0 B12R2.18 CC1=NC2=C(=C1Br)C=CC=N2 PB22703 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.18 CC1=NC2=C(=C1Cl)C=CC=C2 AB56055 [0,0,0,0,0,0|2,0,1]=3 2 B12R2.18 CC1=NC2=C(=C1I)C=CC=N2 PB38950 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,0,0,0,0,0|3,0,0]=3 4 B12R2.18 Cc1c(c2ncccn2n1)Br AB56072 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.18 Cn1c(c2ccccc2n1)Br PB35997 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.18 Cn1c(c2ccccc2n1)I PB16519 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.18 Cn1c2ccccc2nc1Cl AB07066 [0,0,0,0,0,0|3,0,0]=3 9 B11R2.1 C1=CC2C(=NC=C2Br)C=C1 PB10416 [1,0,0,0,0,0|2,0,1]=4 10 B11R2.1 C1=CC2C(=NC=C2O)C=C1 AB12538 [1,0,0,0,0,0|2,0,1]=4 11 B11R2.1 CC1=NN=C2=C1C=CC=C2 PB32213 [1,0,0,0,0,0|2,0,1]=4 12 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.1 CN1CCc2c1cccc2 MB02030 [1,0,0,0,0,0|2,0,1]=4 14 B11R2.1 Cn1c2ccccc2cn1 PB18505 [1,0,0,0,0,0|3,0,0]=4 15 B11R2.1 Cn1ccc2c1nccc2 AB51139 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 c1cc2c(c(cs2)Br)nc1 PB28335 [1,0,0,0,0,0|2,1,0]=4 17 B11R2.1 c1cc2c(c(no2)N)nc1 PB21304 [1,0,0,0,0,0|3,0,0]=4 18 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [1,0,0,0,0,0|2,0,1]=4 19 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [1,0,0,0,0,0|1,0,1]=3 20 B11R2.1 c1ccc2c(c1)C(=O)N=N2 MB00163 [1,0,0,0,0,0|3,0,0]=4 21 B11R2.1 c1ccc2c(c1)C(CO2)N AB27757 [1,0,0,0,0,0|1,0,2]=4 22 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.1 c1ccc2c(c1)c(co2)Br MB01644 [1,0,0,0,0,0|1,0,0]=2 24 B11R2.1 c1ccc2c(c1)c(no2)Cl MB02698 [1,0,0,0,0,0|2,0,0]=3 25 B11R2.1 c1ccn2c(c1)c(cn2)Br AB26764 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.1 c1ccn2c(c1)c(cn2)N AB28918 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 c1ccn2c(c1)ncc2Br PB14077 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.1 c1ccn2c(c1)ncc2I AB28899 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 c1ccn2c(c1)ncc2N AB26722 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.10 C1=CC2C=C(N=C2C=C1)I MB08792 [1,0,0,0,0,0|2,0,1]=4 31 B11R2.10 CC1=NC2=C(=C1)C=CC=N2 PB17562 [1,0,0,0,0,0|2,0,1]=4 32 B11R2.10 CC1=NC2=C(=C1)C=CN=C2 PB23513 [1,0,0,0,0,0|2,0,1]=4 33 B11R2.10 CC1=NC2=C(=C1)C=NC=C2 PB34737 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.10 CC1=NC2=C(=N1)C=CC=C2 AB00442 [1,0,0,0,0,0|2,0,1]=4 35 B11R2.10 Cc1cc2ncccn2n1 AB44285 [1,0,0,0,0,0|3,0,0]=4 36 B11R2.10 Cc1cn2ccccc2n1 MB02386 [1,0,0,0,0,0|2,0,0]=3 37 B11R2.10 Cc1nc2c(o1)cccn2 AB21689 [1,0,0,0,0,0|2,0,0]=3 38 B11R2.10 Cn1cc2ccccc2n1 PB15684 [1,0,0,0,0,0|2,0,0]=3 39 B11R2.10 c1cc2c(nc1)nc(o2)Cl AB63474 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.10 c1cc2c(nc1)nc(o2)N AB63475 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.10 c1cc2c(nc1)oc(n2)S AB65959 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.10 c1ccc2c(c1)CC(=O)N2 AB00523 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.10 c1ccc2c(c1)cc(o2)Br MB02457 [1,0,0,0,0,0|1,0,0]=2 44 B11R2.10 c1ccc2c(c1)nc(o2)Cl AB00524 [1,0,0,0,0,0|2,0,0]=3 45 B11R2.10 c1ccc2c(c1)nc(s2)Cl AB00527 [1,0,0,0,0,0|2,1,0]=4 46 B11R2.10 c1ccn2c(c1)cc(n2)Cl AB28897 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.10 c1cncc2c1nc(o2)S AB65956 [1,0,0,0,0,0|3,0,0]=4 48 B11R2.10 c1cncc2c1oc(n2)S AB65952 [1,0,0,0,0,0|3,0,0]=4 49 B13R2.45 CC1=C(N=C2=C1C=CC=C2)C#N AB09646 [0,1,0,0,0,0|1,0,2]=4 50 B13R2.45 CC1=C(N=C2=C1C=CC=C2)C=O AB07796 [0,1,0,0,0,0|1,0,2]=4 51 B13R2.45 Cn1c2ccccc2cc1CO AB18955 [0,1,0,0,0,0|2,0,0]=3 52 B13R2.45 Cn1c2ccccc2nc1CCl CB10371 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.45 Cn1c2ccccc2nc1CN AB06071 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.135 CC1=NC2=C(=C1C#N)C=CC=C2 AB09157 [0,1,0,0,0,0|1,0,2]=4 55 B13R2.135 Cc1c(c2ccccc2s1)CCl AB16608 [0,1,0,0,0,0|0,1,0]=2 56 B13R2.135 Cc1c(c2ncccn2n1)CO AB56007 [0,1,0,0,0,0|3,0,0]=4 57 B13R2.135 Cc1c(n2ccccc2n1)C=O AB11614 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.135 Cc1c(n2ccccc2n1)CN AB28985 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.135 Cn1c(c2ccccc2n1)CO PB14515 