cl AB69999 [0,1,0,0,0,0|1,0,0]=2 109 B11R2.10 c1cc2c(nc1)sc(n2)N AB04928 [0,1,0,0,0,0|1,0,0]=2 110 B11R2.10 c1cc2c(nc1)sc(n2)S AB04404 [0,1,0,0,0,0|1,0,0]=2 111 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [0,1,0,0,0,0|1,0,1]=3 112 B11R2.10 c1ccc2c(c1)CC(C2)Br MB05045 [0,1,0,0,0,0|2,0,1]=4 113 B11R2.10 c1ccc2c(c1)CC(C2)N AB03106 [0,1,0,0,0,0|2,0,1]=4 114 B11R2.10 c1ccc2c(c1)CN(C2)N MB09229 [0,1,0,0,0,0|3,0,0]=4 115 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [0,1,0,0,0,0|1,1,0]=3 116 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [0,1,0,0,0,0|0,1,0]=2 117 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [0,1,0,0,0,0|0,0,0]=1 118 B11R2.10 c1ccn2c(c1)cc(n2)Cl AB28897 [0,1,0,0,0,0|2,0,0]=3 119 B11R2.10 c1ccn2c(c1)nc(n2)Cl AB69404 [0,1,0,0,0,0|2,0,0]=3 120 B11R2.10 c1ccn2c(c1)nc(n2)N AB64641 [0,1,0,0,0,0|2,0,0]=3 121 B11R2.10 c1cn2cc(nc2cn1)Br AB61156 [0,1,0,0,0,0|3,0,0]=4 122 B11R2.10 c1cn2cc(nc2cn1)N AB76352 [0,1,0,0,0,0|3,0,0]=4 123 B11R2.10 c1cncc2=NC(=O)N=c21 AB11607 [0,1,0,0,0,0|2,0,0]=3 124 B11R2.10 c1cncc2c1CC(=O)N2 PB19637 [0,1,0,0,0,0|2,0,1]=4 125 B11R2.10 c1cncc2c1NC(=O)C2 PB17659 [0,1,0,0,0,0|2,0,1]=4 126 B11R2.10 c1cncc2c1nc(o2)S AB65956 [0,1,0,0,0,0|1,1,0]=3 127 B11R2.10 c1cncc2c1nc(s2)N PB34487 [0,1,0,0,0,0|1,0,0]=2 128 B11R2.10 c1cncc2c1nc(s2)S AB65962 [0,1,0,0,0,0|1,0,0]=2 129 B11R2.10 c1cncc2c1oc(n2)S AB65952 [0,1,0,0,0,0|1,1,0]=3 130 B11R2.10 c1cncc2c1sc(n2)N MB05751 [0,1,0,0,0,0|1,0,0]=2 131 B11R2.10 c1cncc2c1sc(n2)S AB65960 [0,1,0,0,0,0|1,0,0]=2 132 B11R2.36 C1=C2C(=NC=N2)N=CC1Br PB22201 [0,1,0,0,0,0|2,0,1]=4 133 B11R2.36 C1=C2C(=NC=N2)N=CC1N AB49262 [0,1,0,0,0,0|2,0,1]=4 134 B11R2.36 C1=C2C=NC(=O)N=C2N=C1 MB05396 [0,1,0,0,0,0|3,0,0]=4 135 B11R2.36 C1=NC(=CC2=NC=NC21)Cl AB65205 [0,1,0,0,0,0|2,0,1]=4 136 B11R2.36 C1C=C(C=C2C1=NC=C2)Br AB00482 [0,1,0,0,0,0|1,0,1]=3 137 B11R2.36 C1C=C(C=C2C1=NC=C2)Cl AB00485 [0,1,0,0,0,0|1,0,1]=3 138 B11R2.36 C1C=C(C=C2C1=NC=C2)F AB00483 [0,1,0,0,0,0|1,0,1]=3 139 B11R2.36 C1C=C(C=C2C1=NC=C2)I AB04939 [0,1,0,0,0,0|1,0,1]=3 140 B11R2.36 C1C=C(C=C2C1=NC=C2)O AB00494 [0,1,0,0,0,0|1,0,1]=3 141 B11R2.36 C1C=C(C=C2C1=NC=N2)Cl MB04649 [0,1,0,0,0,0|1,0,1]=3 142 B11R2.36 C1C=C(C=C2C1=NC=N2)F AB07100 [0,1,0,0,0,0|1,0,1]=3 143 B11R2.36 C1C=C(C=C2C1=NC=N2)I AB25990 [0,1,0,0,0,0|1,0,1]=3 144 B11R2.36 C1C=C(C=C2C1=NN=C2)Br PB14191 [0,1,0,0,0,0|2,0,1]=4 145 B11R2.36 C1C=C(C=C2C1=NN=C2)Cl PB25912 [0,1,0,0,0,0|2,0,1]=4 146 B11R2.36 C1C=C(C=C2C1=NN=C2)F PB29333 [0,1,0,0,0,0|2,0,1]=4 147 B11R2.36 C1C=C(C=C2C1=NN=C2)I PB10471 [0,1,0,0,0,0|2,0,1]=4 148 B11R2.36 C1C=C(C=C2C1=NN=C2)N AB01685 [0,1,0,0,0,0|2,0,1]=4 149 B11R2.36 C1C=C(C=C2C1=NN=C2)O PB14272 [0,1,0,0,0,0|2,0,1]=4 150 B11R2.36 C1C=C(C=C2C1=NN=N2)Br AB06216 [0,1,0,0,0,0|2,0,1]=4 151 B11R2.36 C1C=C(C=C2C1=NN=N2)F AB07041 [0,1,0,0,0,0|2,0,1]=4 152 B11R2.36 C1C=C(C=C2C1=NN=N2)I AB26250 [0,1,0,0,0,0|2,0,1]=4 153 B11R2.36 C1C=C2C(=CC=N2)N=C1Br PB22217 [0,1,0,0,0,0|2,0,1]=4 154 B11R2.36 C1C=C2C(=CC=N2)N=C1Cl PB26323 [0,1,0,0,0,0|2,0,1]=4 155 B11R2.36 C1C=C2C(=CC=N2)N=C1N AB52502 [0,1,0,0,0,0|2,0,1]=4 156 B11R2.36 C1C=C2C(=CC=N2)N=C1O AB63944 [0,1,0,0,0,0|2,0,1]=4 157 B11R2.36 C1C=C2C(=NC=N2)N=C1Br PB28254 [0,1,0,0,0,0|2,0,1]=4 158 B11R2.36 C1C=C2C(=NC=N2)N=C1Cl PB10205 [0,1,0,0,0,0|2,0,1]=4 159 B11R2.36 C1C=C2C=CN=C2C=C1Br PB27487 [0,1,0,0,0,0|1,0,1]=3 160 B11R2.36 C1C=C2C=CN=C2C=C1F PB12993 [0,1,0,0,0,0|1,0,1]=3 161 B11R2.36 C1C=C2C=CN=C2C=C1O AB04037 [0,1,0,0,0,0|1,0,1]=3 162 B11R2.36 C1C=C2C=CN=C2N=C1Br PB21932 [0,1,0,0,0,0|2,0,1]=4 163 B11R2.36 C1C=C2C=CN=C2N=C1Cl PB21926 [0,1,0,0,0,0|2,0,1]=4 164 B11R2.36 C1C=C2C=CN=C2N=C1F PB21935 [0,1,0,0,0,0|2,0,1]=4 165 B11R2.36 C1C=C2C=CN=C2N=C1I AB26057 [0,1,0,0,0,0|2,0,1]=4 166 B11R2.36 C1C=C2C=CN=C2N=C1N AB44400 [0,1,0,0,0,0|2,0,1]=4 167 B11R2.36 C1C=C2C=CN=C2N=C1O AB44403 [0,1,0,0,0,0|2,0,1]=4 168 B11R2.36 CC1=CC2C=CN=C2C=C1 PB24528 [0,1,0,0,0,0|1,0,1]=3 169 B11R2.36 CC1=CC2C=NN=C2C=C1 MB01911 [0,1,0,0,0,0|2,0,1]=4 170 B11R2.36 CC1=CN=C2C=CN=C2C1 PB12030 [0,1,0,0,0,0|2,0,1]=4 171 B11R2.36 CC1=NC=C2C=CN=C2C1 PB19033 [0,1,0,0,0,0|2,0,1]=4 172 B11R2.36 Cc1cc2nccn2cn1 AB55008 [0,1,0,0,0,0|3,0,0]=4 173 B11R2.36 Cc1ccc2c(c1)CNC2 AB49687 [0,1,0,0,0,0|3,0,0]=4 174 B11R2.36 Cc1ccc2c(c1)N=CC2 PB25888 [0,1,0,0,0,0|1,0,0]=2 175 B11R2.36 Cc1ccc2c(c1)N=NC2 MB04939 [0,1,0,0,0,0|2,0,0]=3 176 B11R2.36 Cc1ccc2c(c1)NCC2 MB04575 [0,1,0,0,0,0|1,0,2]=4 177 B11R2.36 Cc1ccc2c(c1)cco2 MB00739 [0,1,0,0,0,0|1,1,0]=3 178 B11R2.36 Cc1ccc2c(c1)scn2 AB09070 [0,1,0,0,0,0|0,0,0]=1 179 B11R2.36 Cc1ccc2c(n1)N=CC2 AB26035 [0,1,0,0,0,0|2,0,0]=3 180 B11R2.36 Cc1ccc2c(n1)N=NC2 AB43592 [0,1,0,0,0,0|3,0,0]=4 181 B11R2.36 Cc1ccn2c(n1)ccn2 AB63891 [0,1,0,0,0,0|3,0,0]=4 182 B11R2.36 Cc1ccn2c(n1)ncn2 AB03205 [0,1,0,0,0,0|3,0,0]=4 183 B11R2.36 Cc1ccn2ccnc2n1 AB43723 [0,1,0,0,0,0|3,0,0]=4 184 B11R2.36 Cc1cnc2ccnn2c1 AB62554 [0,1,0,0,0,0|3,0,0]=4 185 B11R2.36 Cc1cnc2nccn2c1 AB55753 [0,1,0,0,0,0|3,0,0]=4 186 B11R2.36 c1c(cn2c(n1)ncn2)Br PB13214 [0,1,0,0,0,0|3,0,0]=4 187 B11R2.36 c1c(cnc2=CCN=c21)Cl PB17747 [0,1,0,0,0,0|2,0,1]=4 188 B11R2.36 c1c(cnc2=CCN=c21)F PB15121 [0,1,0,0,0,0|2,0,1]=4 189 B11R2.36 c1c(cnc2=CCN=c21)I PB10729 [0,1,0,0,0,0|2,0,1]=4 190 B11R2.36 c1c(cnc2=CCN=c21)N PB22282 [0,1,0,0,0,0|2,0,1]=4 191 B11R2.36 c1c(cnc2=NCC=c21)Br PB15851 [0,1,0,0,0,0|2,0,1]=4 192 B11R2.36 c1c(cnc2=NCC=c21)Cl PB24925 [0,1,0,0,0,0|2,0,1]=4 193 B11R2.36 c1c(cnc2=NCC=c21)F PB12380 [0,1,0,0,0,0|2,0,1]=4 194 B11R2.36 c1c(cnc2=NCC=c21)I PB32449 [0,1,0,0,0,0|2,0,1]=4 195 B11R2.36 c1c(cnc2=NCC=c21)N PB34142 [0,1,0,0,0,0|2,0,1]=4 196 B11R2.36 c1c(cnc2=NCC=c21)O PB25038 [0,1,0,0,0,0|2,0,1]=4 197 B11R2.36 c1c(cnc2c1CN=N2)Br PB12341 [0,1,0,0,0,0|3,0,0]=4 198 B11R2.36 c1c(cnc2c1CN=N2)Cl AB64616 [0,1,0,0,0,0|3,0,0]=4 199 B11R2.36 c1c(cnc2c1CN=N2)F PB11659 [0,1,0,0,0,0|3,0,0]=4 200 B11R2.36 c1c(cnc2c1CN=N2)N PB20505 [0,1,0,0,0,0|3,0,0]=4 201 B11R2.36 c1c(cnc2c1nco2)Br AB40951 [0,1,0,0,0,0|1,1,0]=3 202 B11R2.36 c1c(cnc2c1nco2)Cl AB41016 [0,1,0,0,0,0|1,1,0]=3 203 B11R2.36 c1c(cnc2c1ncs2)Br AB40947 [0,1,0,0,0,0|1,0,0]=2 204 B11R2.36 c1c(cnc2c1ncs2)Cl AB41013 [0,1,0,0,0,0|1,0,0]=2 205 B11R2.36 c1c(nc2c(n1)ncs2)Br MB14618 [0,1,0,0,0,0|2,0,0]=3 206 B11R2.36 c1c2=CCN=c2cnc1Br PB17911 [0,1,0,0,0,0|2,0,1]=4 207 B11R2.36 c1c2=CCN=c2cnc1Cl PB34486 [0,1,0,0,0,0|2,0,1]=4 208 B11R2.36 c1c2=CCN=c2cnc1N PB12201 [0,1,0,0,0,0|2,0,1]=4 209 B11R2.36 c1c2=NCC=c2cnc1Br PB10582 [0,1,0,0,0,0|2,0,1]=4 210 B11R2.36 c1c2=NCC=c2cnc1Cl PB22198 [0,1,0,0,0,0|2,0,1]=4 211 B11R2.36 c1c2c(cnc1Br)N=NC2 PB20598 [0,1,0,0,0,0|3,0,0]=4 212 B11R2.36 c1c2c(cnc1Cl)N=NC2 PB15803 [0,1,0,0,0,0|3,0,0]=4 213 B11R2.36 c1c2c(cnc1F)N=NC2 AB73750 [0,1,0,0,0,0|3,0,0]=4 214 B11R2.36 c1c2c(cnc1I)N=NC2 PB20641 [0,1,0,0,0,0|3,0,0]=4 215 B11R2.36 c1cc(cc2c1cco2)Br PB12534 [0,1,0,0,0,0|1,1,0]=3 216 B11R2.36 c1cc(cc2c1cco2)N MB09331 [0,1,0,0,0,0|1,1,0]=3 217 B11R2.36 c1cc(cc2c1cco2)O MB06436 [0,1,0,0,0,0|1,1,0]=3 218 B11R2.36 c1cc(cc2c1ccs2)Br MB09702 [0,1,0,0,0,0|1,0,0]=2 219 B11R2.36 c1cc(cn2c1ccn2)Br PB33438 [0,1,0,0,0,0|2,0,0]=3 220 B11R2.36 c1cc(nc2c1nco2)Br AB77477 [0,1,0,0,0,0|1,1,0]=3 221 B11R2.36 c1cc(nc2c1nco2)Cl AB77475 [0,1,0,0,0,0|1,1,0]=3 222 B11R2.36 c1cc(nc2c1scc2)Cl PB25245 [0,1,0,0,0,0|2,0,0]=3 223 B11R2.36 c1cc(nn2c1ncc2)Br PB16486 [0,1,0,0,0,0|3,0,0]=4 224 B11R2.36 c1cc(nn2c1ncc2)Cl PB24991 [0,1,0,0,0,0|3,0,0]=4 225 B11R2.36 c1cc2c(cc1Br)CCC2 MB07871 [0,1,0,0,0,0|2,0,1]=4 226 B11R2.36 c1cc2c(cc1Br)CNC2 PB29483 [0,1,0,0,0,0|3,0,0]=4 227 B11R2.36 c1cc2c(cc1Br)NCC2 MB04573 [0,1,0,0,0,0|1,0,2]=4 228 B11R2.36 c1cc2c(cc1Br)OCC2 MB06567 [0,1,0,0,0,0|1,1,1]=4 229 B11R2.36 c1cc2c(cc1Br)cno2 AB26012 [0,1,0,0,0,0|2,1,0]=4 230 B11R2.36 c1cc2c(cc1Br)con2 MB19408 [0,1,0,0,0,0|2,0,0]=3 231 B11R2.36 c1cc2c(cc1Br)nco2 AB13423 [0,1,0,0,0,0|0,1,0]=2 232 B11R2.36 c1cc2c(cc1Br)ncs2 AB12828 [0,1,0,0,0,0|0,0,0]=1 233 B11R2.36 c1cc2c(cc1Br)ocn2 AB13141 [0,1,0,0,0,0|0,1,0]=2 234 B11R2.36 c1cc2c(cc1Br)scn2 AB19945 [0,1,0,0,0,0|0,0,0]=1 235 B11R2.36 c1cc2c(cc1Cl)CNC2 MB09657 [0,1,0,0,0,0|3,0,0]=4 236 B11R2.36 c1cc2c(cc1Cl)cns2 MB19427 [0,1,0,0,0,0|2,0,0]=3 237 B11R2.36 c1cc2c(cc1Cl)con2 MB03067 [0,1,0,0,0,0|2,0,0]=3 238 B11R2.36 c1cc2c(cc1Cl)ncs2 AB04988 [0,1,0,0,0,0|0,0,0]=1 239 B11R2.36 c1cc2c(cc1Cl)ocn2 AB49155 [0,1,0,0,0,0|0,1,0]=2 240 B11R2.36 c1cc2c(cc1Cl)scn2 AB09074 [0,1,0,0,0,0|0,0,0]=1 241 B11R2.36 c1cc2c(cc1F)CCO2 AB43939 [0,1,0,0,0,0|1,1,1]=4 242 B11R2.36 c1cc2c(cc1F)CNC2 MB03627 [0,1,0,0,0,0|3,0,0]=4 243 B11R2.36 c1cc2c(cc1F)NCC2 AB01334 [0,1,0,0,0,0|1,0,2]=4 244 B11R2.36 c1cc2c(cc1F)nco2 AB45629 [0,1,0,0,0,0|0,1,0]=2 245 B11R2.36 c1cc2c(cc1F)ncs2 AB26031 [0,1,0,0,0,0|0,0,0]=1 246 B11R2.36 c1cc2c(cc1F)scn2 AB26019 [0,1,0,0,0,0|0,0,0]=1 247 B11R2.36 c1cc2c(cc1I)CNC2 MB11263 [0,1,0,0,0,0|3,0,0]=4 248 B11R2.36 c1cc2c(cc1I)ncs2 AB26029 [0,1,0,0,0,0|0,0,0]=1 249 B11R2.36 c1cc2c(cc1I)scn2 AB26022 [0,1,0,0,0,0|0,0,0]=1 250 B11R2.36 c1cc2c(cc1N)CCC2 CB10015 [0,1,0,0,0,0|2,0,1]=4 251 B11R2.36 c1cc2c(cc1N)CCO2 AB15578 [0,1,0,0,0,0|1,1,1]=4 252 B11R2.36 c1cc2c(cc1N)CNC2 AB50244 [0,1,0,0,0,0|3,0,0]=4 253 B11R2.36 c1cc2c(cc1N)NCC2 MB00375 [0,1,0,0,0,0|1,0,2]=4 254 B11R2.36 c1cc2c(cc1N)cno2 AB70278 [0,1,0,0,0,0|2,1,0]=4 255 B11R2.36 c1cc2c(cc1N)nco2 AB21693 [0,1,0,0,0,0|0,1,0]=2 256 B11R2.36 c1cc2c(cc1N)ncs2 AB19860 [0,1,0,0,0,0|0,0,0]=1 257 B11R2.36 c1cc2c(cc1O)cno2 AB70280 [0,1,0,0,0,0|2,1,0]=4 258 B11R2.36 c1cc2c(cco2)cc1Br MB02701 [0,1,0,0,0,0|1,1,0]=3 259 B11R2.36 c1cc2c(cco2)cc1Cl AB62579 [0,1,0,0,0,0|1,1,0]=3 260 B11R2.36 c1cc2c(cco2)cc1F AB43937 [0,1,0,0,0,0|1,1,0]=3 261 B11R2.36 c1cc2c(cco2)cc1N AB20798 [0,1,0,0,0,0|1,1,0]=3 262 B11R2.36 c1cc2c(cco2)cc1O MB08821 [0,1,0,0,0,0|1,1,0]=3 263 B11R2.36 c1cc2c(ccs2)cc1Br PB18576 [0,1,0,0,0,0|1,0,0]=2 264 B11R2.36 c1cc2cnoc2cc1Br AB25994 [0,1,0,0,0,0|2,1,0]=4 265 B11R2.36 c1cc2cnoc2cc1Cl AB25992 [0,1,0,0,0,0|2,1,0]=4 266 B11R2.36 c1cc2cnoc2cc1N AB26008 [0,1,0,0,0,0|2,1,0]=4 267 B11R2.36 c1cc2cnsc2cc1Br MB19419 [0,1,0,0,0,0|2,0,0]=3 268 B11R2.36 c1cc2cnsc2cc1Cl MB19415 [0,1,0,0,0,0|2,0,0]=3 269 B11R2.36 c1cc2conc2cc1Br MB19398 [0,1,0,0,0,0|2,0,0]=3 270 B11R2.36 c1cc2conc2cc1Cl MB19396 [0,1,0,0,0,0|2,0,0]=3 271 B11R2.36 c1cc2nccn2cc1Br PB20174 [0,1,0,0,0,0|2,0,0]=3 272 B11R2.36 c1cc2nccn2cc1Cl AB21919 [0,1,0,0,0,0|2,0,0]=3 273 B11R2.36 c1cc2nccn2cc1N PB12399 [0,1,0,0,0,0|2,0,0]=3 274 B11R2.36 c1cc2nccn2cc1O AB28902 [0,1,0,0,0,0|2,0,0]=3 275 B11R2.36 c1cc2nccn2nc1N AB61144 [0,1,0,0,0,0|3,0,0]=4 276 B11R2.36 c1cc2ncnn2cc1Br PB12540 [0,1,0,0,0,0|2,0,0]=3 277 B11R2.36 c1cc2nncn2cc1Br PB10571 [0,1,0,0,0,0|3,0,0]=4 278 B11R2.36 c1cc2nnnn2cc1Br AB49762 [0,1,0,0,0,0|3,0,0]=4 279 B11R2.36 c1cn2c(cc1Br)cnn2 MB09890 [0,1,0,0,0,0|3,0,0]=4 280 B11R2.36 c1cn2c(cc1Br)ncn2 PB32891 [0,1,0,0,0,0|2,0,0]=3 281 B11R2.36 c1cn2cc(cnc2n1)Br PB14681 [0,1,0,0,0,0|3,0,0]=4 282 B11R2.36 c1cn2cc(cnc2n1)Cl AB56410 [0,1,0,0,0,0|3,0,0]=4 283 B11R2.36 c1cn2cc(cnc2n1)N AB56414 [0,1,0,0,0,0|3,0,0]=4 284 B11R2.36 c1cn2cc(ncc2n1)Br PB23663 [0,1,0,0,0,0|3,0,0]=4 285 B11R2.36 c1cn2cc(ncc2n1)Cl AB54752 [0,1,0,0,0,0|3,0,0]=4 286 B11R2.36 c1cn2ccnc2cc1Br PB30948 [0,1,0,0,0,0|2,0,0]=3 287 B11R2.36 c1cn2ccnc2cc1Cl PB34290 [0,1,0,0,0,0|2,0,0]=3 288 B11R2.36 c1cn2ccnc2cc1N PB20545 [0,1,0,0,0,0|2,0,0]=3 289 B11R2.36 c1cn2ccnc2nc1Cl AB61250 [0,1,0,0,0,0|3,0,0]=4 290 B11R2.36 c1cn2cnnc2cc1Br PB16252 [0,1,0,0,0,0|3,0,0]=4 291 B11R2.36 c1cnn2c1[nH]c(=O)cc2 PB28532 [0,1,0,0,0,0|3,0,0]=4 292 B11R2.36 c1cnn2c1cc(cc2)Br PB11898 [0,1,0,0,0,0|2,0,0]=3 293 B11R2.36 c1cnn2c1cc(cc2)O AB44250 [0,1,0,0,0,0|2,0,0]=3 294 B11R2.36 c1cnn2c1nc(cc2)Cl PB23376 [0,1,0,0,0,0|3,0,0]=4 295 B11R2.36 c1cnn2c1nc(cc2)I PB28294 [0,1,0,0,0,0|3,0,0]=4 296 B11R2.36 c1cnn2c1nc(cc2)O AB16973 [0,1,0,0,0,0|3,0,0]=4 297 B11R2.36 c1cnn2c1ncc(c2)Br PB23680 [0,1,0,0,0,0|3,0,0]=4 298 B11R2.36 c1coc2c1cc(cn2)N PB28491 [0,1,0,0,0,0|2,1,0]=4 299 B11R2.36 c1csc2c1cc(cn2)N PB15184 [0,1,0,0,0,0|2,0,0]=3 300 B11R2.36 c1csc2c1cc(nc2)Cl PB13799 [0,1,0,0,0,0|2,0,0]=3 301 B11R2.36 c1csc2c1cnc(n2)Cl PB11077 [0,1,0,0,0,0|3,0,0]=4 302 B11R2.36 c1csc2c1nc(nc2)Cl PB17979 [0,1,0,0,0,0|3,0,0]=4 303 B11R2.106 C1=C(C2C(=NC=N2)C=N1)Br AB74555 [0,1,0,0,0,0|2,0,1]=4 304 B11R2.106 C1=C(C2C(=NC=N2)C=N1)Br PB28034 [0,1,0,0,0,0|2,0,1]=4 305 B11R2.106 C1=C(C2C(=NC=N2)C=N1)Cl PB31564 [0,1,0,0,0,0|2,0,1]=4 306 B11R2.106 C1=C(C2C(=NC=N2)N=C1)Br PB16431 [0,1,0,0,0,0|2,0,1]=4 307 B11R2.106 C1=C(C2C(=NC=N2)N=C1)Cl PB36144 [0,1,0,0,0,0|2,0,1]=4 308 B11R2.106 C1=C(C2C(=NC=N2)N=C1)I PB24109 [0,1,0,0,0,0|2,0,1]=4 309 B11R2.106 C1=C2C(=CN=N2)C(=O)N=C1 MB69220 [0,1,0,0,0,0|3,0,0]=4 310 B11R2.106 C1=C2C(=NC=NC2=O)N=C1 PB29165 [0,1,0,0,0,0|3,0,0]=4 311 B11R2.106 C1=CN=C2C1=NC=NC2=O PB28030 [0,1,0,0,0,0|3,0,0]=4 312 B11R2.106 C1=NC2=NC=NC(=S)C2=N1 AB16826 [0,1,0,0,0,0|3,0,0]=4 313 B11R2.106 C1C=C2C(=NC=N2)C(=N1)Br PB25393 [0,1,0,0,0,0|2,0,1]=4 314 B11R2.106 C1C=C2C(=NC=N2)C(=N1)N PB30090 [0,1,0,0,0,0|2,0,1]=4 315 B11R2.106 C1C=CC(=C2C1=NC=C2)Br PB10160 [0,1,0,0,0,0|1,0,1]=3 316 B11R2.106 C1C=CC(=C2C1=NC=C2)Cl AB00468 [0,1,0,0,0,0|1,0,1]=3 317 B11R2.106 C1C=CC(=C2C1=NC=C2)F PB20892 [0,1,0,0,0,0|1,0,1]=3 318 B11R2.106 C1C=CC(=C2C1=NC=C2)O AB00472 [0,1,0,0,0,0|1,0,1]=3 319 B11R2.106 C1C=CC(=C2C1=NN=C2)Br PB12348 [0,1,0,0,0,0|2,0,1]=4 320 B11R2.106 C1C=CC(=C2C1=NN=C2)Cl PB29043 [0,1,0,0,0,0|2,0,1]=4 321 B11R2.106 C1C=CC(=C2C1=NN=C2)F PB12462 [0,1,0,0,0,0|2,0,1]=4 322 B11R2.106 C1C=CC(=C2C1=NN=C2)I PB27826 [0,1,0,0,0,0|2,0,1]=4 323 B11R2.106 C1C=CC(=C2C1=NN=C2)O PB22002 [0,1,0,0,0,0|2,0,1]=4 324 B11R2.106 C1C=CC(=C2C1=NN=N2)Br AB76773 [0,1,0,0,0,0|2,0,1]=4 325 B11R2.106 C1C=C[N+](=C2C1=NC=C2)[O-] PB26857 [0,1,0,0,0,0|2,0,1]=4 326 B11R2.106 CC1=C2C(=CC=N2)C=CC1 AB00504 [0,1,0,0,0,0|1,0,1]=3 327 B11R2.106 CC1=C2C(=CC=N2)N=CC1 PB26696 [0,1,0,0,0,0|2,0,1]=4 328 B11R2.106 CC1=C2C(=CN=N2)C=CC1 MB03490 [0,1,0,0,0,0|2,0,1]=4 329 B11R2.106 CC1=C2C(=NC=N2)N=CC1 PB30829 [0,1,0,0,0,0|2,0,1]=4 330 B11R2.106 CC1=C2C=CN=C2C=CC1 AB00476 [0,1,0,0,0,0|1,0,1]=3 331 B11R2.106 CC1=C2C=CN=C2N=CC1 PB19900 [0,1,0,0,0,0|2,0,1]=4 332 B11R2.106 CC1=C2C=NN=C2C=CC1 