0 B21R3.226 Brc1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000210664 [1,0,0,0,0,0|1,0,1]=3 1 B21R3.226 Brc1cccc(c1)c2nc(no2)Cc3cnccn3 270196a_200011824423_100000210664 [1,0,0,0,0,0|2,0,1]=4 2 B21R3.226 Brc1cccc(c1)c2nc(no2)Sc3ccccc3 270196a_100011225313_100000210664 [1,0,0,0,0,0|3,0,0]=4 3 B21R3.226 Brc1cccc(c1)c2nc(no2)[Se]c3ccccc3 270196a_100015229233_100000210664 [1,0,0,0,0,0|3,0,0]=4 4 B21R3.226 Brc1cccc(c1)c2noc(n2)Cc3cccnc3 270196a_100000189340_100000737805 [1,0,0,0,0,0|2,0,1]=4 5 B21R3.226 Cc1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000189346 [1,0,0,0,0,0|2,0,1]=4 6 B21R3.226 Clc1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000210390 [1,0,0,0,0,0|1,1,1]=4 7 B21R3.226 Fc1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000210950 [1,0,0,0,0,0|1,1,1]=4 8 B21R3.226 Ic1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000184098 [1,0,0,0,0,0|1,1,1]=4 9 B21R3.226 Oc1cccc(c1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000183914 [1,0,0,0,0,0|2,0,1]=4 10 B21R2.221983 O=C(CCc1cccc(c1)Br)C(=Cc2cccnc2)F 1458a_100000731744_100011740638 [0,0,1,0,0,0|2,0,1]=4 11 B21R2.221983 O=C(NCc1cccc(c1)Br)C(=Cc2cccnc2)F 11a_100000174977_100000731744 [0,0,1,0,0,0|2,0,1]=4 12 B21R2.221983 O=C(NCc1cccc(c1)Br)C(=Cc2cccnc2)F 240690a_100000174977_100000731744 [0,0,1,0,0,0|2,0,1]=4 13 B21R2.221983 O=C(NCc1cccc(c1)Br)C(=Cc2cccnc2)F 527a_100000174977_100000731744 [0,0,1,0,0,0|2,0,1]=4 14 B21R2.221983 O=C(NNc1cccc(c1)Br)C(=Cc2cccnc2)F 22a_100000217339_100000731744 [0,0,1,0,0,0|3,0,0]=4 15 B21R2.222199 CC(NC(=O)C=Cc1cccnc1)c2cccc(c2)Br 11a_100020642005_100000735890 [0,0,1,0,0,0|2,0,1]=4 16 B21R2.222199 CC(NC(=O)C=Cc1cccnc1)c2cccc(c2)Br 240690a_100020642005_100000735890 [0,0,1,0,0,0|2,0,1]=4 17 B21R2.222199 Cc1cccc(c1)C(=O)CC(=O)C=Cc2cccnc2 1458a_100000735890_100000739480 [0,0,1,0,0,0|3,0,0]=4 18 B21R2.222199 O=C(C=Cc1ccccc1)CC(=O)c2cccc(c2)Br 1458a_100000210462_100000212080 [0,0,1,0,0,0|3,0,0]=4 19 B21R2.222199 O=C(C=Cc1cccnc1)CC(=O)c2cccc(c2)Br 1458a_100000735890_100000212080 [0,0,1,0,0,0|2,0,0]=3 20 B21R2.222199 O=C(C=Cc1cccnc1)CC(=O)c2cccc(c2)Cl 1458a_100000735890_100000211444 [0,0,1,0,0,0|2,1,0]=4 21 B21R2.222199 O=C(C=Cc1cccnc1)CC(=O)c2cccc(c2)F 1458a_100000735890_100000215616 [0,0,1,0,0,0|2,1,0]=4 22 B21R2.222199 O=C(C=Cc1cccnc1)CC(=O)c2cccc(c2)O 1458a_100000735890_100009813753 [0,0,1,0,0,0|3,0,0]=4 23 B23R3.16326 Cc1cccc(c1)c2nc(c(o2)C)COc3cccnc3 34a_100000210849_200000069893 [0,0,0,0,0,1|2,0,1]=4 24 B23R3.16326 Cc1cccc(c1)c2nc(c(o2)C)COc3cccnc3 7a_100000210849_200000069893 [0,0,0,0,0,1|2,0,1]=4 25 B23R3.16326 Cc1cccc(c1)c2nc(c(o2)C)CSc3cccnc3 62a_100000210063_200000069893 [0,0,0,0,0,1|2,0,1]=4 26 B23R3.16326 Cc1cccc(c1)c2nc(c(o2)C)CSc3cccnc3 62a_200000069893_100000210063 [0,0,0,0,0,1|2,0,1]=4 27 B20R2.4658 