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.135 c1ccc2c(c1)C(C(=O)N2)CN AB28484 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.135 c1ccc2c(c1)c(c(s2)N)C#N MB01236 [0,1,0,0,0,0|1,1,1]=4 62 B13R2.359 CC1(c2ccccc2NC1=O)C MB00789 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.3028 CC1C(=c2cc(cnc2=N1)Br)C AB70710 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.3028 CC1Cc2ccc(cc2C1=O)F MB00358 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.3028 CN1Cc2ccc(cc2C1=O)N PB22663 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.3028 CN1c2cc(ccc2CC1=O)N PB27060 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.3028 Cc1c(n2cc(ccc2n1)Br)C MB09753 [0,1,0,0,0,0|2,0,0]=3 68 B13R2.3028 Cc1c2cc(ccc2nn1C)Br PB20698 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.3028 Cc1c2cc(ccc2nn1C)I PB16701 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.3028 Cc1c2cc(ccc2nn1C)N PB31866 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.3028 Cn1c(c2cc(ccc2n1)Br)Cl MB19852 [0,1,0,0,0,0|3,0,0]=4 72 B13R2.4825 CN1Cc2c(cccc2N)C1=O PB35161 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.4825 CN1c2cccc(c2CC1=O)Br PB19105 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.4825 Cc1c(nn2c1nccc2Cl)C AB65825 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.4825 Cc1c(nn2c1nccc2O)C AB65822 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.4825 Cc1c2cccc(c2nn1C)Br PB34686 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.4825 c1cc2c(c(c1)Br)NC(=O)C2=O AB07072 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.4825 c1cc2c(c(c1)Cl)NC(=O)C2=O AB01335 [0,1,0,0,0,0|3,0,0]=4 79 B13R2.4825 c1cc2c(c(c1)F)NC(=O)C2=O AB09245 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.4825 c1cc2c(c(c1)I)NC(=O)C2=O MB01744 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.4856 CN1Cc2cccc(c2C1=O)N PB33127 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.4856 Cc1c2c(cccc2Br)nn1C PB28372 [0,1,0,0,0,0|2,0,0]=3 83 B13R2.4856 c1cc2c(c(c1)Br)C(=O)C(=O)N2 AB15602 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.4856 c1cc2c(c(c1)I)C(=O)C(=O)N2 MB02863 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.5190 CN1Cc2cc(ccc2C1=O)N PB27124 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.5190 CN1c2ccc(cc2CC1=O)N PB12659 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.5190 Cc1c(n2ccc(cc2n1)Br)C MB09766 [0,1,0,0,0,0|2,0,0]=3 88 B13R2.5190 Cc1c2ccc(cc2nn1C)Br PB13460 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.5190 Cc1c2ccc(cc2nn1C)I PB28668 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.5190 Cc1c2ccc(cc2nn1C)N PB26443 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.5190 Cn1c(c2ccc(cc2n1)Br)Cl MB19848 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.5190 c1cc2c(cc1F)NC(=O)C2=O AB15604 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.5190 c1cc2c(cc1I)NC(=O)C2=O MB02172 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.36 B(C(=C)c1ccccc1)(O)O AB08051 [0,0,1,0,0,0|2,0,1]=4 95 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N AB02597 [0,0,1,0,0,0|2,0,1]=4 96 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N AB00920 [0,0,1,0,0,0|2,0,1]=4 97 B11R1.40 CC(CN)Oc1ccccc1 AB03575 [0,0,1,0,0,0|1,0,2]=4 98 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,1,0,0,0|3,0,0]=4 99 B11R1.40 c1ccc(cc1)CC(=O)C=O AB50241 [0,0,1,0,0,0|3,0,0]=4 100 B11R1.41 CCOc1c(cccn1)C=O AB30394 [0,0,1,0,0,0|2,0,1]=4 101 B11R1.41 COc1ccccc1CC=O AB02842 [0,0,1,0,0,0|3,0,0]=4 102 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,0,1,0,0,0|3,0,0]=4 104 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,0,1,0,0,0|2,0,0]=3 105 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,0,1,0,0,0|3,0,0]=4 106 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,0,1,0,0,0|3,0,0]=4 107 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,0,1,0,0,0|3,0,0]=4 108 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,0,1,0,0,0|3,0,0]=4 109 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,0,1,0,0,0|2,0,0]=3 110 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.222 