MB03676 [0,1,0,0,0,0|2,0,1]=4 333 B11R2.106 Cc1c2c(ncn1)N=CC2 PB13597 [0,1,0,0,0,0|3,0,0]=4 334 B11R2.106 Cc1cccc2c1CCN2 MB06155 [0,1,0,0,0,0|1,0,2]=4 335 B11R2.106 Cc1cccc2c1CNC2 MB06843 [0,1,0,0,0,0|3,0,0]=4 336 B11R2.106 Cc1cccc2c1NCC2 MB04566 [0,1,0,0,0,0|1,0,2]=4 337 B11R2.106 Cc1cccc2c1occ2 MB00742 [0,1,0,0,0,0|1,1,0]=3 338 B11R2.106 c1[nH]c(c-2ncnc2n1)N AB25067 [0,1,0,0,0,0|3,0,0]=4 339 B11R2.106 c1c2=CCN=c2c(cn1)Br PB15912 [0,1,0,0,0,0|2,0,1]=4 340 B11R2.106 c1c2=CCN=c2c(cn1)Cl PB13266 [0,1,0,0,0,0|2,0,1]=4 341 B11R2.106 c1c2=CCN=c2c(cn1)F PB30026 [0,1,0,0,0,0|2,0,1]=4 342 B11R2.106 c1c2=NCC=c2c(cn1)Br PB31599 [0,1,0,0,0,0|2,0,1]=4 343 B11R2.106 c1c2=NCC=c2c(cn1)Cl PB15239 [0,1,0,0,0,0|2,0,1]=4 344 B11R2.106 c1c2=NCC=c2c(cn1)F PB37419 [0,1,0,0,0,0|2,0,1]=4 345 B11R2.106 c1c2c(c(cn1)Br)N=NC2 PB13804 [0,1,0,0,0,0|3,0,0]=4 346 B11R2.106 c1cc(c2c(c1)N=NC2)N PB23340 [0,1,0,0,0,0|2,0,0]=3 347 B11R2.106 c1cc(c2c(c1)NCC2)N MB05532 [0,1,0,0,0,0|1,0,2]=4 348 B11R2.106 c1cc(c2c(c1)OCC2)N PB21917 [0,1,0,0,0,0|1,1,1]=4 349 B11R2.106 c1cc(c2ccoc2c1)N MB06879 [0,1,0,0,0,0|1,1,0]=3 350 B11R2.106 c1cc(c2ccoc2c1)O MB07641 [0,1,0,0,0,0|1,1,0]=3 351 B11R2.106 c1cc(c2nccn2c1)Br PB14615 [0,1,0,0,0,0|2,0,0]=3 352 B11R2.106 c1cc(c2nccn2c1)Br PB38167 [0,1,0,0,0,0|2,0,0]=3 353 B11R2.106 c1cc(c2nccn2c1)N PB32476 [0,1,0,0,0,0|2,0,0]=3 354 B11R2.106 c1cc(c2ncnn2c1)Br PB19103 [0,1,0,0,0,0|2,0,0]=3 355 B11R2.106 c1cc(c2nncn2c1)Br PB29098 [0,1,0,0,0,0|3,0,0]=4 356 B11R2.106 c1cc(n2ccnc2c1)N PB21879 [0,1,0,0,0,0|2,0,0]=3 357 B11R2.106 c1cc2c(c(c1)Br)CCC2 PB24478 [0,1,0,0,0,0|2,0,1]=4 358 B11R2.106 c1cc2c(c(c1)Br)CNC2 MB07470 [0,1,0,0,0,0|3,0,0]=4 359 B11R2.106 c1cc2c(c(c1)Br)ocn2 MB05566 [0,1,0,0,0,0|0,1,0]=2 360 B11R2.106 c1cc2c(c(c1)Br)scn2 PB17880 [0,1,0,0,0,0|0,0,0]=1 361 B11R2.106 c1cc2c(c(c1)Cl)CCN2 MB04569 [0,1,0,0,0,0|1,0,2]=4 362 B11R2.106 c1cc2c(c(c1)Cl)CNC2 MB05816 [0,1,0,0,0,0|3,0,0]=4 363 B11R2.106 c1cc2c(c(c1)Cl)ncs2 MB09046 [0,1,0,0,0,0|0,0,0]=1 364 B11R2.106 c1cc2c(c(c1)Cl)ocn2 MB20023 [0,1,0,0,0,0|0,1,0]=2 365 B11R2.106 c1cc2c(c(c1)F)CNC2 MB08984 [0,1,0,0,0,0|3,0,0]=4 366 B11R2.106 c1cc2c(c(c1)I)CNC2 MB11259 [0,1,0,0,0,0|3,0,0]=4 367 B11R2.106 c1cc2c(c(c1)N)CNC2 AB55999 [0,1,0,0,0,0|3,0,0]=4 368 B11R2.106 c1cc2c(c(c1)N)CNC2 AB66280 [0,1,0,0,0,0|3,0,0]=4 369 B11R2.106 c1cc2c(c(c1)N)NCC2 MB05535 [0,1,0,0,0,0|1,0,2]=4 370 B11R2.106 c1cc2c(c(c1)O)CCN2 MB07004 [0,1,0,0,0,0|1,0,2]=4 371 B11R2.106 c1cc2c(c(c1)O)CNC2 MB08983 [0,1,0,0,0,0|3,0,0]=4 372 B11R2.106 c1cc2c(cco2)[n+](c1)[O-] CB11844 [0,1,0,0,0,0|2,1,0]=4 373 B11R2.106 c1cc2c(cco2)c(c1)Br PB17600 [0,1,0,0,0,0|1,1,0]=3 374 B11R2.106 c1cc2c(cco2)c(c1)F MB08828 [0,1,0,0,0,0|1,1,0]=3 375 B11R2.106 c1cc2c(ccs2)c(c1)Br PB20282 [0,1,0,0,0,0|1,0,0]=2 376 B11R2.106 c1cc2ccnn2c(c1)Br AB28896 [0,1,0,0,0,0|2,0,0]=3 377 B11R2.106 c1cc2ccnn2c(c1)I AB48943 [0,1,0,0,0,0|2,0,0]=3 378 B11R2.106 c1cc2ccoc2c(c1)Br MB06925 [0,1,0,0,0,0|1,1,0]=3 379 B11R2.106 c1cc2ccoc2c(c1)N MB10414 [0,1,0,0,0,0|1,1,0]=3 380 B11R2.106 c1cc2ccsc2c(c1)Br AB25661 [0,1,0,0,0,0|1,0,0]=2 381 B11R2.106 c1cc2nccn2c(c1)Br PB32607 [0,1,0,0,0,0|2,0,0]=3 382 B11R2.106 c1cc2nccn2c(c1)Cl AB61232 [0,1,0,0,0,0|2,0,0]=3 383 B11R2.106 c1cc2ncnn2c(c1)Br PB14838 [0,1,0,0,0,0|2,0,0]=3 384 B11R2.106 c1cc2nncn2c(c1)Br PB16306 [0,1,0,0,0,0|3,0,0]=4 385 B11R2.106 c1cn2c(c(n1)Cl)ncn2 AB53019 [0,1,0,0,0,0|3,0,0]=4 386 B11R2.106 c1cn2ccnc(c2n1)Cl PB29694 [0,1,0,0,0,0|3,0,0]=4 387 B11R2.106 c1cn2ccnc2c(n1)N AB53126 [0,1,0,0,0,0|3,0,0]=4 388 B11R2.106 c1cnc(c2=CCN=c21)Br PB25087 [0,1,0,0,0,0|2,0,1]=4 389 B11R2.106 c1cnc(c2=NCC=c21)Br PB14366 [0,1,0,0,0,0|2,0,1]=4 390 B11R2.106 c1cnc(c2=NCC=c21)Cl PB26100 [0,1,0,0,0,0|2,0,1]=4 391 B11R2.106 c1cnc(c2=NCC=c21)N AB52926 [0,1,0,0,0,0|2,0,1]=4 392 B11R2.106 c1cnc(c2c1cco2)Cl PB14748 [0,1,0,0,0,0|2,1,0]=4 393 B11R2.106 c1cnc(c2c1cco2)N AB52921 [0,1,0,0,0,0|2,1,0]=4 394 B11R2.106 c1cnc(c2c1ccs2)Cl PB10318 [0,1,0,0,0,0|2,0,0]=3 395 B11R2.106 c1cnc(c2c1ccs2)N PB25207 [0,1,0,0,0,0|2,0,0]=3 396 B11R2.106 c1cnc(c2c1ncs2)Cl PB28427 [0,1,0,0,0,0|1,0,0]=2 397 B11R2.106 c1cnc(c2c1occ2)N AB52908 [0,1,0,0,0,0|2,1,0]=4 398 B11R2.106 c1cnc(c2c1scc2)Cl PB27550 [0,1,0,0,0,0|2,0,0]=3 399 B11R2.106 c1cnc(n2c1ncn2)Cl AB53426 [0,1,0,0,0,0|3,0,0]=4 400 B11R2.106 c1cnc(n2c1ncn2)N AB53431 [0,1,0,0,0,0|3,0,0]=4 401 B11R2.106 c1cnc(n2c1ncn2)O AB53422 [0,1,0,0,0,0|3,0,0]=4 402 B11R2.106 c1cnc2=CCN=c2c1Br PB10981 [0,1,0,0,0,0|2,0,1]=4 403 B11R2.106 c1cnc2=CCN=c2c1Cl PB14564 [0,1,0,0,0,0|2,0,1]=4 404 B11R2.106 c1cnc2=CCN=c2c1F PB25681 [0,1,0,0,0,0|2,0,1]=4 405 B11R2.106 c1cnc2=NCC=c2c1Br PB31039 [0,1,0,0,0,0|2,0,1]=4 406 B11R2.106 c1cnc2=NCC=c2c1Cl PB29499 [0,1,0,0,0,0|2,0,1]=4 407 B11R2.106 c1cnc2=NCC=c2c1F PB15996 [0,1,0,0,0,0|2,0,1]=4 408 B11R2.106 c1cnc2=NCC=c2c1N PB25081 [0,1,0,0,0,0|2,0,1]=4 409 B11R2.106 c1cnc2=NCC=c2c1O PB23574 [0,1,0,0,0,0|2,0,1]=4 410 B11R2.106 c1cnc2c(c1Br)N=NC2 AB71461 [0,1,0,0,0,0|3,0,0]=4 411 B11R2.106 c1cnc2c(c1Cl)N=NC2 PB19187 [0,1,0,0,0,0|3,0,0]=4 412 B11R2.106 c1cnc2c(c1Cl)cco2 PB22970 [0,1,0,0,0,0|2,1,0]=4 413 B11R2.106 c1cnc2ccoc2c1Cl PB22739 [0,1,0,0,0,0|2,1,0]=4 414 B11R2.106 c1cnc2ccsc2c1Cl PB17528 [0,1,0,0,0,0|2,0,0]=3 415 B11R2.106 c1cnc2ccsc2c1N MB06918 [0,1,0,0,0,0|2,0,0]=3 416 B11R2.106 c1cnc2ccsc2c1O PB32284 [0,1,0,0,0,0|2,0,0]=3 417 B11R2.106 c1cnc2nccn2c1Cl AB61265 [0,1,0,0,0,0|3,0,0]=4 418 B11R2.106 c1cnc2ncnn2c1Cl AB62876 [0,1,0,0,0,0|3,0,0]=4 419 B11R2.106 c1cnn2c1c(ncc2)Cl AB72522 [0,1,0,0,0,0|3,0,0]=4 420 B11R2.106 c1cnn2c1nccc2Cl PB27621 [0,1,0,0,0,0|3,0,0]=4 421 B11R2.106 c1cnn2c1nccc2O AB16977 [0,1,0,0,0,0|3,0,0]=4 422 B11R2.106 c1cnn2ccnc2c1N PB38542 [0,1,0,0,0,0|3,0,0]=4 423 B11R2.106 c1csc2c1c(cnc2)Cl MB08838 [0,1,0,0,0,0|2,0,0]=3 424 B11R2.106 c1csc2c1c(ncn2)Cl PB14219 [0,1,0,0,0,0|3,0,0]=4 425 B11R2.106 c1csc2c1ncnc2Cl PB24607 [0,1,0,0,0,0|3,0,0]=4 426 B11R2.106 c1csc2c1ncnc2N AB52930 [0,1,0,0,0,0|3,0,0]=4 427 B11R2.106 c1nc2c(s1)C(=O)CCC2 MB14638 [0,1,0,0,0,0|0,0,3]=4 428 B9R1.8 c1cc(cnc1)N=C=O AB08187 [0,0,1,0,0,0|1,1,1]=4 429 B9R1.8 c1ccc(cc1)NC#N MB01061 [0,0,1,0,0,0|1,0,2]=4 430 B9R1.8 c1ccc(cc1)\C=C\Br AB00116 [0,0,1,0,0,0|2,0,0]=3 431 B9R1.8 c1ccc(cc1)\C=N/O AB02488 [0,0,1,0,0,0|2,1,0]=4 432 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,0,1,0,0,0|2,1,0]=4 433 B9R1.8 c1cnccc1N=C=O AB44989 [0,0,1,0,0,0|1,1,1]=4 434 B9R1.15 C#Cc1ccccc1Br AB10375 [0,0,1,0,0,0|2,0,1]=4 435 B9R1.15 CSc1c(cccn1)O MB01598 [0,0,1,0,0,0|2,0,1]=4 436 B9R1.15 CSc1cccnc1Br MB13966 [0,0,1,0,0,0|2,0,1]=4 437 B9R1.15 CSc1ccncc1O MB25632 [0,0,1,0,0,0|2,0,1]=4 438 B9R1.15 CSc1cnccc1O MB31499 [0,0,1,0,0,0|2,0,1]=4 439 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,0,1,0,0,0|3,0,0]=4 440 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,0,1,0,0,0|2,1,0]=4 441 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,0,1,0,0,0|2,1,0]=4 442 B9R1.33 Cc1c(scn1)CC=O AB24882 [0,0,1,0,0,0|1,0,2]=4 443 B11R2.20 c1cc2c(cccn2)nc1 AB01787 [0,0,0,0,0,1|2,0,0]=3 444 B11R2.20 c1cc2cccnc2nc1 AB02373 [0,0,0,0,0,1|2,0,0]=3 