O=C(C=Cc1cccnc1)CCc2cccc(c2)Br 1458a_100000735890_100011740638 [1,0,1,0,0,0|1,0,1]=4 28 B20R2.4658 O=C(C=Cc1cccnc1)NCc2cccc(c2)Br 11a_100000174977_100000735890 [1,0,1,0,0,0|1,0,1]=4 29 B20R2.4658 O=C(C=Cc1cccnc1)NCc2cccc(c2)Br 240690a_100000174977_100000735890 [1,0,1,0,0,0|1,0,1]=4 30 B20R2.4658 O=C(C=Cc1cccnc1)NNc2cccc(c2)Br 22a_100000217339_100000735890 [1,0,1,0,0,0|2,0,0]=4 31 B20R2.21596 O=C(C=Cc1cccnc1)CC(=O)c2ccccc2 1458a_100000735890_100000211460 [1,0,1,0,0,0|2,0,0]=4 32 B20R3.2719 c1ccc(cc1)Sc2coc(n2)c3ccccc3 62a_100000719477_100010163736 [2,0,0,0,0,0|2,0,0]=4 33 B20R3.2719 c1ccc(cc1)Sc2coc(n2)c3ccccc3 62a_100010163736_100000041952 [2,0,0,0,0,0|2,0,0]=4 34 B20R3.2719 c1ccc(cc1)c2nc(c[nH]2)Sc3cccnc3 62a_100000210063_200010210587 [2,0,0,0,0,0|2,0,0]=4 35 B20R3.2719 c1ccc(cc1)c2nc(c[nH]2)Sc3cccnc3 62a_200010210587_100000210063 [2,0,0,0,0,0|2,0,0]=4 36 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cccnc3 62a_100000210063_100010163736 [2,0,0,0,0,0|1,0,0]=3 37 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cccnc3 62a_100010163736_100000210063 [2,0,0,0,0,0|1,0,0]=3 38 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cccnn3 62a_100010163736_100016991348 [2,0,0,0,0,0|2,0,0]=4 39 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cccnn3 62a_100016991348_100010163736 [2,0,0,0,0,0|2,0,0]=4 40 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3ccnnc3 62a_100000732662_100010163736 [2,0,0,0,0,0|2,0,0]=4 41 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3ccnnc3 62a_100010163736_100000732662 [2,0,0,0,0,0|2,0,0]=4 42 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cnccn3 62a_100000211759_100010163736 [2,0,0,0,0,0|2,0,0]=4 43 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cnccn3 62a_100010163736_100000211759 [2,0,0,0,0,0|2,0,0]=4 44 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cncnc3 62a_100010163736_100011206942 [2,0,0,0,0,0|2,0,0]=4 45 B20R3.2719 c1ccc(cc1)c2nc(co2)Sc3cncnc3 62a_100011206942_100010163736 [2,0,0,0,0,0|2,0,0]=4 46 B20R3.2719 c1ccc(cc1)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000185807 [2,0,0,0,0,0|1,0,1]=4 47 B20R3.2719 c1ccc(cc1)c2nc(no2)Sc3cccnc3 62a_100000210063_200000701163 [2,0,0,0,0,0|2,0,0]=4 48 B20R3.2719 c1ccc(cc1)c2nc(no2)Sc3cccnc3 62a_200000701163_100000210063 [2,0,0,0,0,0|2,0,0]=4 49 B22R2.304019 O=C(CC(=O)c1cccc(c1)Br)C(=Cc2cccnc2)F 1458a_100000731744_100000212080 [0,1,1,0,0,0|2,0,0]=4 50 B22R2.22609 O=C(C=Cc1ccc(nc1)Br)CC(=O)c2cccc(c2)Br 1458a_100020588214_100000212080 [0,1,1,0,0,0|2,0,0]=4 51 B22R2.24196 Cc1ccc(cc1Br)C(=O)CC(=O)C=Cc2cccnc2 1458a_100000735890_100012346676 [0,1,1,0,0,0|2,0,0]=4 52 B22R2.24196 O=C(C=Cc1cccnc1)CC(=O)c2ccc(c(c2)Br)F 1458a_100000735890_100011217175 [0,1,1,0,0,0|2,0,0]=4 53 B22R2.304028 CC(C(=O)C=Cc1cccnc1)C(=O)c2cccc(c2)Br 