C\C(=N/N)\c1ccccc1O AB84931 [0,0,1,0,0,0|2,0,0]=3 112 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,0,1,0,0,0|3,0,0]=4 113 B11R1.222 c1ccc(c(c1)C(=O)C=O)Cl AB55316 [0,0,1,0,0,0|3,0,0]=4 114 B11R1.222 c1ccc(c(c1)C(=O)C=O)F AB49795 [0,0,1,0,0,0|3,0,0]=4 115 B13R2.32 Cc1cnc2ccccc2c1Cl AB50477 [0,0,0,0,0,1|2,0,0]=3 116 B13R2.32 Cc1cnc2ccccc2c1O AB50475 [0,0,0,0,0,1|2,0,0]=3 117 B13R2.32 c1ccc2c(c1)ccc(c2Br)N MB00604 [0,0,0,0,0,1|3,0,0]=4 118 B13R2.32 c1ccc2c(c1)ccc(c2F)O MB69403 [0,0,0,0,0,1|3,0,0]=4 119 B13R2.32 c1ccc2c(c1)ccc(c2O)F MB04146 [0,0,0,0,0,1|3,0,0]=4 120 B13R2.32 c1ccc2c(c1)cnc(c2Br)N MB00823 [0,0,0,0,0,1|3,0,0]=4 121 B13R2.328 CC1=NC(=O)C2=C(=C1)C=CC=C2 MB02879 [0,0,0,0,0,1|2,0,1]=4 122 B13R2.328 CC1CC(=O)Nc2c1cccc2 MB08925 [0,0,0,0,0,1|2,0,1]=4 123 B13R2.328 CN1CC(=O)Nc2c1cccc2 MB12301 [0,0,0,0,0,1|3,0,0]=4 124 B13R2.328 Cc1cc(c2ccccc2n1)N AB00806 [0,0,0,0,0,1|2,0,0]=3 125 B13R2.328 Cc1cc(nc2c1cccc2)N AB21178 [0,0,0,0,0,1|2,0,0]=3 126 B13R2.328 Cc1cc(nc2c1cccc2)N AB42119 [0,0,0,0,0,1|2,0,0]=3 127 B13R2.328 Cc1nc2ccccc2c(n1)N AB05254 [0,0,0,0,0,1|2,0,0]=3 128 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)Cl MB03587 [0,0,0,0,0,1|3,0,0]=4 129 B13R2.328 c1ccc2=NC(=O)CC(=c2c1)N MB03581 [0,0,0,0,0,1|3,0,0]=4 130 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,0,0,0,0,1|3,0,0]=4 131 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(n2)N AB10668 [0,0,0,0,0,1|3,0,0]=4 132 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N MB00371 [0,0,0,0,0,1|2,0,0]=3 133 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N MB06581 [0,0,0,0,0,1|3,0,0]=4 134 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Br AB62586 [0,0,0,0,0,1|3,0,0]=4 135 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl AB01396 [0,0,0,0,0,1|3,0,0]=4 136 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N MB06583 [0,0,0,0,0,1|3,0,0]=4 137 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br MB01043 [0,0,0,0,0,1|3,0,0]=4 138 B13R2.328 c1ccc2c(c1)c(nc(n2)Br)Br MB08185 [0,0,0,0,0,1|3,0,0]=4 139 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)Cl AB03291 [0,0,0,0,0,1|3,0,0]=4 140 B13R2.328 c1ccc2c(c1)c(nc(n2)Cl)N AB43584 [0,0,0,0,0,1|3,0,0]=4 141 B13R2.328 c1ccc2c(c1)c(nc(n2)N)Cl AB60762 [0,0,0,0,0,1|3,0,0]=4 142 B13R2.328 c1ccc2c(c1)cc(nc2Br)N CB10230 [0,0,0,0,0,1|3,0,0]=4 143 B13R2.328 c1ccc2c(c1)cc(nc2Cl)Cl PB17073 [0,0,0,0,0,1|3,0,0]=4 144 B13R2.369 CC1C(=O)Nc2c(cccn2)O1 AB65764 [0,0,0,0,0,1|2,0,1]=4 145 B13R2.369 CC1C(=O)Nc2ccccc2N1 PB10143 [0,0,0,0,0,1|2,0,1]=4 146 B13R2.369 CC1Cc2ccccc2NC1=O MB08929 [0,0,0,0,0,1|2,0,1]=4 147 B13R2.369 Cc1c(=O)oc2ccccc2n1 AB09692 [0,0,0,0,0,1|1,0,0]=2 148 B13R2.369 Cc1cc2ccccc2nc1N AB05768 [0,0,0,0,0,1|2,0,0]=3 149 B13R2.369 c1ccc2=NC(=O)C(=O)N=c2c1 AB06251 [0,0,0,0,0,1|3,0,0]=4 150 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)Br PB24640 [0,0,0,0,0,1|3,0,0]=4 151 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br PB20265 [0,0,0,0,0,1|3,0,0]=4 152 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)Cl AB00795 [0,0,0,0,0,1|3,0,0]=4 153 B13R2.369 c1ccc2c(c1)nc(c(n2)Cl)N PB33886 [0,0,0,0,0,1|3,0,0]=4 154 B13R2.369 c1ccc2cc(c(cc2c1)Br)Br PB10042 [0,0,0,0,0,1|3,0,0]=4 155 B13R2.369 c1ccc2cc(c(cc2c1)Br)I CB10892 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [1,0,1,0,0,0|1,0,1]=4 158 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,0,1,0,0,0|1,0,1]=4 159 B10R1.4 Cc1ccccc1CC=O AB11813 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.20 COc1c(cccn1)C=O PB26137 [1,0,1,0,0,0|2,0,0]=4 161 B10R1.20 COc1ccccc1C#N AB00156 [1,0,1,0,0,0|1,0,1]=4 162 B10R1.20 COc1ccccc1C=O AB00311 [1,0,1,0,0,0|1,0,0]=3 163 B10R1.20 COc1cccnc1C=O AB22246 [1,0,1,0,0,0|2,0,0]=4 164 B10R1.20 COc1cccnc1OC AB13430 [1,0,1,0,0,0|2,0,0]=4 165 B10R1.20 COc1ccncc1C=O AB17569 [1,0,1,0,0,0|2,0,0]=4 166 B10R1.20 COc1cnccc1C=O AB17541 [1,0,1,0,0,0|2,0,0]=4 167 B10R1.61 CC(C)c1c(cccn1)O MB22687 [1,0,1,0,0,0|1,0,1]=4 168 B10R1.61 CC(C)c1ccncc1O MB22678 [1,0,1,0,0,0|1,0,1]=4 169 B10R1.61 CC(C)c1cnccc1O MB22684 [1,0,1,0,0,0|1,0,1]=4 