445 B11R2.20 c1cc2cnccc2nc1 AB02371 [0,0,0,0,0,1|2,0,0]=3 446 B11R2.20 c1ccc2c(c1)CCN=C2 AB01545 [0,0,0,0,0,1|1,0,1]=3 447 B11R2.20 c1ccc2c(c1)NCCO2 MB02357 [0,0,0,0,0,1|0,1,2]=4 448 B8R1.2 c1cc(cnc1)C=O AB00744 [1,0,1,0,0,0|1,1,0]=4 449 B8R1.2 c1ccnc(c1)C=O AB00680 [1,0,1,0,0,0|1,1,0]=4 450 B8R1.2 c1cnccc1C=O AB00754 [1,0,1,0,0,0|1,1,0]=4 451 B8R1.11 Cc1c(ncs1)C=O AB62627 [1,0,1,0,0,0|1,0,1]=4 452 B8R1.11 Cc1c(scn1)C=O CB10986 [1,0,1,0,0,0|1,0,1]=4 453 B8R1.5 c1cc(c(nc1)N)S AB64540 [1,0,1,0,0,0|1,0,1]=4 454 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [1,0,1,0,0,0|2,0,0]=4 455 B10R1.1 Cc1ccc(cc1)CC=O AB02059 [0,1,1,0,0,0|1,1,0]=4 456 B10R1.1 Cc1ccc(cc1)\C=C\Br AB73509 [0,1,1,0,0,0|2,0,0]=4 457 B10R1.1 c1cc(ccc1CC=O)Br AB11790 [0,1,1,0,0,0|1,1,0]=4 458 B10R1.1 c1cc(ccc1CC=O)Cl AB11793 [0,1,1,0,0,0|1,1,0]=4 459 B10R1.1 c1cc(ccc1CC=O)F AB11805 [0,1,1,0,0,0|1,1,0]=4 460 B10R1.1 c1cc(ccc1CC=O)N AB27688 [0,1,1,0,0,0|1,1,0]=4 461 B10R1.1 c1cc(ccc1N=[N+]=[N-])Br AB50568 [0,1,1,0,0,0|2,0,0]=4 462 B10R1.1 c1cc(ccc1\C=C\Br)Br AB32162 [0,1,1,0,0,0|2,0,0]=4 463 B10R1.1 c1cc(ccc1\C=C\Br)Cl AB32165 [0,1,1,0,0,0|2,0,0]=4 464 B10R1.1 c1cc(ccc1\C=C\Br)F AB66443 [0,1,1,0,0,0|2,0,0]=4 465 B10R1.4 Cc1ccccc1CC=O AB11813 [0,1,1,0,0,0|1,1,0]=4 466 B10R1.10 Cc1cccc(c1)CC=O AB11815 [0,1,1,0,0,0|1,1,0]=4 467 B10R1.10 c1cc(cc(c1)Br)CC=O AB11787 [0,1,1,0,0,0|1,1,0]=4 468 B10R1.10 c1cc(cc(c1)Br)\C=C\Br AB73510 [0,1,1,0,0,0|2,0,0]=4 469 B10R1.10 c1cc(cc(c1)Cl)CC=O AB11792 [0,1,1,0,0,0|1,1,0]=4 470 B10R1.10 c1cc(cc(c1)F)CC=O AB11802 [0,1,1,0,0,0|1,1,0]=4 471 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,1,1,0,0,0|1,1,0]=4 472 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,1,1,0,0,0|1,1,0]=4 473 B10R1.17 c1ccc(cc1)CCC=O AB00823 [0,1,1,0,0,0|1,1,0]=4 474 B10R1.18 c1ccc(cc1)CC(=N)N AB29087 [0,1,1,0,0,0|1,0,0]=3 475 B10R1.66 c1cscc1\C=C\C(=O)Cl AB16567 [0,1,1,0,0,0|2,0,0]=4 476 B10R1.2 CSc1cccc(c1Br)O MB26789 [0,1,1,0,0,0|1,0,1]=4 477 B10R1.2 CSc1cccc(c1Cl)O MB33312 [0,1,1,0,0,0|1,0,1]=4 478 B10R1.2 CSc1cccc(c1F)O MB25404 [0,1,1,0,0,0|1,0,1]=4 479 B10R1.2 CSc1cccc(c1I)O MB31760 [0,1,1,0,0,0|1,0,1]=4 480 B10R1.2 CSc1cccc(c1N)O MB32351 [0,1,1,0,0,0|0,0,2]=4 481 B10R1.2 CSc1cccc(c1O)Cl MB27718 [0,1,1,0,0,0|1,0,1]=4 482 B10R1.2 CSc1cccc(c1O)F MB25614 [0,1,1,0,0,0|1,0,1]=4 483 B10R1.2 CSc1cccc(c1O)I MB28360 [0,1,1,0,0,0|1,0,1]=4 484 B10R1.2 CSc1cccc(c1O)N MB28757 [0,1,1,0,0,0|1,0,1]=4 485 B10R1.2 Cc1c(cccc1SC)O MB35924 [0,1,1,0,0,0|1,0,1]=4 486 B10R1.2 Cc1cccc(c1O)SC MB31066 [0,1,1,0,0,0|1,0,1]=4 487 B10R1.25 CSc1ccc(cc1Br)O MB25524 [0,1,1,0,0,0|1,0,1]=4 488 B10R1.25 CSc1ccc(cc1Cl)O MB38487 [0,1,1,0,0,0|1,0,1]=4 489 B10R1.25 CSc1ccc(cc1F)O MB25544 [0,1,1,0,0,0|1,0,1]=4 490 B10R1.25 CSc1ccc(cc1N)O MB34593 [0,1,1,0,0,0|0,0,2]=4 491 B10R1.25 CSc1ccc(cc1O)Br MB35434 [0,1,1,0,0,0|1,0,1]=4 492 B10R1.25 CSc1ccc(cc1O)F MB25440 [0,1,1,0,0,0|1,0,1]=4 493 B10R1.25 CSc1ccc(cc1O)I MB29501 [0,1,1,0,0,0|1,0,1]=4 494 B10R1.25 CSc1ccc(cc1O)N MB36502 [0,1,1,0,0,0|1,0,1]=4 495 B10R1.25 Cc1ccc(c(c1)O)SC MB02032 [0,1,1,0,0,0|1,0,1]=4 496 B10R1.30 CSc1cc(ccc1Br)O MB38334 [0,1,1,0,0,0|1,0,1]=4 497 B10R1.30 CSc1cc(ccc1Cl)O MB38239 [0,1,1,0,0,0|1,0,1]=4 498 B10R1.30 CSc1cc(ccc1F)O MB25679 [0,1,1,0,0,0|1,0,1]=4 499 B10R1.30 CSc1cc(ccc1I)O MB30001 [0,1,1,0,0,0|1,0,1]=4 500 B10R1.30 CSc1cc(ccc1N)O MB25516 [0,1,1,0,0,0|0,0,2]=4 501 B10R1.30 CSc1cc(ccc1O)Br MB28713 [0,1,1,0,0,0|1,0,1]=4 502 B10R1.30 CSc1cc(ccc1O)Cl MB35043 [0,1,1,0,0,0|1,0,1]=4 503 B10R1.30 CSc1cc(ccc1O)F MB35476 [0,1,1,0,0,0|1,0,1]=4 504 B10R1.30 CSc1cc(ccc1O)N MB29519 [0,1,1,0,0,0|1,0,1]=4 505 B10R1.30 Cc1ccc(c(c1)SC)O MB34646 [0,1,1,0,0,0|1,0,1]=4 506 B10R1.245 CSc1c(cccc1Br)O MB32344 [0,1,1,0,0,0|1,0,1]=4 507 B10R1.245 CSc1c(cccc1Cl)O MB25403 [0,1,1,0,0,0|1,0,1]=4 508 B10R1.245 CSc1c(cccc1I)O MB36697 [0,1,1,0,0,0|1,0,1]=4 509 B10R1.245 CSc1c(cccc1O)N MB26572 [0,1,1,0,0,0|0,0,2]=4 510 B10R1.245 Cc1cccc(c1SC)O MB08534 [0,1,1,0,0,0|1,0,1]=4 511 B12R2.24 Cc1ccc2c(n1)cccn2 PB12466 [0,1,0,0,0,1|2,0,0]=4 512 B12R2.24 Cc1ccc2cccnc2n1 AB17502 [0,1,0,0,0,1|2,0,0]=4 513 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,1,0,0,0,1|1,0,0]=3 514 B12R2.24 c1cc(cc2c1ccnc2)Br PB34202 [0,1,0,0,0,1|1,0,0]=3 515 B12R2.24 c1cc(cc2c1ccnc2)Cl MB00648 [0,1,0,0,0,1|1,0,0]=3 516 B12R2.24 c1cc(cc2c1ccnc2)F MB09751 [0,1,0,0,0,1|1,0,0]=3 517 B12R2.24 c1cc(cc2c1ccnc2)I MB09748 [0,1,0,0,0,1|1,0,0]=3 518 B12R2.24 c1cc(cc2c1ccnc2)N MB06457 [0,1,0,0,0,1|1,0,0]=3 519 B12R2.24 c1cc(cc2c1ccnc2)O MB01177 [0,1,0,0,0,1|1,0,0]=3 520 B12R2.24 c1cc(nc2c1cncc2)Br MB04110 [0,1,0,0,0,1|2,0,0]=4 521 B12R2.24 c1cc(nc2c1cncc2)Cl MB09141 [0,1,0,0,0,1|2,0,0]=4 522 B12R2.24 c1cc(nc2c1cncc2)N MB01025 [0,1,0,0,0,1|2,0,0]=4 523 B12R2.24 c1cc2c(cc(cn2)Br)nc1 AB64897 [0,1,0,0,0,1|2,0,0]=4 524 B12R2.24 c1cc2c(cc(cn2)N)nc1 AB68450 [0,1,0,0,0,1|2,0,0]=4 525 B12R2.24 c1cc2c(cc1Br)C=CCO2 AB56471 [0,1,0,0,0,1|1,1,0]=4 526 B12R2.24 c1cc2c(cc1Br)cncn2 PB12515 [0,1,0,0,0,1|1,0,0]=3 527 B12R2.24 c1cc2c(cc1Br)nccn2 AB07430 [0,1,0,0,0,1|1,0,0]=3 528 B12R2.24 c1cc2c(cc1Cl)cncn2 MB09911 [0,1,0,0,0,1|1,0,0]=3 529 B12R2.24 c1cc2c(cc1I)cncn2 MB07778 [0,1,0,0,0,1|1,0,0]=3 530 B12R2.24 c1cc2c(cc1N)C=NCC2 AB44239 [0,1,0,0,0,1|1,0,1]=4 531 B12R2.24 c1cc2c(cc1N)cncn2 AB60729 [0,1,0,0,0,1|1,0,0]=3 532 B12R2.24 c1cc2c(cc1N)nccn2 AB06131 [0,1,0,0,0,1|1,0,0]=3 533 B12R2.24 c1cc2c(cc1O)cncn2 MB01173 [0,1,0,0,0,1|1,0,0]=3 534 B12R2.24 c1cc2c(ccc(n2)Br)nc1 AB05219 [0,1,0,0,0,1|2,0,0]=4 535 B12R2.24 c1cc2c(ccc(n2)Cl)nc1 PB18055 [0,1,0,0,0,1|2,0,0]=4 536 B12R2.24 c1cc2c(ccc(n2)N)nc1 AB08278 [0,1,0,0,0,1|2,0,0]=4 537 B12R2.24 c1cc2c(cnc(n2)Cl)nc1 PB28512 [0,1,0,0,0,1|2,0,0]=4 538 B12R2.24 c1cc2c(nc1)ncc(n2)Cl AB27598 [0,1,0,0,0,1|2,0,0]=4 539 B12R2.24 c1cc2cc(ccc2nc1)Br AB01417 [0,1,0,0,0,1|1,0,0]=3 540 B12R2.24 c1cc2cc(cnc2nc1)Br AB17834 [0,1,0,0,0,1|2,0,0]=4 541 B12R2.24 c1cc2ccc(=O)[nH]c2nc1 PB26329 [0,1,0,0,0,1|2,0,0]=4 542 B12R2.24 c1cc2ccc(cc2nc1)Br AB15717 [0,1,0,0,0,1|1,0,0]=3 543 B12R2.24 c1cc2ccc(nc2nc1)Br AB05221 [0,1,0,0,0,1|2,0,0]=4 544 B12R2.24 c1cc2ccc(nc2nc1)Cl AB05225 [0,1,0,0,0,1|2,0,0]=4 545 B12R2.24 c1cc2ccc(nc2nc1)N AB08428 [0,1,0,0,0,1|2,0,0]=4 546 B12R2.24 c1cc2cnc(nc2nc1)Cl PB31117 [0,1,0,0,0,1|2,0,0]=4 547 B12R2.24 c1cc2cnccc2cc1Br PB29336 [0,1,0,0,0,1|1,0,0]=3 548 B12R2.24 c1cc2cnccc2cc1Cl MB08350 [0,1,0,0,0,1|1,0,0]=3 549 B12R2.24 c1cc2cnccc2cc1F MB09677 [0,1,0,0,0,1|1,0,0]=3 550 B12R2.24 c1cc2cnccc2cc1I MB09307 [0,1,0,0,0,1|1,0,0]=3 551 B12R2.24 c1cc2cnccc2cc1N AB19123 [0,1,0,0,0,1|1,0,0]=3 552 B12R2.24 c1cc2cnccc2cc1O AB19117 [0,1,0,0,0,1|1,0,0]=3 553 B12R2.24 c1cc2cncnc2cc1Br PB23522 [0,1,0,0,0,1|1,0,0]=3 554 B12R2.24 c1cc2cncnc2cc1Cl MB00894 [0,1,0,0,0,1|1,0,0]=3 555 B12R2.24 c1cc2cncnc2cc1N AB60731 [0,1,0,0,0,1|1,0,0]=3 556 B12R2.24 c1cc2cncnc2cc1O AB60737 [0,1,0,0,0,1|1,0,0]=3 557 B12R2.24 c1cc2cnncc2cc1Br PB16069 [0,1,0,0,0,1|2,0,0]=4 558 B12R2.24 c1ccc2c(c1)CC(=O)NC2 AB15535 [0,1,0,0,0,1|1,0,1]=4 559 B12R2.24 c1ccc2c(c1)CC(CS2)N AB18484 [0,1,0,0,0,1|1,0,1]=4 