170 B10R1.61 CN(C)c1c(cccn1)O MB24991 [1,0,1,0,0,0|2,0,0]=4 171 B10R1.61 CN(C)c1ccccc1O MB08302 [1,0,1,0,0,0|1,0,0]=3 172 B10R1.61 CN(C)c1ccncc1O MB24982 [1,0,1,0,0,0|2,0,0]=4 173 B10R1.61 CN(C)c1cnccc1O MB24989 [1,0,1,0,0,0|2,0,0]=4 174 B10R1.61 c1ccc(c(c1)C(=N)N)O AB55085 [1,0,1,0,0,0|2,0,0]=4 175 B10R2.7 c1cc2c(cco2)nc1 PB26741 [2,0,0,0,0,0|1,0,0]=3 176 B10R2.7 c1cc2c(ccs2)nc1 PB25371 [2,0,0,0,0,0|1,1,0]=4 177 B10R2.7 c1ccn2c(c1)ccn2 AB48944 [2,0,0,0,0,0|2,0,0]=4 178 B10R2.7 c1ccn2cccc2c1 AB01491 [2,0,0,0,0,0|2,0,0]=4 179 B10R2.7 c1cncc2c1ccs2 MB02036 [2,0,0,0,0,0|1,1,0]=4 180 B12R1.34 CN(c1ccccc1)C(=O)CO AB13884 [0,1,1,0,0,0|1,0,1]=4 181 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Br CB10378 [0,1,1,0,0,0|2,0,0]=4 182 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)Cl AB24958 [0,1,1,0,0,0|2,0,0]=4 183 B12R1.124 c1ccc(c(c1)C(=O)C(=O)O)F AB28722 [0,1,1,0,0,0|2,0,0]=4 184 B12R1.225 CC(c1cccc(c1)Cl)C(=O)O AB14392 [0,1,1,0,0,0|1,0,1]=4 185 B12R1.253 CC(c1ccccc1)(C(=O)O)N AB04677 [0,1,1,0,0,0|1,0,1]=4 186 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)N AB33357 [0,1,1,0,0,0|1,0,1]=4 187 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O AB02735 [0,1,1,0,0,0|1,0,1]=4 188 B12R1.253 C[C@](c1ccccc1)(C(=O)O)N AB33354 [0,1,1,0,0,0|1,0,1]=4 189 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O AB02737 [0,1,1,0,0,0|1,0,1]=4 190 B12R1.478 CNC(c1ccccc1)C(=O)O AB08751 [0,1,1,0,0,0|1,0,1]=4 191 B12R1.478 c1ccc(cc1)C(CN)C(=O)O AB11929 [0,1,1,0,0,0|1,0,1]=4 192 B12R1.478 c1ccc(cc1)[C@H](CN)C(=O)O AB62462 [0,1,1,0,0,0|1,0,1]=4 193 B12R1.75 CC(=O)Nc1ccccc1C=O AB29065 [0,1,1,0,0,0|2,0,0]=4 194 B12R1.268 CCOc1cc(ccc1OC)Br CB11416 [0,1,1,0,0,0|1,0,1]=4 195 B12R1.24 CNC(=O)c1cccc(c1O)Br MB35529 [0,1,1,0,0,0|2,0,0]=4 196 B12R1.24 CNC(=O)c1cccc(c1O)F MB30084 [0,1,1,0,0,0|2,0,0]=4 197 B12R1.24 CNC(=O)c1cccc(c1O)I MB30159 [0,1,1,0,0,0|2,0,0]=4 198 B12R1.24 CNC(=O)c1cccc(c1O)N MB25677 [0,1,1,0,0,0|2,0,0]=4 199 B12R1.24 COC(=O)c1cccc(c1O)N AB53733 [0,1,1,0,0,0|2,0,0]=4 200 B12R1.24 Cc1cccc(c1O)C(=O)NC MB09397 [0,1,1,0,0,0|2,0,0]=4 201 B12R1.354 CNC(=O)c1cc(ccc1O)Br MB06709 [0,1,1,0,0,0|2,0,0]=4 202 B12R1.354 CNC(=O)c1cc(ccc1O)Cl MB09405 [0,1,1,0,0,0|2,0,0]=4 203 B12R1.354 CNC(=O)c1cc(ccc1O)F MB25156 [0,1,1,0,0,0|2,0,0]=4 204 B12R1.354 CNC(=O)c1cc(ccc1O)I MB25157 [0,1,1,0,0,0|2,0,0]=4 205 B12R1.354 CNC(=O)c1cc(ccc1O)N MB25165 [0,1,1,0,0,0|2,0,0]=4 206 B12R1.354 Cc1ccc(c(c1)C(=O)NC)O MB09387 [0,1,1,0,0,0|2,0,0]=4 207 B12R1.1703 CNC(=O)c1ccc(cc1O)Br MB14847 [0,1,1,0,0,0|2,0,0]=4 208 B12R1.1703 CNC(=O)c1ccc(cc1O)Cl MB09389 [0,1,1,0,0,0|2,0,0]=4 209 B12R1.1703 CNC(=O)c1ccc(cc1O)F MB25343 [0,1,1,0,0,0|2,0,0]=4 210 B12R1.1703 CNC(=O)c1ccc(cc1O)I MB25350 [0,1,1,0,0,0|2,0,0]=4 211 B12R1.1703 CNC(=O)c1ccc(cc1O)N MB25357 [0,1,1,0,0,0|2,0,0]=4 212 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NC MB09401 [0,1,1,0,0,0|2,0,0]=4 213 B12R1.3441 CNC(=O)c1c(cccc1Br)O MB25113 [0,1,1,0,0,0|2,0,0]=4 214 B12R1.3441 CNC(=O)c1c(cccc1Cl)O MB25117 [0,1,1,0,0,0|2,0,0]=4 215 B12R1.3441 CNC(=O)c1c(cccc1F)O MB25092 [0,1,1,0,0,0|2,0,0]=4 216 B12R1.3441 CNC(=O)c1c(cccc1I)O MB25096 [0,1,1,0,0,0|2,0,0]=4 217 B12R1.3441 CNC(=O)c1c(cccc1O)N MB25069 [0,1,1,0,0,0|2,0,0]=4 218 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,1,1,0,0,0|2,0,0]=4 219 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,1,1,0,0,0|2,0,0]=4 220 B12R2.1 C1=CC2C(=NC=C2CN)C=C1 AB09355 [1,1,0,0,0,0|1,0,1]=4 221 B12R2.1 c1ccc2c(c1)C(CO2)CN AB56739 [1,1,0,0,0,0|0,0,2]=4 222 B12R2.1 c1ccc2c(c1)c(co2)C=O MB02776 [1,1,0,0,0,0|0,0,1]=3 223 B12R2.1 c1ccn2c(c1)c(cn2)CN AB28979 [1,1,0,0,0,0|2,0,0]=4 224 B12R2.1 c1ccn2c(c1)ncc2CCl AB23751 [1,1,0,0,0,0|2,0,0]=4 225 B12R2.1 c1ccn2c(c1)ncc2CN AB28479 [1,1,0,0,0,0|2,0,0]=4 226 B12R2.132 CC1=c2cc(ccc2=NC1)Br AB17162 [1,1,0,0,0,0|1,0,1]=4 227 B12R2.132 Cc1c2cc(ccc2on1)Br MB06428 [1,1,0,0,0,0|1,0,0]=3 228 B12R2.132 Cc1coc2c1cc(cc2)Br MB07839 [1,1,0,0,0,0|0,0,0]=2 229 B12R2.132 Cn1ccc2c1cc(cc2)N AB55988 [1,1,0,0,0,0|2,0,0]=4 230 B12R2.132 c1cc2c(cc1Br)c(no2)Cl AB65566 [1,1,0,0,0,0|2,0,0]=4 231 B12R2.132 c1cc2c(cc1Br)c(no2)N MB07795 [1,1,0,0,0,0|2,0,0]=4 232 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AB03274 [1,1,0,0,0,0|1,0,1]=4 233 B12R2.132 c1cc2c(cc1Cl)c(co2)Br AB65773 [1,1,0,0,0,0|1,0,0]=3 234 B12R2.132 c1cc2c(cc1Cl)c(cs2)Br MB14444 [1,1,0,0,0,0|1,1,0]=4 235 B12R2.132 c1cc2c(cc1Cl)c(no2)Cl AB66315 [1,1,0,0,0,0|2,0,0]=4 236 B12R2.132 c1cc2c(cc1F)c(no2)Cl AB64624 [1,1,0,0,0,0|2,0,0]=4 237 B12R2.196 CC1=c2cccc(c2=NC1)Cl AB44105 [1,1,0,0,0,0|1,0,1]=4 238 B12R2.196 Cc1csc2c1ccnc2Cl AB63934 [1,1,0,0,0,0|1,1,0]=4 239 B12R2.196 Cc1csc2c1ccnc2O AB63938 [1,1,0,0,0,0|1,1,0]=4 240 B12R2.196 Cc1csc2c1nccc2Cl PB28684 [1,1,0,0,0,0|1,1,0]=4 241 B12R2.196 Cn1ccc2c1cccc2N AB43235 [1,1,0,0,0,0|2,0,0]=4 242 B12R2.196 c1cc2c(c(c1)F)OCC2=O MB06387 [1,1,0,0,0,0|1,0,1]=4 243 B12R2.203 Cc1coc2c1c(ncn2)N AB65972 [1,1,0,0,0,0|2,0,0]=4 244 B12R2.612 Cc1c2ccc(cc2sn1)Cl MB04108 [1,1,0,0,0,0|1,1,0]=4 245 B12R2.612 Cc1ccc2c(c1)onc2Cl AB25984 [1,1,0,0,0,0|2,0,0]=4 246 B12R2.612 c1cc2c(cc1Br)OCC2=O AB45183 [1,1,0,0,0,0|1,0,1]=4 247 B12R2.612 c1cc2c(cc1Br)onc2Cl MB11909 [1,1,0,0,0,0|2,0,0]=4 248 B12R2.612 c1cc2c(cc1Br)onc2N MB07663 [1,1,0,0,0,0|2,0,0]=4 249 B12R2.612 c1cc2c(cc1Cl)OCC2=O AB27747 [1,1,0,0,0,0|1,0,1]=4 250 B12R2.612 c1cc2c(cc1Cl)onc2Cl AB25981 [1,1,0,0,0,0|2,0,0]=4 251 B12R2.612 c1cc2c(cc1F)OCC2=O AB51227 [1,1,0,0,0,0|1,0,1]=4 252 B12R2.612 c1cc2c(cc1F)onc2Cl AB71606 [1,1,0,0,0,0|2,0,0]=4 253 B12R2.2028 Cc1c2ccccc2n(n1)N MB14907 [1,1,0,0,0,0|2,0,0]=4 254 B12R2.2028 Cn1cc(c2c1cccc2)Br MB09274 [1,1,0,0,0,0|2,0,0]=4 255 B12R2.32 C1=CC2C=C(N=C2C=C1)CN AB14523 [1,1,0,0,0,0|1,0,1]=4 256 B12R2.32 CCc1nc2c(o1)cccn2 AB63473 [1,1,0,0,0,0|2,0,0]=4 257 B12R2.32 CNc1nc2ccccc2s1 AB01569 [1,1,0,0,0,0|1,1,0]=4 258 B12R2.32 c1ccc2c(c1)cc(o2)C=O CB10104 [1,1,0,0,0,0|0,0,1]=3 259 B12R2.32 c1ccc2c(c1)cc(s2)CN AB13993 [1,1,0,0,0,0|0,1,0]=3 260 B12R2.32 c1ccc2c(c1)nc(o2)CCl AB22415 [1,1,0,0,0,0|1,0,0]=3 261 B12R2.32 c1ccc2c(c1)nc(o2)CN AB16902 [1,1,0,0,0,0|1,0,0]=3 262 B12R2.32 c1ccc2c(c1)nc(o2)NN AB03197 [1,1,0,0,0,0|2,0,0]=4 263 B12R2.32 c1ccc2c(c1)nc(s2)CCl AB22411 [1,1,0,0,0,0|1,1,0]=4 264 B12R2.32 c1ccc2c(c1)nc(s2)CN AB15872 [1,1,0,0,0,0|1,1,0]=4 265 B12R2.32 c1ccn2c(c1)cc(n2)CN AB19631 [1,1,0,0,0,0|2,0,0]=4 266 B12R2.32 c1ccn2c(c1)cc(n2)CN AB48939 [1,1,0,0,0,0|2,0,0]=4 267 B12R2.32 c1ccn2cc(nc2c1)CCl AB05508 [1,1,0,0,0,0|2,0,0]=4 268 B12R2.202 Cc1cc2c(ncnc2o1)O AB63964 [1,1,0,0,0,0|2,0,0]=4 269 B12R2.202 Cc1cc2c(o1)c(ccn2)Cl PB30214 [1,1,0,0,0,0|1,0,0]=3 270 B12R2.202 Cc1cc2c(o1)ccnc2Cl AB63958 [1,1,0,0,0,0|1,0,0]=3 271 B12R2.202 Cc1cc2c(o1)ccnc2O AB63957 [1,1,0,0,0,0|1,0,0]=3 272 B12R2.202 Cc1cc2c(o1)ncnc2Cl AB63965 [1,1,0,0,0,0|2,0,0]=4 273 B12R2.202 Cc1cc2c(s1)c(ccn2)Cl PB11255 [1,1,0,0,0,0|1,1,0]=4 274 B12R2.202 Cc1cc2c(s1)ccnc2Cl AB53964 [1,1,0,0,0,0|1,1,0]=4 275 B12R2.202 Cc1cccc2c1nc(o2)S AB64565 [1,1,0,0,0,0|2,0,0]=4 276 B12R2.202 Cc1cccc2c1oc(n2)S AB66120 [1,1,0,0,0,0|2,0,0]=4 277 B12R2.202 Cc1cccn2c1nc(c2)C AB63390 [1,1,0,0,0,0|2,0,0]=4 278 B12R2.202 Cc1cn2c(n1)cccc2Br MB08766 [1,1,0,0,0,0|2,0,0]=4 279 B12R2.202 Cc1nc2c(cccc2o1)O MB20022 [1,1,0,0,0,0|1,0,0]=3 280 B12R2.202 Cc1nc2c(s1)cccc2Cl MB01603 [1,1,0,0,0,0|1,1,0]=4 281 B12R2.202 Cc1nc2cccc(c2o1)Cl MB20025 [1,1,0,0,0,0|1,0,0]=3 282 B12R2.202 Cn1cc2c(cccc2n1)N PB28070 [1,1,0,0,0,0|2,0,0]=4 283 B12R2.202 Cn1cc2c(n1)cccc2Br PB25224 [1,1,0,0,0,0|2,0,0]=4 284 B12R2.202 Cn1cc2c(n1)cccc2I PB31630 [1,1,0,0,0,0|2,0,0]=4 285 B12R2.202 Cn1cc2cccc(c2n1)Br PB31415 [1,1,0,0,0,0|2,0,0]=4 286 B12R2.202 Cn1cc2cccc(c2n1)I PB25464 [1,1,0,0,0,0|2,0,0]=4 287 B12R2.202 Cn1cc2cccc(c2n1)N PB18621 [1,1,0,0,0,0|2,0,0]=4 288 B12R2.202 c1cc(c2c(c1)nc(o2)S)N AB66126 [1,1,0,0,0,0|2,0,0]=4 289 B12R2.202 c1cc(c2c(c1)oc(n2)S)N AB66123 [1,1,0,0,0,0|2,0,0]=4 290 B12R2.202 c1cc2c(c(c1)Cl)nc(o2)S AB66129 [1,1,0,0,0,0|2,0,0]=4 291 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)N MB01974 [1,1,0,0,0,0|2,0,0]=4 292 B12R2.202 c1cc2c(c(c1)Cl)oc(n2)S AB44916 [1,1,0,0,0,0|2,0,0]=4 293 B12R2.202 c1cc2c(c(c1)F)nc(o2)Cl AB70786 [1,1,0,0,0,0|2,0,0]=4 294 