560 B12R2.24 c1ccc2c(c1)NC(=O)CO2 AB04166 [0,1,0,0,0,1|0,1,1]=4 561 B12R2.24 c1ccc2c(c1)NCC(=O)N2 AB04744 [0,1,0,0,0,1|1,0,1]=4 562 B12R2.24 c1ccc2c(c1)c[nH]c(=O)n2 MB05981 [0,1,0,0,0,1|1,0,0]=3 563 B12R2.24 c1ccc2c(c1)cc(cn2)Br AB00810 [0,1,0,0,0,1|1,0,0]=3 564 B12R2.24 c1ccc2c(c1)ccc(n2)Br MB01039 [0,1,0,0,0,1|1,0,0]=3 565 B12R2.24 c1ccc2c(c1)ccc(n2)Cl AB00798 [0,1,0,0,0,1|1,0,0]=3 566 B12R2.24 c1ccc2c(c1)cnc(n2)Cl AB55617 [0,1,0,0,0,1|1,0,0]=3 567 B12R2.24 c1ccc2c(c1)cnc(n2)N AB07784 [0,1,0,0,0,1|1,0,0]=3 568 B12R2.24 c1ccc2c(c1)ncc(n2)Br AB31889 [0,1,0,0,0,1|1,0,0]=3 569 B12R2.24 c1ccc2c(c1)ncc(n2)N MB00639 [0,1,0,0,0,1|1,0,0]=3 570 B12R2.24 c1ccc2cnc(cc2c1)Br PB12162 [0,1,0,0,0,1|1,0,0]=3 571 B12R2.24 c1ccc2cnc(cc2c1)Cl PB18703 [0,1,0,0,0,1|1,0,0]=3 572 B12R2.24 c1ccc2cnc(cc2c1)N AB03416 [0,1,0,0,0,1|1,0,0]=3 573 B12R2.24 c1ccc2cnc(cc2c1)O PB24595 [0,1,0,0,0,1|1,0,0]=3 574 B12R2.24 c1cnc2c(n1)cc(cn2)Br PB30680 [0,1,0,0,0,1|2,0,0]=4 575 B12R2.24 c1cncc2=CCC(=O)N=c21 AB42569 [0,1,0,0,0,1|2,0,0]=4 576 B12R2.24 c1cncc2c1cnc(n2)Cl PB11204 [0,1,0,0,0,1|2,0,0]=4 577 B12R2.1081 Cc1cccc2c1cncc2 MB06665 [0,1,0,0,0,1|1,0,0]=3 578 B12R2.1081 Cc1ccnc2c1cccn2 CB10327 [0,1,0,0,0,1|2,0,0]=4 579 B12R2.1081 c1cc(c2c(c1)nccn2)N AB09749 [0,1,0,0,0,1|1,0,0]=3 580 B12R2.1081 c1cc(c2cncnc2c1)N AB60734 [0,1,0,0,0,1|1,0,0]=3 581 B12R2.1081 c1cc2c(=O)[nH]cnc2nc1 PB19911 [0,1,0,0,0,1|2,0,0]=4 582 B12R2.1081 c1cc2c(c(=O)[nH]cn2)nc1 AB11918 [0,1,0,0,0,1|2,0,0]=4 583 B12R2.1081 c1cc2c(c(ccn2)Br)nc1 MB10238 [0,1,0,0,0,1|2,0,0]=4 584 B12R2.1081 c1cc2c(c(ncn2)Cl)nc1 PB22412 [0,1,0,0,0,1|2,0,0]=4 585 B12R2.1081 c1cc2c(cc[nH]c2=O)nc1 PB11849 [0,1,0,0,0,1|2,0,0]=4 586 B12R2.1081 c1cc2c(cccn2)c(c1)Br AB05240 [0,1,0,0,0,1|1,0,0]=3 587 B12R2.1081 c1cc2c(ccnc2Br)nc1 MB01013 [0,1,0,0,0,1|2,0,0]=4 588 B12R2.1081 c1cc2c(ccnc2Cl)nc1 PB32262 [0,1,0,0,0,1|2,0,0]=4 589 B12R2.1081 c1cc2c(ccnc2N)nc1 AB54489 [0,1,0,0,0,1|2,0,0]=4 590 B12R2.1081 c1cc2c(ccnc2nc1)Br AB64248 [0,1,0,0,0,1|2,0,0]=4 591 B12R2.1081 c1cc2c(ccnc2nc1)Cl MB05961 [0,1,0,0,0,1|2,0,0]=4 592 B12R2.1081 c1cc2c(ccnc2nc1)N AB22452 [0,1,0,0,0,1|2,0,0]=4 593 B12R2.1081 c1cc2c(cncn2)c(c1)Br PB25306 [0,1,0,0,0,1|1,0,0]=3 594 B12R2.1081 c1cc2c(cncn2)c(c1)O AB07778 [0,1,0,0,0,1|1,0,0]=3 595 B12R2.1081 c1cc2c(nc1)ncnc2Cl PB26181 [0,1,0,0,0,1|2,0,0]=4 596 B12R2.1081 c1cc2cc[nH]c(=O)c2nc1 AB64971 [0,1,0,0,0,1|2,0,0]=4 597 B12R2.1081 c1cc2cccnc2c(c1)Br AB04626 [0,1,0,0,0,1|1,0,0]=3 598 B12R2.1081 c1cc2ccnc(c2nc1)Br AB65459 [0,1,0,0,0,1|2,0,0]=4 599 B12R2.1081 c1cc2ccnc(c2nc1)Cl AB45031 [0,1,0,0,0,1|2,0,0]=4 600 B12R2.1081 c1cc2ccnc(c2nc1)N AB08899 [0,1,0,0,0,1|2,0,0]=4 601 B12R2.1081 c1cc2ccncc2c(c1)Br MB03403 [0,1,0,0,0,1|1,0,0]=3 602 B12R2.1081 c1cc2ccncc2c(c1)O AB06640 [0,1,0,0,0,1|1,0,0]=3 603 B12R2.1081 c1cc2cncc(c2nc1)Br PB12160 [0,1,0,0,0,1|2,0,0]=4 604 B12R2.1081 c1cc2cnccc2c(c1)Br AB09627 [0,1,0,0,0,1|1,0,0]=3 605 B12R2.1081 c1cc2cncnc2c(c1)N AB49290 [0,1,0,0,0,1|1,0,0]=3 606 B12R2.1081 c1cc2cncnc2c(c1)O AB07782 [0,1,0,0,0,1|1,0,0]=3 607 B12R2.1081 c1cc2cnncc2c(c1)Br MB09752 [0,1,0,0,0,1|2,0,0]=4 608 B12R2.1081 c1cc2cnncc2c(c1)N AB44290 [0,1,0,0,0,1|2,0,0]=4 609 B12R2.1081 c1ccc2c(c1)C(=O)CN=N2 MB06564 [0,1,0,0,0,1|1,0,1]=4 610 B12R2.1081 c1ccc2c(c1)c(ccn2)Br AB42051 [0,1,0,0,0,1|1,0,0]=3 611 B12R2.1081 c1ccc2c(c1)c(ccn2)N AB06141 [0,1,0,0,0,1|1,0,0]=3 612 B12R2.1081 c1ccc2c(c1)c(ncn2)Cl AB04999 [0,1,0,0,0,1|1,0,0]=3 613 B12R2.1081 c1ccc2c(c1)c(ncn2)N AB03303 [0,1,0,0,0,1|1,0,0]=3 614 B12R2.1081 c1ccc2c(c1)ccnc2Cl AB01423 [0,1,0,0,0,1|1,0,0]=3 615 B12R2.1081 c1ccc2c(c1)ccnc2I AB05244 [0,1,0,0,0,1|1,0,0]=3 616 B12R2.1081 c1ccc2c(c1)cncc2Br AB00815 [0,1,0,0,0,1|1,0,0]=3 617 B12R2.1081 c1ccc2c(c1)cncc2O AB05248 [0,1,0,0,0,1|1,0,0]=3 618 B12R2.1081 c1ccc2c(c1)cnnc2Cl AB01425 [0,1,0,0,0,1|2,0,0]=4 619 B12R2.1081 c1ccc2c(c1)cnnc2O AB03574 [0,1,0,0,0,1|2,0,0]=4 620 B12R2.1081 c1cnc(c2c1cncc2)Br AB65462 [0,1,0,0,0,1|2,0,0]=4 621 B12R2.1081 c1cnc(c2c1cncc2)Cl AB09607 [0,1,0,0,0,1|2,0,0]=4 622 B12R2.1081 c1cnc(c2c1cncc2)N AB64136 [0,1,0,0,0,1|2,0,0]=4 623 B12R2.1081 c1cnc(c2c1nccn2)Cl AB48705 [0,1,0,0,0,1|2,0,0]=4 624 B12R2.1081 c1cnc(c2c1nccn2)N AB53421 [0,1,0,0,0,1|2,0,0]=4 625 B12R2.1081 c1cnc2ccncc2c1N AB09610 [0,1,0,0,0,1|2,0,0]=4 626 B12R2.1081 c1cncc2c1C(=O)CC=N2 PB16378 [0,1,0,0,0,1|2,0,0]=4 627 B12R2.1081 c1cncc2c1c(ccn2)Cl PB25673 [0,1,0,0,0,1|2,0,0]=4 628 B12R2.1081 c1cncc2c1c(cnc2)Br AB73848 [0,1,0,0,0,1|2,0,0]=4 629 B12R2.1081 c1cncc2c1c(ncn2)Cl PB19089 [0,1,0,0,0,1|2,0,0]=4 630 B12R2.1081 c1cncc2c1ccnc2Cl PB30637 [0,1,0,0,0,1|2,0,0]=4 631 B12R2.1081 c1cncc2c1nc[nH]c2=O PB21323 [0,1,0,0,0,1|2,0,0]=4 632 B12R2.1081 c1cncc2c1nccc2Cl PB28088 [0,1,0,0,0,1|2,0,0]=4 633 B12R2.1081 c1cncc2c1ncnc2Cl PB22331 [0,1,0,0,0,1|2,0,0]=4 634 B12R2.1 C#CC1=c2ccccc2=NC1 AB06167 [0,2,0,0,0,0|1,0,1]=4 635 B12R2.1 C1=CC2C(=NC=C2CN)C=C1 AB09355 [0,2,0,0,0,0|1,0,1]=4 636 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [0,2,0,0,0,0|1,1,0]=4 637 B12R2.1 c1ccn2c(c1)c(cn2)C#N AB70358 [0,2,0,0,0,0|2,0,0]=4 638 B12R2.1 c1ccn2c(c1)c(cn2)C=O AB28440 [0,2,0,0,0,0|2,0,0]=4 639 B12R2.1 c1ccn2c(c1)c(cn2)CN AB28979 [0,2,0,0,0,0|2,0,0]=4 640 B12R2.1 c1ccn2c(c1)ncc2C=O AB42413 [0,2,0,0,0,0|2,0,0]=4 641 B12R2.1 c1ccn2c(c1)ncc2CCl AB23751 [0,2,0,0,0,0|2,0,0]=4 642 B12R2.1 c1ccn2c(c1)ncc2CN AB28479 [0,2,0,0,0,0|2,0,0]=4 643 B12R2.18 CC1=NC2=C(=C1Cl)C=CC=C2 AB56055 [0,2,0,0,0,0|1,0,1]=4 644 B12R2.18 Cn1c(c2ccccc2n1)Br PB35997 [0,2,0,0,0,0|2,0,0]=4 645 B12R2.18 Cn1c(c2ccccc2n1)I PB16519 [0,2,0,0,0,0|2,0,0]=4 646 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,2,0,0,0,0|1,0,0]=3 647 B12R2.132 C1C=C(C=C2C1=NC=C2N)Br MB07793 [0,2,0,0,0,0|1,0,1]=4 648 B12R2.132 C1C=C(C=C2C1=NC=C2O)Br AB43633 [0,2,0,0,0,0|1,0,1]=4 649 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [0,2,0,0,0,0|1,0,1]=4 650 B12R2.132 Cc1ccc2ncc(n2c1)I AB28972 [0,2,0,0,0,0|2,0,0]=4 651 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [0,2,0,0,0,0|1,1,0]=4 652 B12R2.132 Cn1ccc2c1cc(cc2)N AB55988 [0,2,0,0,0,0|1,0,1]=4 653 B12R2.132 c1c2c(cnc1Cl)scc2Br PB35592 [0,2,0,0,0,0|2,0,0]=4 654 B12R2.132 c1cc(nc2c1scc2Br)Cl PB11046 [0,2,0,0,0,0|2,0,0]=4 655 B12R2.132 c1cc2c(cc1Br)C(=O)N=N2 AB60842 [0,2,0,0,0,0|2,0,0]=4 656 B12R2.132 c1cc2c(cc1Cl)C(=O)N=N2 AB23768 [0,2,0,0,0,0|2,0,0]=4 657 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [0,2,0,0,0,0|1,1,0]=4 658 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [0,2,0,0,0,0|1,0,0]=3 659 B12R2.132 c1cc2ncc(n2cc1Br)N AB53900 [0,2,0,0,0,0|2,0,0]=4 660 B12R2.132 c1cc2ncc(n2cc1Cl)Br AB45826 [0,2,0,0,0,0|2,0,0]=4 661 B12R2.132 c1cc2ncc(n2cc1Cl)I AB28891 [0,2,0,0,0,0|2,0,0]=4 662 B12R2.132 c1cc2ncc(n2cc1N)Br PB26674 [0,2,0,0,0,0|2,0,0]=4 663 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [0,2,0,0,0,0|1,0,1]=4 664 B12R2.196 Cc1csc2c1ccnc2Cl AB63934 [0,2,0,0,0,0|2,0,0]=4 665 B12R2.196 Cc1csc2c1ccnc2O AB63938 [0,2,0,0,0,0|2,0,0]=4 666 B12R2.196 Cc1csc2c1nccc2Cl PB28684 [0,2,0,0,0,0|2,0,0]=4 667 B12R2.196 Cn1ccc2c1cccc2N AB43235 [0,2,0,0,0,0|1,0,1]=4 668 B12R2.196 Cn1cnc2c1ccnc2Cl PB12151 [0,2,0,0,0,0|2,0,0]=4 669 B12R2.196 c1cc(c2ncc(n2c1)Br)N PB34841 [0,2,0,0,0,0|2,0,0]=4 670 B12R2.196 c1cnc(c2c1c(cs2)Br)Cl PB19800 [0,2,0,0,0,0|2,0,0]=4 671 B12R2.196 c1cnc(c2c1c(cs2)Br)N PB15527 [0,2,0,0,0,0|2,0,0]=4 672 B12R2.203 c1cc2c(c(c1)Br)C(=O)N=N2 PB19342 [0,2,0,0,0,0|2,0,0]=4 673 B12R2.203 c1cnc(c2c1scc2Br)Cl PB31282 [0,2,0,0,0,0|2,0,0]=4 674 B12R2.203 c1cnc(c2c1scc2Br)N PB32605 [0,2,0,0,0,0|2,0,0]=4 675 B12R2.612 C1C=C(C=C2C1=C(C=N2)O)Br AB60347 [0,2,0,0,0,0|1,0,1]=4 676 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [0,2,0,0,0,0|2,0,0]=4 677 B12R2.612 Cc1ccn2c(c1)ncc2Br AB43022 [0,2,0,0,0,0|2,0,0]=4 678 B12R2.612 Cc1ccn2c(c1)ncc2I AB28973 [0,2,0,0,0,0|2,0,0]=4 679 B12R2.612 c1cc2c(cc1Cl)N=NC2=O AB60847 [0,2,0,0,0,0|2,0,0]=4 680 B12R2.612 c1cn2c(cc1N)ncc2Br PB26659 [0,2,0,0,0,0|2,0,0]=4 681 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [0,2,0,0,0,0|1,0,1]=4 682 B12R2.32 C1=CC2C(=NC(=N2)C=O)C=C1 AB04996 [0,2,0,0,0,0|1,0,1]=4 683 B12R2.32 C1=CC2C(=NC(=N2)CCl)C=C1 AB00449 [0,2,0,0,0,0|1,0,1]=4 684 B12R2.32 C1=CC2C(=NC(=N2)CN)C=C1 AB06180 [0,2,0,0,0,0|1,0,1]=4 685 B12R2.32 C1=CC2C=C(N=C2C=C1)C=O AB12824 [0,2,0,0,0,0|1,0,1]=4 686 B12R2.32 C1=CC2C=C(N=C2C=C1)CN AB14523 [0,2,0,0,0,0|1,0,1]=4 687 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [0,2,0,0,0,0|1,1,0]=4 688 B12R2.32 CNc1nc2ccccc2s1 AB01569 [0,2,0,0,0,0|0,0,0]=2 689 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [0,2,0,0,0,0|1,1,0]=4 690 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [0,2,0,0,0,0|1,0,0]=3 691 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [0,2,0,0,0,0|0,1,0]=3 692 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [0,2,0,0,0,0|0,1,0]=3 693 B12R2.32 c1ccc2c(c1)nc(o2)NN AB03197 [0,2,0,0,0,0|0,1,0]=3 694 B12R2.32 c1ccc2c(c1)nc(s2)C=O AB06418 [0,2,0,0,0,0|0,0,0]=2 695 B12R2.32 c1ccc2c(c1)nc(s2)CCl AB22411 [0,2,0,0,0,0|0,0,0]=2 696 B12R2.32 c1ccc2c(c1)nc(s2)CN AB15872 [0,2,0,0,0,0|0,0,0]=2 697 B12R2.32 c1ccn2c(c1)cc(n2)C=O AB19635 [0,2,0,0,0,0|2,0,0]=4 698 B12R2.32 c1ccn2c(c1)cc(n2)CN AB19631 [0,2,0,0,0,0|2,0,0]=4 699 B12R2.32 c1ccn2c(c1)cc(n2)CN AB48939 [0,2,0,0,0,0|2,0,0]=4 700 B12R2.32 c1ccn2cc(nc2c1)CCl AB05508 [0,2,0,0,0,0|2,0,0]=4 701 B12R2.202 CC1=C2C(=NC(=N2)N)C=CC1 AB15833 [0,2,0,0,0,0|1,0,1]=4 702 B12R2.202 Cc1cc2c(s1)c(ccn2)Cl PB11255 [0,2,0,0,0,0|2,0,0]=4 703 B12R2.202 Cc1cc2c(s1)ccnc2Cl AB53964 [0,2,0,0,0,0|2,0,0]=4 704 B12R2.202 Cc1cccc2=NC(=O)N=c12 AB44499 [0,2,0,0,0,0|1,0,0]=3 705 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [0,2,0,0,0,0|0,1,0]=3 706 B12R2.202 Cc1cccc2c1nc(s2)Br AB16505 [0,2,0,0,0,0|0,0,0]=2 707 B12R2.202 Cc1cccc2c1nc(s2)Cl AB16506 [0,2,0,0,0,0|0,0,0]=2 708 B12R2.202 Cc1cccc2c1nc(s2)O AB16509 [0,2,0,0,0,0|0,0,0]=2 709 B12R2.202 Cc1cccc2c1nc(s2)S AB62961 [0,2,0,0,0,0|0,0,0]=2 710 B12R2.202 Cc1cccc2c1oc(n2)S AB66120 [0,2,0,0,0,0|0,1,0]=3 711 B12R2.202 Cc1cccc2c1sc(n2)S AB66145 [0,2,0,0,0,0|0,0,0]=2 712 B12R2.202 Cc1cccn2c1nc(c2)C AB63390 [0,2,0,0,0,0|2,0,0]=4 713 B12R2.202 Cc1cn2c(n1)cccc2Br MB08766 [0,2,0,0,0,0|2,0,0]=4 714 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [0,2,0,0,0,0|0,1,0]=3 715 B12R2.202 Cc1nc2c(s1)cccc2Cl MB01603 [0,2,0,0,0,0|0,0,0]=2 716 B12R2.202 Cc1nc2cccc(c2o1)Cl MB20025 [0,2,0,0,0,0|0,1,0]=3 717 B12R2.202 Cn1cc2c(cccc2n1)N PB28070 [0,2,0,0,0,0|2,0,0]=4 718 B12R2.202 Cn1cc2c(n1)cccc2Br PB25224 [0,2,0,0,0,0|2,0,0]=4 719 B12R2.202 Cn1cc2c(n1)cccc2I PB31630 [0,2,0,0,0,0|2,0,0]=4 720 B12R2.202 Cn1cc2cccc(c2n1)Br PB31415 [0,2,0,0,0,0|2,0,0]=4 721 B12R2.202 Cn1cc2cccc(c2n1)I PB25464 [0,2,0,0,0,0|2,0,0]=4 722 B12R2.202 Cn1cc2cccc(c2n1)N PB18621 [0,2,0,0,0,0|2,0,0]=4 723 B12R2.202 c1c2c(c(cn1)Cl)nc(s2)Br PB11117 [0,2,0,0,0,0|1,0,0]=3 724 B12R2.202 c1cc(c2c(c1)nc(o2)S)N AB66126 [0,2,0,0,0,0|0,1,0]=3 725 B12R2.202 c1cc(c2c(c1)nc(s2)S)N AB66153 [0,2,0,0,0,0|0,0,0]=2 726 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [0,2,0,0,0,0|0,1,0]=3 727 B12R2.202 c1cc(c2c(c1)sc(n2)Br)F AB16679 [0,2,0,0,0,0|0,0,0]=2 728 B12R2.202 c1cc(c2c(c1)sc(n2)S)N AB66148 [0,2,0,0,0,0|0,0,0]=2 729 B12R2.202 c1cc(c2cc(nn2c1)N)Br PB37649 [0,2,0,0,0,0|2,0,0]=4 730 B12R2.202 c1cc(c2nc(nn2c1)N)Br PB27018 [0,2,0,0,0,0|2,0,0]=4 731 B12R2.202 c1cc2c(c(c1)Br)CC(=O)C2 PB34393 [0,2,0,0,0,0|2,0,0]=4 732 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 PB23473 [0,2,0,0,0,0|1,0,1]=4 733 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 PB17281 [0,2,0,0,0,0|1,0,1]=4 734 B12R2.202 c1cc2c(c(c1)Br)nc(s2)Cl AB20895 [0,2,0,0,0,0|0,0,0]=2 735 B12R2.202 c1cc2c(c(c1)Br)sc(n2)Cl AB51274 [0,2,0,0,0,0|0,0,0]=2 736 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 AB15885 [0,2,0,0,0,0|1,0,1]=4 737 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 AB25436 [0,2,0,0,0,0|1,0,1]=4 738 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [0,2,0,0,0,0|0,1,0]=3 739 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)S AB23779 [0,2,0,0,0,0|0,0,0]=2 740 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [0,2,0,0,0,0|0,1,0]=3 741 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)S AB44916 [0,2,0,0,0,0|0,1,0]=3 742 B12R2.202 c1cc2c(c(c1)Cl)sc(n2)Cl AB49471 [0,2,0,0,0,0|0,0,0]=2 743 B12R2.202 c1cc2c(c(c1)Cl)sc(n2)S AB23783 [0,2,0,0,0,0|0,0,0]=2 744 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 AB17595 [0,2,0,0,0,0|1,0,1]=4 745 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 AB11394 [0,2,0,0,0,0|1,0,1]=4 746 B12R2.202 c1cc2c(c(c1)F)S=C(N2)Cl AB69982 [0,2,0,0,0,0|0,0,2]=4 747 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [0,2,0,0,0,0|0,1,0]=3 748 B12R2.202 c1cc2c(c(c1)F)oc(n2)Cl AB70781 [0,2,0,0,0,0|0,1,0]=3 749 B12R2.202 c1cc2c(c(c1)O)CC(=O)N2 AB13551 [0,2,0,0,0,0|1,0,1]=4 750 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br PB35935 [0,2,0,0,0,0|1,0,0]=3 751 B12R2.202 c1cc2c(cn(n2)N)c(c1)Cl MB14918 [0,2,0,0,0,0|2,0,0]=4 752 B12R2.202 c1cc2cc(sc2c(c1)Br)N PB11619 [0,2,0,0,0,0|1,0,0]=3 753 B12R2.202 c1cc2nc(nn2c(c1)Br)N PB20620 [0,2,0,0,0,0|2,0,0]=4 754 B12R2.202 c1cnc2cc(sc2c1Cl)Br PB11187 [0,2,0,0,0,0|2,0,0]=4 755 B12R2.202 c1cnc2cc(sc2c1Cl)I PB17532 [0,2,0,0,0,0|2,0,0]=4 756 B12R2.606 C1C=C(C=C2C1=NC(=N2)Cl)F MB09132 [0,2,0,0,0,0|1,0,1]=4 757 B12R2.606 C1C=C(C=C2C1=NC(=N2)N)Br AB26310 [0,2,0,0,0,0|1,0,1]=4 758 B12R2.606 C1C=C(C=C2C1=NC(=N2)N)Cl AB07015 [0,2,0,0,0,0|1,0,1]=4 759 B12R2.606 C1C=C(C=C2C1=NC(=N2)N)F AB26313 [0,2,0,0,0,0|1,0,1]=4 760 B12R2.606 C1C=C(C=C2C1=NC(=N2)N)I AB26317 [0,2,0,0,0,0|1,0,1]=4 761 B12R2.606 CC1=CC2C(=NC(=N2)C)C=C1 AB03517 [0,2,0,0,0,0|1,0,1]=4 762 B12R2.606 CC1=CC2C(=NC(=N2)N)C=C1 AB09657 [0,2,0,0,0,0|1,0,1]=4 763 B12R2.606 CC1=NC2=C(=C1)C=C(C=C2)F PB29177 [0,2,0,0,0,0|1,0,1]=4 764 B12R2.606 CC1=NC2=C(=N1)C=CC(=C2)Br AB06067 [0,2,0,0,0,0|1,0,1]=4 765 B12R2.606 CC1=NC2=C(=N1)C=CC(=C2)Cl AB01154 [0,2,0,0,0,0|1,0,1]=4 766 B12R2.606 CC1=NC2=C(=N1)C=CC(=C2)F AB07102 [0,2,0,0,0,0|1,0,1]=4 767 B12R2.606 CC1=NC2=C(=N1)C=CC(=C2)I AB06070 [0,2,0,0,0,0|1,0,1]=4 768 B12R2.606 CC1=NC2=C(=N1)C=CC(=C2)N