B12R2.202 c1cc2c(c(c1)F)oc(n2)Cl AB70781 [1,1,0,0,0,0|2,0,0]=4 295 B12R2.202 c1cc2c(cc(s2)N)c(c1)Br PB35935 [1,1,0,0,0,0|1,1,0]=4 296 B12R2.202 c1cc2cc(sc2c(c1)Br)N PB11619 [1,1,0,0,0,0|1,1,0]=4 297 B12R2.202 c1cnc2cc(oc2c1Cl)I PB30219 [1,1,0,0,0,0|2,0,0]=4 298 B12R2.606 CC1=NC2=C(=C1)C=C(C=C2)F PB29177 [1,1,0,0,0,0|1,0,1]=4 299 B12R2.606 Cc1cc2cc(ccc2o1)I AB08838 [1,1,0,0,0,0|0,0,0]=2 300 B12R2.606 Cc1ccc2c(c1)nc(o2)Cl AB43172 [1,1,0,0,0,0|2,0,0]=4 301 B12R2.606 Cc1ccc2c(c1)nc(o2)N AB09696 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.606 Cc1ccc2c(c1)nc(o2)S AB45304 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.606 Cc1ccc2c(c1)oc(n2)Cl AB65043 [1,1,0,0,0,0|2,0,0]=4 304 B12R2.606 Cc1ccc2c(c1)oc(n2)S AB03206 [1,1,0,0,0,0|2,0,0]=4 305 B12R2.606 Cc1cn2cc(ccc2n1)Br MB07679 [1,1,0,0,0,0|2,0,0]=4 306 B12R2.606 Cc1nc2c(o1)cc(cn2)Br AB63472 [1,1,0,0,0,0|2,0,0]=4 307 B12R2.606 Cc1nc2c(o1)ccc(n2)Br AB63468 [1,1,0,0,0,0|2,0,0]=4 308 B12R2.606 Cc1nc2cc(cnc2o1)Br AB40955 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.606 Cc1nc2cc(cnc2o1)Cl AB41020 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.606 Cc1nc2ccc(cc2o1)Br AB25987 [1,1,0,0,0,0|1,0,0]=3 311 B12R2.606 Cc1nc2ccc(cc2o1)Cl AB49156 [1,1,0,0,0,0|1,0,0]=3 312 B12R2.606 Cn1cc2cc(ccc2n1)Br PB25227 [1,1,0,0,0,0|2,0,0]=4 313 B12R2.606 Cn1cc2cc(ccc2n1)I PB22596 [1,1,0,0,0,0|2,0,0]=4 314 B12R2.606 Cn1cc2cc(ccc2n1)N PB20057 [1,1,0,0,0,0|2,0,0]=4 315 B12R2.606 Cn1cc2ccc(cc2n1)Br PB22304 [1,1,0,0,0,0|2,0,0]=4 316 B12R2.606 Cn1cc2ccc(cc2n1)I PB25468 [1,1,0,0,0,0|2,0,0]=4 317 B12R2.606 Cn1cc2ccc(cc2n1)N PB18494 [1,1,0,0,0,0|2,0,0]=4 318 B12R2.606 c1cc(cc2c1cc(s2)N)Br PB27099 [1,1,0,0,0,0|1,1,0]=4 319 B12R2.606 c1cc2c(cc1Br)cc(s2)N PB15286 [1,1,0,0,0,0|1,1,0]=4 320 B12R2.606 c1cc2c(cc1Br)nc(o2)Cl AB63671 [1,1,0,0,0,0|2,0,0]=4 321 B12R2.606 c1cc2c(cc1Br)nc(o2)N AB09697 [1,1,0,0,0,0|2,0,0]=4 322 B12R2.606 c1cc2c(cc1Br)oc(n2)Cl AB63667 [1,1,0,0,0,0|2,0,0]=4 323 B12R2.606 c1cc2c(cc1Br)oc(n2)N MB01972 [1,1,0,0,0,0|2,0,0]=4 324 B12R2.606 c1cc2c(cc1Cl)nc(o2)Cl PB26446 [1,1,0,0,0,0|2,0,0]=4 325 B12R2.606 c1cc2c(cc1Cl)nc(o2)S AB04398 [1,1,0,0,0,0|2,0,0]=4 326 B12R2.606 c1cc2c(cc1Cl)oc(n2)Cl AB32054 [1,1,0,0,0,0|2,0,0]=4 327 B12R2.606 c1cc2c(cc1Cl)oc(n2)N AB09701 [1,1,0,0,0,0|2,0,0]=4 328 B12R2.606 c1cc2c(cc1Cl)oc(n2)S AB07270 [1,1,0,0,0,0|2,0,0]=4 329 B12R2.606 c1cc2c(cc1F)nc(o2)Cl AB65045 [1,1,0,0,0,0|2,0,0]=4 330 B12R2.606 c1cc2c(cc1F)nc(o2)N AB09694 [1,1,0,0,0,0|2,0,0]=4 331 B12R2.606 c1cc2c(cc1N)oc(n2)S AB48296 [1,1,0,0,0,0|2,0,0]=4 332 B14R2.92 c1ccc2c(c1)c(=O)c(co2)C=O CB10095 [0,1,0,0,0,1|1,0,1]=4 333 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB09123 [0,1,0,0,0,1|2,0,0]=4 334 B14R2.203 c1ccc2c(c1)ccc(c2CN)O AB42933 [0,1,0,0,0,1|2,0,0]=4 335 B14R2.4513 Cc1ccc2ccc(nc2c1C)C AB45157 [0,1,0,0,0,1|2,0,0]=4 336 B14R2.8038 Cc1ccc2c(ccnc2c1C)Cl AB42065 [0,1,0,0,0,1|2,0,0]=4 337 B14R2.8038 Cc1ccc2c(ccnc2c1C)N AB52076 [0,1,0,0,0,1|2,0,0]=4 338 B14R2.8038 Cc1ccc2c(ccnc2c1C)O AB05733 [0,1,0,0,0,1|2,0,0]=4 339 B14R2.8188 Cc1c(nc2ccccc2c1Cl)C AB50456 [0,1,0,0,0,1|2,0,0]=4 340 B14R2.8188 Cc1c(nc2ccccc2c1O)C AB50455 [0,1,0,0,0,1|2,0,0]=4 341 B14R2.1019 CSc1nc2ccccc2c(n1)Cl AB42159 [0,1,0,0,0,1|2,0,0]=4 342 B14R2.1019 c1ccc2c(c1)c(=O)[nH]c(n2)CN AB09200 [0,1,0,0,0,1|2,0,0]=4 343 B14R2.1019 c1ccc2c(c1)c(nc(n2)CCl)Cl AB42161 [0,1,0,0,0,1|2,0,0]=4 344 B14R2.1146 COc1c2ccccc2nc(n1)Cl AB03287 [0,1,0,0,0,1|2,0,0]=4 345 B14R2.1146 COc1cc(nc2c1cccc2)Cl AB55891 [0,1,0,0,0,1|2,0,0]=4 346 B14R2.1146 COc1cc(nc2c1cccc2)O AB09148 [0,1,0,0,0,1|2,0,0]=4 347 B14R2.1146 Cc1cc(c2ccccc2n1)C#N AB08233 [0,1,0,0,0,1|1,0,1]=4 348 B14R2.1146 Cc1cc(c2ccccc2n1)C=O AB43021 [0,1,0,0,0,1|1,0,1]=4 349 B14R2.1146 Cc1cc(c2ccccc2n1)CCl AB29712 [0,1,0,0,0,1|1,0,0]=3 350 B14R2.1146 Cc1cc(c2ccccc2n1)CN AB17861 [0,1,0,0,0,1|1,0,0]=3 351 B14R2.1146 Cc1cc(c2ccccc2n1)NN AB52136 [0,1,0,0,0,1|2,0,0]=4 352 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)Cl)C AB03219 [0,1,0,0,0,1|2,0,0]=4 353 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)N)C AB49057 [0,1,0,0,0,1|2,0,0]=4 354 B14R2.8045 Cc1cc(c2c(c1)c(ccn2)O)C AB05730 [0,1,0,0,0,1|2,0,0]=4 355 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)Cl AB05684 [0,1,0,0,0,1|2,0,0]=4 356 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)N AB46032 [0,1,0,0,0,1|2,0,0]=4 357 B14R2.8045 Cc1cc(c2cccc(c2n1)Br)O AB06321 [0,1,0,0,0,1|2,0,0]=4 358 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)Cl AB05660 [0,1,0,0,0,1|2,0,0]=4 359 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)N AB10438 [0,1,0,0,0,1|2,0,0]=4 360 B14R2.8045 Cc1cc(c2cccc(c2n1)Cl)O AB03452 [0,1,0,0,0,1|2,0,0]=4 361 B14R2.8045 Cc1cc(c2cccc(c2n1)F)Cl AB05610 [0,1,0,0,0,1|2,0,0]=4 362 B14R2.8045 Cc1cc(c2cccc(c2n1)F)N AB52090 [0,1,0,0,0,1|2,0,0]=4 363 B14R2.8045 Cc1cc(c2cccc(c2n1)F)O AB05637 [0,1,0,0,0,1|2,0,0]=4 364 B14R2.8045 Cc1cccc2c1nc(cc2C)C AB05600 [0,1,0,0,0,1|1,0,0]=3 365 B14R2.8045 Cc1cccc2c1nc(cc2Cl)C AB05627 [0,1,0,0,0,1|2,0,0]=4 366 B14R2.8045 Cc1cccc2c1nc(cc2N)C AB46037 [0,1,0,0,0,1|2,0,0]=4 367 B14R2.8045 Cc1cccc2c1nc(cc2O)C AB03395 [0,1,0,0,0,1|2,0,0]=4 368 B14R2.8045 Cc1cccc2c1nc(nc2O)C AB63500 [0,1,0,0,0,1|2,0,0]=4 369 B14R2.8235 Cc1c2cc(ccc2nc(n1)Cl)Br PB25199 [0,1,0,0,0,1|2,0,0]=4 370 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)Cl AB05644 [0,1,0,0,0,1|2,0,0]=4 371 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)N AB07349 [0,1,0,0,0,1|2,0,0]=4 372 B14R2.8235 Cc1cc(c2cc(ccc2n1)Br)O AB06317 [0,1,0,0,0,1|2,0,0]=4 373 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)Cl AB05640 [0,1,0,0,0,1|2,0,0]=4 374 B14R2.8235 Cc1cc(c2cc(ccc2n1)Cl)N AB52059 [0,1,0,0,0,1|2,0,0]=4 375 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)Cl AB05604 [0,1,0,0,0,1|2,0,0]=4 376 B14R2.8235 Cc1cc(c2cc(ccc2n1)F)N AB23700 [0,1,0,0,0,1|2,0,0]=4 377 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)Cl AB08526 [0,1,0,0,0,1|2,0,0]=4 378 B14R2.8235 Cc1cc(nc2c1cc(cc2)Cl)O AB07942 [0,1,0,0,0,1|2,0,0]=4 379 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)Cl AB13083 [0,1,0,0,0,1|2,0,0]=4 380 B14R2.8235 Cc1cc(nc2c1cc(cc2)F)O AB55923 [0,1,0,0,0,1|2,0,0]=4 381 B14R2.8235 Cc1cc(nc2c1cc(cc2)O)Cl AB06491 [0,1,0,0,0,1|2,0,0]=4 382 B14R2.8235 Cc1cc(nc2c1cc(cc2)O)O AB45126 [0,1,0,0,0,1|2,0,0]=4 383 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)Cl AB05657 [0,1,0,0,0,1|2,0,0]=4 384 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)N AB10434 [0,1,0,0,0,1|2,0,0]=4 385 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)C)O AB05586 [0,1,0,0,0,1|2,0,0]=4 386 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)Cl)C AB06052 [0,1,0,0,0,1|2,0,0]=4 387 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)O)C AB03192 [0,1,0,0,0,1|2,0,0]=4 388 B14R2.8235 Cc1ccc2c(c1)c(nc(n2)C)O AB62870 [0,1,0,0,0,1|2,0,0]=4 389 B14R2.8235 Cc1ccc2cc(cc(c2n1)C)C AB51628 [0,1,0,0,0,1|2,0,0]=4 390 B14R2.8235 Cc1nc2ccc(cc2c(n1)O)Br AB49696 [0,1,0,0,0,1|2,0,0]=4 391 B14R2.8235 Cc1nc2ccc(cc2c(n1)O)F AB63026 [0,1,0,0,0,1|2,0,0]=4 392 B14R2.28480 Cc1cc(c2c(ccnc2c1)Cl)C AB42058 [0,1,0,0,0,1|2,0,0]=4 393 B14R2.28480 Cc1cc(c2c(ccnc2c1)N)C AB52037 [0,1,0,0,0,1|2,0,0]=4 394 B14R2.28480 Cc1cc(c2c(ccnc2c1)O)C AB05722 [0,1,0,0,0,1|2,0,0]=4 395 B14R2.28480 Cc1cccc2c1c(nc(n2)C)O AB63508 [0,1,0,0,0,1|2,0,0]=4 396 B14R2.29365 CC1=c2ccc(cc2=NC(=O)C1)N MB00725 [0,1,0,0,0,1|2,0,0]=4 397 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)Cl AB52376 [0,1,0,0,0,1|2,0,0]=4 398 B14R2.29365 Cc1cc(c2ccc(cc2n1)Br)N AB52077 [0,1,0,0,0,1|2,0,0]=4 399 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)Cl AB05635 [0,1,0,0,0,1|2,0,0]=4 400 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)N AB10426 [0,1,0,0,0,1|2,0,0]=4 401 B14R2.29365 Cc1cc(c2ccc(cc2n1)Cl)O AB05588 [0,1,0,0,0,1|2,0,0]=4 402 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)Cl AB05606 [0,1,0,0,0,1|2,0,0]=4 403 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)N AB52079 [0,1,0,0,0,1|2,0,0]=4 404 B14R2.29365 Cc1cc(c2ccc(cc2n1)F)O AB12584 [0,1,0,0,0,1|2,0,0]=4 405 B14R2.29365 Cc1cc(nc2c1ccc(c2)Cl)C AB05664 [0,1,0,0,0,1|1,0,0]=3 406 B14R2.29365 Cc1ccc2c(c1)nc(cc2Cl)C AB52100 [0,1,0,0,0,1|2,0,0]=4 407 B14R2.29365 Cc1ccc2c(c1)nc(cc2O)C AB09283 [0,1,0,0,0,1|2,0,0]=4 408 B14R2.29365 Cc1ccc2c(c1)nc(nc2O)C AB63494 [0,1,0,0,0,1|2,0,0]=4 409 B14R2.29365 Cc1ccc2c(cc(cc2n1)C)C AB51599 [0,1,0,0,0,1|2,0,0]=4 410 B14R2.29365 Cc1ccc2c(cc(nc2c1)C)N AB10429 [0,1,0,0,0,1|2,0,0]=4 411 B14R2.29365 Cc1nc2cc(ccc2c(n1)O)Cl AB63030 [0,1,0,0,0,1|2,0,0]=4 412 B14R2.29365 Cc1nc2cc(ccc2c(n1)O)F AB63032 [0,1,0,0,0,1|2,0,0]=4 413 B14R2.29496 CC1(CC(=O)c2ccccc2O1)C AB32438 [0,1,0,0,0,1|1,0,1]=4 414 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C AB07062 [0,1,0,0,0,1|1,0,1]=4 415 B14R2.639 CC1(C(=O)Nc2ccccc2O1)C AB64917 [0,1,0,0,0,1|1,0,1]=4 416 B14R2.1128 CCc1cc2ccccc2nc1N AB05805 [0,1,0,0,0,1|2,0,0]=4 417 B14R2.1128 COc1c(nc2ccccc2n1)Cl AB31541 [0,1,0,0,0,1|2,0,0]=4 418 B14R2.1128 c1ccc2c(c1)cc(c(n2)Br)CN AB60208 [0,1,0,0,0,1|2,0,0]=4 419 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)CCl AB22936 [0,1,0,0,0,1|2,0,0]=4 420 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Br MB06176 [0,1,0,0,0,1|1,0,1]=4 421 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)Cl MB02033 [0,1,0,0,0,1|1,0,1]=4 422 B14R2.8239 CC1C(=O)Nc2cc(ccc2O1)N AB09976 [0,1,0,0,0,1|1,0,1]=4 423 B14R2.8239 CC1C(=O)Nc2ccc(cc2O1)N AB54532 [0,1,0,0,0,1|1,0,1]=4 424 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Br AB12569 [0,1,0,0,0,1|2,0,0]=4 425 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)Cl AB42139 [0,1,0,0,0,1|2,0,0]=4 426 B14R2.8239 Cc1cc2cc(ccc2nc1Cl)F AB51948 [0,1,0,0,0,1|2,0,0]=4 427 B14R2.8239 Cc1cc2cc(ccc2nc1N)Br AB05791 [0,1,0,0,0,1|2,0,0]=4 428 B14R2.8239 Cc1cc2cc(ccc2nc1N)Cl AB05783 [0,1,0,0,0,1|2,0,0]=4 429 B14R2.8239 Cc1cc2cc(ccc2nc1N)F AB05794 [0,1,0,0,0,1|2,0,0]=4 430 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Br AB51952 [0,1,0,0,0,1|2,0,0]=4 431 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)Cl AB51955 [0,1,0,0,0,1|2,0,0]=4 432 B14R2.8239 Cc1cc2ccc(cc2nc1Cl)F AB51968 [0,1,0,0,0,1|2,0,0]=4 433 B14R2.8239 Cc1cc2ccc(cc2nc1N)Br AB05830 [0,1,0,0,0,1|2,0,0]=4 434 B14R2.8239 Cc1cc2ccc(cc2nc1N)Cl AB05787 [0,1,0,0,0,1|2,0,0]=4 435 B14R2.8239 Cc1cc2ccc(cc2nc1N)F AB05796 [0,1,0,0,0,1|2,0,0]=4 436 B14R2.8239 Cc1cc2ccc(cc2oc1=O)O AB50338 [0,1,0,0,0,1|1,0,0]=3 437 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)Cl)C AB42073 [0,1,0,0,0,1|2,0,0]=4 438 B14R2.8239 Cc1ccc2c(c1)cc(c(n2)N)C AB05771 [0,1,0,0,0,1|2,0,0]=4 439 B14R2.8239 Cc1ccc2cc(c(cc2n1)C)C AB45155 [0,1,0,0,0,1|2,0,0]=4 440 B14R2.8239 Cc1ccc2cc(c(nc2c1)Cl)C AB11873 [0,1,0,0,0,1|2,0,0]=4 441 B14R2.8239 Cc1ccc2cc(c(nc2c1)N)C AB05775 [0,1,0,0,0,1|2,0,0]=4 442 B14R2.28472 CC1C(=O)Nc2cccc(c2O1)N MB05445 [0,1,0,0,0,1|1,0,1]=4 443 B14R2.28472 Cc1c(nc2c(n1)ccnc2Cl)C AB07441 [0,1,0,0,0,1|2,0,0]=4 444 B14R2.28472 Cc1cc2c(ccnc2cc1C)Cl AB52102 [0,1,0,0,0,1|2,0,0]=4 445 B14R2.28472 Cc1cc2c(ccnc2cc1C)N AB52053 [0,1,0,0,0,1|2,0,0]=4 446 B14R2.28472 Cc1cc2c(ccnc2cc1C)O AB05728 [0,1,0,0,0,1|2,0,0]=4 447 B14R2.28472 Cc1cccc2c1nc(c(c2)C)Cl AB42069 [0,1,0,0,0,1|2,0,0]=4 448 B14R2.28472 Cc1cccc2c1nc(c(c2)C)N AB05779 [0,1,0,0,0,1|2,0,0]=4 449 B14R2.44 Cn1c2ccccc2nc1CCN AB09978 [0,2,0,0,0,0|2,0,0]=4 450 B14R2.517 CC1=NC2=C(=C1CCN)C=CC=C2 AB03694 [0,2,0,0,0,0|1,0,1]=4 451 B14R2.517 Cc1c(c2ccccc2s1)CC#N AB16604 [0,2,0,0,0,0|0,1,0]=3 452 B14R2.4220 Cc1cccn2c1nc(c2CO)C AB05518 [0,2,0,0,0,0|2,0,0]=4 453 B14R2.19306 Cc1c(c2ccccc2n1C)C=O AB07014 [0,2,0,0,0,0|1,0,1]=4 454 B14R2.3274 Cc1c2cc(ccc2nn1C)C#N PB16712 [0,2,0,0,0,0|2,0,0]=4 455 B14R2.3274 Cc1c2cc(ccc2nn1C)C=O PB16705 [0,2,0,0,0,0|2,0,0]=4 456 B14R2.3274 Cc1c2cc(ccc2nn1C)CN PB11237 [0,2,0,0,0,0|2,0,0]=4 457 B14R2.3274 Cc1c2cc(ccc2nn1C)CO PB18217 [0,2,0,0,0,0|2,0,0]=4 458 B14R2.1815 Cc1c2ccc(cc2nn1C)C#N PB27077 [0,2,0,0,0,0|2,0,0]=4 459 B14R2.1815 Cc1c2ccc(cc2nn1C)C=O PB11236 [0,2,0,0,0,0|2,0,0]=4 460 B14R2.1815 Cc1c2ccc(cc2nn1C)CN PB33348 [0,2,0,0,0,0|2,0,0]=4 461 B14R2.1815 Cc1c2ccc(cc2nn1C)CO PB11232 [0,2,0,0,0,0|2,0,0]=4 462 B12R2.24 Cc1cnc2ccccc2n1 CB10047 [0,0,1,1,0,0|2,0,0]=4 463 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,0,1,1,0,0|1,0,1]=4