AB06245 [0,2,0,0,0,0|1,0,1]=4 769 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [0,2,0,0,0,0|1,1,0]=4 770 B12R2.606 Cc1ccc2=NC(=O)N=c2c1 AB07026 [0,2,0,0,0,0|1,0,0]=3 771 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [0,2,0,0,0,0|0,1,0]=3 772 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [0,2,0,0,0,0|0,1,0]=3 773 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [0,2,0,0,0,0|0,1,0]=3 774 B12R2.606 Cc1ccc2c(c1)nc(s2)S AB62960 [0,2,0,0,0,0|0,0,0]=2 775 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl AB65043 [0,2,0,0,0,0|0,1,0]=3 776 B12R2.606 Cc1ccc2c(c1)oc(n2)S AB03206 [0,2,0,0,0,0|0,1,0]=3 777 B12R2.606 Cc1ccc2c(c1)sc(n2)S AB42352 [0,2,0,0,0,0|0,0,0]=2 778 B12R2.606 Cc1cn2cc(ccc2n1)Br MB07679 [0,2,0,0,0,0|2,0,0]=4 779 B12R2.606 Cc1nc2c(o1)cc(cn2)Br AB63472 [0,2,0,0,0,0|1,1,0]=4 780 B12R2.606 Cc1nc2c(o1)ccc(n2)Br AB63468 [0,2,0,0,0,0|1,1,0]=4 781 B12R2.606 Cc1nc2cc(cnc2o1)Br AB40955 [0,2,0,0,0,0|1,1,0]=4 782 B12R2.606 Cc1nc2cc(cnc2o1)Cl AB41020 [0,2,0,0,0,0|1,1,0]=4 783 B12R2.606 Cc1nc2cc(cnc2s1)Br AB40958 [0,2,0,0,0,0|1,0,0]=3 784 B12R2.606 Cc1nc2cc(cnc2s1)Cl AB41024 [0,2,0,0,0,0|1,0,0]=3 785 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [0,2,0,0,0,0|0,1,0]=3 786 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [0,2,0,0,0,0|0,1,0]=3 787 B12R2.606 Cc1nc2ccc(cn2n1)Br AB49513 [0,2,0,0,0,0|2,0,0]=4 788 B12R2.606 Cn1cc2cc(ccc2n1)Br PB25227 [0,2,0,0,0,0|2,0,0]=4 789 B12R2.606 Cn1cc2cc(ccc2n1)I PB22596 [0,2,0,0,0,0|2,0,0]=4 790 B12R2.606 Cn1cc2cc(ccc2n1)N PB20057 [0,2,0,0,0,0|2,0,0]=4 791 B12R2.606 Cn1cc2ccc(cc2n1)Br PB22304 [0,2,0,0,0,0|2,0,0]=4 792 B12R2.606 Cn1cc2ccc(cc2n1)I PB25468 [0,2,0,0,0,0|2,0,0]=4 793 B12R2.606 Cn1cc2ccc(cc2n1)N PB18494 [0,2,0,0,0,0|2,0,0]=4 794 B12R2.606 c1c(cnc2=NC(=O)N=c21)Br AB07044 [0,2,0,0,0,0|2,0,0]=4 795 B12R2.606 c1c(cnc2=NC(=O)N=c21)Cl AB04967 [0,2,0,0,0,0|2,0,0]=4 796 B12R2.606 c1c(cnc2c1nc(s2)Cl)Br AB70003 [0,2,0,0,0,0|1,0,0]=3 797 B12R2.606 c1c(cnc2c1nc(s2)Cl)Cl AB69997 [0,2,0,0,0,0|1,0,0]=3 798 B12R2.606 c1c(cnc2c1nc(s2)Cl)F AB70007 [0,2,0,0,0,0|1,0,0]=3 799 B12R2.606 c1c(cnc2c1nc(s2)N)Br AB64643 [0,2,0,0,0,0|1,0,0]=3 800 B12R2.606 c1cc(cc2c1cc(s2)N)Br PB27099 [0,2,0,0,0,0|1,0,0]=3 801 B12R2.606 c1cc(cn2c1cc(n2)Br)Cl PB31663 [0,2,0,0,0,0|2,0,0]=4 802 B12R2.606 c1cc(nc2=NC(=O)N=c21)Cl AB26090 [0,2,0,0,0,0|2,0,0]=4 803 B12R2.606 c1cc(nc2c1cc(s2)Br)Cl AB48721 [0,2,0,0,0,0|2,0,0]=4 804 B12R2.606 c1cc(nc2c1nc(s2)N)Cl AB05885 [0,2,0,0,0,0|1,0,0]=3 805 B12R2.606 c1cc2=NC(=O)N=c2cc1Br AB10496 [0,2,0,0,0,0|1,0,0]=3 806 B12R2.606 c1cc2=NC(=O)N=c2cc1F AB21861 [0,2,0,0,0,0|1,0,0]=3 807 B12R2.606 c1cc2=NC(=O)N=c2cc1I AB21858 [0,2,0,0,0,0|1,0,0]=3 808 B12R2.606 c1cc2=NC(=S)N=c2cc1Br AB26155 [0,2,0,0,0,0|1,0,0]=3 809 B12R2.606 c1cc2c(cc1Br)CC(=O)C2 AB42440 [0,2,0,0,0,0|2,0,0]=4 810 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 PB32208 [0,2,0,0,0,0|1,0,1]=4 811 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 PB24760 [0,2,0,0,0,0|1,0,1]=4 812 B12R2.606 c1cc2c(cc1Br)cc(s2)N PB15286 [0,2,0,0,0,0|1,0,0]=3 813 B12R2.606 c1cc2c(cc1Br)nc(o2)Cl AB63671 [0,2,0,0,0,0|0,1,0]=3 814 B12R2.606 c1cc2c(cc1Br)nc(o2)N AB09697 [0,2,0,0,0,0|0,1,0]=3 815 B12R2.606 c1cc2c(cc1Br)nc(s2)Cl AB51271 [0,2,0,0,0,0|0,0,0]=2 816 B12R2.606 c1cc2c(cc1Br)nc(s2)N MB01323 [0,2,0,0,0,0|0,0,0]=2 817 B12R2.606 c1cc2c(cc1Br)oc(n2)Cl AB63667 [0,2,0,0,0,0|0,1,0]=3 818 B12R2.606 c1cc2c(cc1Br)oc(n2)N MB01972 [0,2,0,0,0,0|0,1,0]=3 819 B12R2.606 c1cc2c(cc1Br)sc(n2)Cl AB20897 [0,2,0,0,0,0|0,0,0]=2 820 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 AB04636 [0,2,0,0,0,0|1,0,1]=4 821 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 AB04797 [0,2,0,0,0,0|1,0,1]=4 822 B12R2.606 c1cc2c(cc1Cl)cn(n2)N MB14915 [0,2,0,0,0,0|2,0,0]=4 823 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl PB26446 [0,2,0,0,0,0|0,1,0]=3 824 B12R2.606 c1cc2c(cc1Cl)nc(o2)S AB04398 [0,2,0,0,0,0|0,1,0]=3 825 B12R2.606 c1cc2c(cc1Cl)nc(s2)Cl AB01965 [0,2,0,0,0,0|0,0,0]=2 826 B12R2.606 c1cc2c(cc1Cl)nc(s2)N AB04766 [0,2,0,0,0,0|0,0,0]=2 827 B12R2.606 c1cc2c(cc1Cl)nc(s2)S AB00531 [0,2,0,0,0,0|0,0,0]=2 828 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl AB32054 [0,2,0,0,0,0|0,1,0]=3 829 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [0,2,0,0,0,0|0,1,0]=3 830 B12R2.606 c1cc2c(cc1Cl)oc(n2)S AB07270 [0,2,0,0,0,0|0,1,0]=3 831 B12R2.606 c1cc2c(cc1Cl)sc(n2)S AB06691 [0,2,0,0,0,0|0,0,0]=2 832 B12R2.606 c1cc2c(cc1F)CC(=O)N2 AB11374 [0,2,0,0,0,0|1,0,1]=4 833 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AB02036 [0,2,0,0,0,0|1,0,1]=4 834 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [0,2,0,0,0,0|0,1,0]=3 835 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [0,2,0,0,0,0|0,1,0]=3 836 B12R2.606 c1cc2c(cc1F)nc(s2)N MB03574 [0,2,0,0,0,0|0,0,0]=2 837 B12R2.606 c1cc2c(cc1I)CC(=O)N2 MB06441 [0,2,0,0,0,0|1,0,1]=4 838 B12R2.606 c1cc2c(cc1N)CC(=O)N2 PB27577 [0,2,0,0,0,0|1,0,1]=4 839 B12R2.606 c1cc2c(cc1N)NC(=O)C2 PB17556 [0,2,0,0,0,0|1,0,1]=4 840 B12R2.606 c1cc2c(cc1N)nc(s2)S AB66150 [0,2,0,0,0,0|0,0,0]=2 841 B12R2.606 c1cc2c(cc1N)oc(n2)S AB48296 [0,2,0,0,0,0|0,1,0]=3 842 B12R2.606 c1cc2c(cc1N)sc(n2)S AB02354 [0,2,0,0,0,0|0,0,0]=2 843 B12R2.606 c1cc2c(cc1O)NC(=O)C2 AB21813 [0,2,0,0,0,0|1,0,1]=4 844 B12R2.606 c1cc2nc(cn2cc1Cl)Cl AB44153 [0,2,0,0,0,0|2,0,0]=4 845 B12R2.606 c1cc2nc(cn2cc1F)Br AB62506 [0,2,0,0,0,0|2,0,0]=4 846 B12R2.606 c1cc2nc(nn2cc1Br)Cl AB72785 [0,2,0,0,0,0|2,0,0]=4 847 B12R2.606 c1cc2nc(nn2cc1Br)N PB26677 [0,2,0,0,0,0|2,0,0]=4 848 B12R2.606 c1cn2c(cc1Br)nc(n2)N PB32995 [0,2,0,0,0,0|2,0,0]=4 849 B12R2.606 c1cn2cc(nc2cc1Cl)Cl AB28889 [0,2,0,0,0,0|2,0,0]=4 850 B12R2.44 C#CC1=CC2C=CN=C2C=C1 AB64484 [0,2,0,0,0,0|1,0,1]=4 851 B12R2.44 C#Cc1ccc2c(c1)N=NC2 PB21039 [0,2,0,0,0,0|2,0,0]=4 852 B12R2.44 C1C=C(C=C2C1=NC=C2)C#N PB25883 [0,2,0,0,0,0|1,0,1]=4 853 B12R2.44 C1C=C(C=C2C1=NC=C2)C=O AB10798 [0,2,0,0,0,0|1,0,1]=4 854 B12R2.44 C1C=C(C=C2C1=NC=C2)CN AB09848 [0,2,0,0,0,0|1,0,1]=4 855 B12R2.44 C1C=C(C=C2C1=NC=C2)CO AB11366 [0,2,0,0,0,0|1,0,1]=4 856 B12R2.44 C1C=C(C=C2C1=NC=N2)C#N AB30476 [0,2,0,0,0,0|1,0,1]=4 857 B12R2.44 C1C=C(C=C2C1=NC=N2)C=O AB48780 [0,2,0,0,0,0|1,0,1]=4 858 B12R2.44 C1C=C(C=C2C1=NC=N2)CN AB51535 [0,2,0,0,0,0|1,0,1]=4 859 B12R2.44 C1C=C2C=CN=C2C=C1C#N AB01213 [0,2,0,0,0,0|1,0,1]=4 860 B12R2.44 C1C=C2C=CN=C2C=C1C=O AB11369 [0,2,0,0,0,0|1,0,1]=4 861 B12R2.44 C1C=C2C=CN=C2C=C1CO AB11368 [0,2,0,0,0,0|1,0,1]=4 862 B12R2.44 COC1=CC2C=CN=C2C=C1 AB00488 [0,2,0,0,0,0|1,0,1]=4 863 B12R2.44 COc1ccc2c(c1)N=CC2 AB01327 [0,2,0,0,0,0|1,0,0]=3 864 B12R2.44 COc1ccc2c(c1)N=NC2 PB23628 [0,2,0,0,0,0|2,0,0]=4 865 B12R2.44 COc1ccc2c(c1)scn2 AB10586 [0,2,0,0,0,0|0,0,0]=2 866 B12R2.44 COc1ccc2c(n1)N=CC2 PB18740 [0,2,0,0,0,0|2,0,0]=4 867 B12R2.44 c1cc(cc2c1cco2)C#N MB09726 [0,2,0,0,0,0|1,1,0]=4 868 B12R2.44 c1cc(cc2c1cco2)C=O MB06876 [0,2,0,0,0,0|1,1,0]=4 869 B12R2.44 c1cc2c(cc1C#N)ncs2 AB26033 [0,2,0,0,0,0|0,0,0]=2 870 B12R2.44 c1cc2c(cc1C#N)scn2 AB26026 [0,2,0,0,0,0|0,0,0]=2 871 B12R2.44 c1cc2c(cco2)cc1C#N MB03560 [0,2,0,0,0,0|1,1,0]=4 872 B12R2.44 c1cc2c(cco2)cc1C=O MB02725 [0,2,0,0,0,0|1,1,0]=4 873 B12R2.44 c1cc2c(cco2)cc1CO MB03310 [0,2,0,0,0,0|1,1,0]=4 874 B12R2.44 c1cc2c(ccs2)cc1C#N MB03564 [0,2,0,0,0,0|1,0,0]=3 875 B12R2.44 c1cc2c(ccs2)cc1C=O MB03492 [0,2,0,0,0,0|1,0,0]=3 876 B12R2.44 c1cc2nccn2cc1C#N PB20190 [0,2,0,0,0,0|2,0,0]=4 877 B12R2.44 c1cc2nccn2cc1C=O PB22050 [0,2,0,0,0,0|2,0,0]=4 878 B12R2.44 c1cc2nccn2cc1CN AB44926 [0,2,0,0,0,0|2,0,0]=4 879 B12R2.44 c1cc2nccn2cc1CO PB13061 [0,2,0,0,0,0|2,0,0]=4 880 B12R2.44 c1cc2ncnn2cc1C=O AB63689 [0,2,0,0,0,0|2,0,0]=4 881 B12R2.44 c1cn2ccnc2cc1C#N PB19076 [0,2,0,0,0,0|2,0,0]=4 882 B12R2.44 c1cn2ccnc2cc1C=O PB17705 [0,2,0,0,0,0|2,0,0]=4 883 B12R2.44 c1cn2ccnc2cc1CO PB28425 [0,2,0,0,0,0|2,0,0]=4 884 B12R2.44 c1csc2c1ncc(c2)C#N PB20555 [0,2,0,0,0,0|2,0,0]=4 885 B12R2.82 C1C=C2C(=CC=N2)C(=C1Cl)F AB08025 [0,2,0,0,0,0|1,0,1]=4 886 B12R2.82 C1C=C2C(=CC=N2)C(=C1F)Cl MB12195 [0,2,0,0,0,0|1,0,1]=4 887 B12R2.82 C1C=C2C(=CC=N2)C(=C1F)F MB02141 [0,2,0,0,0,0|1,0,1]=4 888 B12R2.82 C1C=C2C(=CC=N2)C(=C1O)F AB31790 [0,2,0,0,0,0|1,0,1]=4 889 B12R2.82 C1C=C2C=CN=C2C(=C1Cl)Cl PB11169 [0,2,0,0,0,0|1,0,1]=4 890 B12R2.82 Cc1c(cnc2c1CC=N2)Br PB26757 [0,2,0,0,0,0|2,0,0]=4 891 B12R2.82 c1cc(c(c2c1cco2)Br)F MB06990 [0,2,0,0,0,0|1,1,0]=4 892 B12R2.100 C1=C(C(=CC2=NC=NC21)Cl)Cl MB00935 [0,2,0,0,0,0|1,0,1]=4 893 B12R2.100 c1c2=CCN=c2cc(c1Br)F PB17872 [0,2,0,0,0,0|1,0,1]=4 894 B12R2.100 c1c2=CCN=c2cc(c1Cl)Cl PB23210 [0,2,0,0,0,0|1,0,1]=4 895 B12R2.100 c1c2=CCN=c2cc(c1Cl)F MB01658 [0,2,0,0,0,0|1,0,1]=4 896 B12R2.100 c1c2=CCN=c2cc(c1F)Br PB17742 [0,2,0,0,0,0|1,0,1]=4 897 B12R2.100 c1c2=CCN=c2cc(c1F)Cl PB12726 [0,2,0,0,0,0|1,0,1]=4 898 B12R2.100 c1c2=CCN=c2cc(c1F)F MB01663 [0,2,0,0,0,0|1,0,1]=4 899 B12R2.100 c1c2=CCN=c2cc(c1O)Br PB28586 [0,2,0,0,0,0|1,0,1]=4 900 B12R2.100 c1c2=CCN=c2cc(c1O)Cl PB21381 [0,2,0,0,0,0|1,0,1]=4 901 B12R2.100 c1c2c(cc(c1Br)F)N=NC2 PB31522 [0,2,0,0,0,0|2,0,0]=4 902 B12R2.100 c1c2c(cc(c1Br)O)N=NC2 MB15046 [0,2,0,0,0,0|2,0,0]=4 903 B12R2.100 c1c2c(cc(c1Cl)Cl)N=NC2 PB16453 [0,2,0,0,0,0|2,0,0]=4 904 B12R2.100 c1c2c(cc(c1Cl)O)N=NC2 MB15043 [0,2,0,0,0,0|2,0,0]=4 905 B12R2.100 c1c2c(cc(c1F)Br)N=NC2 PB11658 [0,2,0,0,0,0|2,0,0]=4 906 B12R2.100 c1c2c(cc(c1F)Cl)N=NC2 PB33233 [0,2,0,0,0,0|2,0,0]=4 907 B12R2.100 c1c2c(cc(c1F)F)N=NC2 AB55803 [0,2,0,0,0,0|2,0,0]=4 908 B12R2.100 c1c2c(cc(c1F)O)N=NC2 MB09014 [0,2,0,0,0,0|2,0,0]=4 909 B12R2.100 c1c2c(cc(c1I)O)N=NC2 MB15048 [0,2,0,0,0,0|2,0,0]=4 910 B12R2.100 c1c2c(cc(c1N)Cl)N=NC2 MB06481 [0,2,0,0,0,0|2,0,0]=4 911 B12R2.100 c1c2c(cc(c1N)F)N=NC2 MB07129 [0,2,0,0,0,0|2,0,0]=4 912 B12R2.100 c1c2c(cc(c1N)N)N=NC2 MB00300 [0,2,0,0,0,0|2,0,0]=4 913 B12R2.100 c1c2c(cc(c1O)Br)N=NC2 PB18177 [0,2,0,0,0,0|2,0,0]=4 914 B12R2.100 c1c2c(cc(c1O)Cl)N=NC2 PB37964 [0,2,0,0,0,0|2,0,0]=4 915 B12R2.246 C1=C2C(=NC=N2)C(=CC1F)Br MB14597 [0,2,0,0,0,0|1,0,1]=4 916 B12R2.246 Cc1cc(c2c(c1)N=CC2)C AB31499 [0,2,0,0,0,0|1,0,0]=3 917 B12R2.246 Cc1cc(c2c(c1)N=NC2)C MB04854 [0,2,0,0,0,0|2,0,0]=4 918 B12R2.246 Cc1cc(cc2c1occ2)Br MB10399 [0,2,0,0,0,0|1,1,0]=4 919 B12R2.246 Cc1cc2ccoc2c(c1)Br MB10395 [0,2,0,0,0,0|1,1,0]=4 920 B12R2.246 c1c(cc(c2=CCN=c21)Br)Br AB30634 [0,2,0,0,0,0|1,0,1]=4 921 B12R2.246 c1c(cc(c2=CCN=c21)Br)N AB13422 [0,2,0,0,0,0|1,0,1]=4 922 B12R2.246 c1c(cc(c2=CCN=c21)Br)O AB13574 [0,2,0,0,0,0|1,0,1]=4 923 B12R2.246 c1c(cc(c2=CCN=c21)Cl)Cl PB23331 [0,2,0,0,0,0|1,0,1]=4 924 B12R2.246 c1c(cc(c2=CCN=c21)O)Br AB31563 [0,2,0,0,0,0|1,0,1]=4 925 B12R2.246 c1c(cc(c2=NCC=c21)F)Br PB10286 [0,2,0,0,0,0|1,0,1]=4 926 B12R2.246 c1c(cc(c2=NCC=c21)F)F MB01671 [0,2,0,0,0,0|1,0,1]=4 927 B12R2.246 c1c(cc(c2=NCC=c21)F)N PB19319 [0,2,0,0,0,0|1,0,1]=4 928 B12R2.246 c1c(cc2=NCC=c2c1N)Br AB13421 [0,2,0,0,0,0|1,0,1]=4 929 B12R2.246 c1cn2cc(cc(c2n1)N)Br PB26358 [0,2,0,0,0,0|2,0,0]=4 930 B12R2.246 c1coc2c1cc(cc2Br)Br MB10026 [0,2,0,0,0,0|1,1,0]=4 931 B12R2.246 c1coc2c1cc(cc2Br)Cl MB06992 [0,2,0,0,0,0|1,1,0]=4 932 B12R2.246 c1coc2c1cc(cc2Br)F MB06968 [0,2,0,0,0,0|1,1,0]=4 933 B12R2.246 c1coc2c1cc(cc2Br)O MB10400 [0,2,0,0,0,0|1,1,0]=4 934 B12R2.246 c1coc2c1cc(cc2Cl)Br MB10408 [0,2,0,0,0,0|1,1,0]=4 935 B12R2.246 c1coc2c1cc(cc2F)Br MB06987 [0,2,0,0,0,0|1,1,0]=4 936 B12R2.246 c1coc2c1cc(cc2N)Br MB10410 [0,2,0,0,0,0|1,1,0]=4 937 B12R2.246 c1coc2c1cc(cc2O)F AB31653 [0,2,0,0,0,0|1,1,0]=4 938 B12R2.246 c1csc2c1c(cc(n2)Cl)Cl AB56047 [0,2,0,0,0,0|2,0,0]=4 939 B12R2.246 c1csc2c1c(cc(n2)O)O AB56046 [0,2,0,0,0,0|2,0,0]=4 940 B12R2.246 c1csc2c1c(nc(c2)N)Br AB85283 [0,2,0,0,0,0|2,0,0]=4 941 B12R2.246 c1csc2c1nc(cc2Cl)Cl PB19055 [0,2,0,0,0,0|2,0,0]=4 942 B12R2.246 c1csc2c1nc(cc2O)O AB43121 [0,2,0,0,0,0|2,0,0]=4 943 B12R2.246 c1nc2c(s1)nc(nc2Cl)Cl PB32745 [0,2,0,0,0,0|2,0,0]=4 944 B12R2.221 C1=CN=C2C1C(=CC=C2Br)F PB32352 [0,2,0,0,0,0|1,0,1]=4 945 B12R2.221 C1=CN=C2C1C(=CC=C2F)F MB01667 [0,2,0,0,0,0|1,0,1]=4 946 B12R2.221 c1cc(c2c(c1Cl)N=NC2)Br MB14966 [0,2,0,0,0,0|2,0,0]=4 947 B12R2.221 c1cc(c2c(c1F)N=NC2)Br MB14970 [0,2,0,0,0,0|2,0,0]=4 948 B12R2.221 c1cc(c2c(c1F)cco2)Br MB06970 [0,2,0,0,0,0|1,1,0]=4 949 B12R2.221 c1cc(c2c(c1N)N=NC2)Br PB30041 [0,2,0,0,0,0|2,0,0]=4 950 B12R2.221 c1cc(c2ccoc2c1Cl)Br MB10392 [0,2,0,0,0,0|1,1,0]=4 951 B12R2.221 c1cc(c2ccoc2c1F)Br MB10389 [0,2,0,0,0,0|1,1,0]=4 952 B12R2.221 c1cc(c2ccoc2c1N)Br MB08877 [0,2,0,0,0,0|1,1,0]=4 953 B12R2.315 C1=CC2C(=NC=N2)C(=C1)C=O PB23838 [0,2,0,0,0,0|1,0,1]=4 954 B12R2.315 COC1=C2C(=CC=N2)C=CC1 AB02030 [0,2,0,0,0,0|1,0,1]=4 955 B12R2.315 COC1=C2C=CN=C2C=CC1 PB19861 [0,2,0,0,0,0|1,0,1]=4 956 B12R2.315 COc1c2c(ccn1)N=CC2 PB32653 [0,2,0,0,0,0|2,0,0]=4 957 B12R2.315 c1cc(c2c(c1)N=CC2)C#N AB04035 [0,2,0,0,0,0|1,0,0]=3 958 B12R2.315 c1cc(c2c(c1)N=CC2)C=O AB09519 [0,2,0,0,0,0|1,0,0]=3 959 B12R2.315 c1cc(c2c(c1)N=CC2)CN AB21262 [0,2,0,0,0,0|1,0,0]=3 960 B12R2.315 c1cc(c2c(c1)N=CC2)CO AB09515 [0,2,0,0,0,0|1,0,0]=3 961 B12R2.315 c1cc(c2c(c1)N=NC2)C#N PB29626 [0,2,0,0,0,0|2,0,0]=4 962 B12R2.315 c1cc(c2c(c1)N=NC2)C=O PB12386 [0,2,0,0,0,0|2,0,0]=4 963 B12R2.315 c1cc(c2c(c1)N=NC2)CCl AB58155 [0,2,0,0,0,0|2,0,0]=4 964 B12R2.315 c1cc(c2c(c1)N=NC2)CN PB29783 [0,2,0,0,0,0|2,0,0]=4 965 B12R2.315 c1cc(c2c(c1)N=NC2)CO PB16337 [0,2,0,0,0,0|2,0,0]=4 966 B12R2.315 c1cc(c2ccoc2c1)C#N MB08822 [0,2,0,0,0,0|1,1,0]=4 967 B12R2.315 c1cc(c2ccoc2c1)C=O MB08826 [0,2,0,0,0,0|1,1,0]=4 968 B12R2.315 c1cc(c2ccoc2c1)CO MB08830 [0,2,0,0,0,0|1,1,0]=4 969 B12R2.315 c1cc(c2nccn2c1)C#N PB23788 [0,2,0,0,0,0|2,0,0]=4 970 B12R2.315 c1cc(c2nccn2c1)C=O PB17375 [0,2,0,0,0,0|2,0,0]=4 971 B12R2.315 c1cc(c2nccn2c1)CN AB61210 [0,2,0,0,0,0|2,0,0]=4 972 B12R2.315 c1cc(c2nccn2c1)CO PB25508 [0,2,0,0,0,0|2,0,0]=4 973 B12R2.315 c1cc(n2ccnc2c1)C=O AB61220 [0,2,0,0,0,0|2,0,0]=4 974 B12R2.315 c1cc(n2ccnc2c1)CCl AB66625 [0,2,0,0,0,0|2,0,0]=4 975 B12R2.315 c1cc(n2ccnc2c1)CN AB61224 [0,2,0,0,0,0|2,0,0]=4 976 B12R2.315 c1cc2ccnn2c(c1)C=O AB28423 [0,2,0,0,0,0|2,0,0]=4 977 B12R2.315 c1cc2ccnn2c(c1)CN AB28982 [0,2,0,0,0,0|2,0,0]=4 978 B12R2.315 c1cc2ccnn2c(c1)CO AB28976 [0,2,0,0,0,0|2,0,0]=4 979 B12R2.315 c1cc2ccsc2c(c1)C=O MB06402 [0,2,0,0,0,0|1,0,0]=3