1458a_100000735890_100012349134 [0,1,1,0,0,0|2,0,0]=4 54 B22R2.305647 O=C(C=Cc1cccnc1)CC(=O)c2cccc(c2F)Br 1458a_100000735890_100012356374 [0,1,1,0,0,0|2,0,0]=4 55 B22R2.308725 O=C(C=Cc1cccnc1)CC(=O)c2cc(ccc2O)Br 1458a_100000735890_200009828000 [0,1,1,0,0,0|2,0,0]=4 56 B22R3.278 Brc1cccc(c1Br)c2nc(no2)Cc3cccnc3 270196a_100011194494_100012360534 [1,1,0,0,0,0|1,0,1]=4 57 B22R3.278 Brc1cccc(c1I)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000688019 [1,1,0,0,0,0|1,0,1]=4 58 B22R3.278 Cc1c(cccc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000760464 [1,1,0,0,0,0|1,0,1]=4 59 B22R3.278 Clc1c(cccc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000760540 [1,1,0,0,0,0|1,0,1]=4 60 B22R3.278 Fc1c(cccc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000756403 [1,1,0,0,0,0|1,0,1]=4 61 B22R3.278 Oc1c(cccc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000752940 [1,1,0,0,0,0|1,0,1]=4 62 B22R3.1100 Brc1cc(ccc1I)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000739115 [1,1,0,0,0,0|1,0,1]=4 63 B22R3.1100 Brc1ccc(cc1Br)c2nc(no2)Cc3cccnc3 270196a_100011194494_100012339404 [1,1,0,0,0,0|1,0,1]=4 64 B22R3.1100 Cc1ccc(cc1Br)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000186397 [1,1,0,0,0,0|1,0,1]=4 65 B22R3.1100 Clc1ccc(cc1Br)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000691181 [1,1,0,0,0,0|1,0,1]=4 66 B22R3.1100 Fc1ccc(cc1Br)c2nc(no2)Cc3cccnc3 270196a_100011194494_100000760357 [1,1,0,0,0,0|1,0,1]=4 67 B22R3.10585 Brc1cc(cc(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000687083 [1,1,0,0,0,0|1,0,1]=4 68 B22R3.10585 Brc1cc(cc(c1)c2nc(no2)Cc3cccnc3)I 270196a_100011194494_100000689235 [1,1,0,0,0,0|1,0,1]=4 69 B22R3.10585 Cc1cc(cc(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000760426 [1,1,0,0,0,0|1,0,1]=4 70 B22R3.10585 Clc1cc(cc(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000687899 [1,1,0,0,0,0|1,0,1]=4 71 B22R3.10585 Fc1cc(cc(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000739618 [1,1,0,0,0,0|1,0,1]=4 72 B22R3.10585 Oc1cc(cc(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100011934545 [1,1,0,0,0,0|1,0,1]=4 73 B22R3.11615 Clc1ncccc1Cc2noc(n2)c3cccc(c3)Br 270196a_100000096391_100000210664 [1,1,0,0,0,0|1,0,1]=4 74 B22R3.12725 Brc1ccc(c(c1)c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000690610 [1,1,0,0,0,0|1,0,1]=4 75 B22R3.12725 Brc1ccc(c(c1)c2nc(no2)Cc3cccnc3)I 270196a_100011194494_100000183945 [1,1,0,0,0,0|1,0,1]=4 76 B22R3.12725 Cc1ccc(cc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000759961 [1,1,0,0,0,0|1,0,1]=4 77 B22R3.12725 Clc1ccc(cc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000211212 [1,1,0,0,0,0|1,0,1]=4 78 B22R3.12725 Fc1ccc(cc1c2nc(no2)Cc3cccnc3)Br 270196a_100011194494_100000212322 [1,1,0,0,0,0|1,0,1]=4 79 B22R3.46692 Brc1cccc(c1)c2nc(no2)Cc3ccc(nc3)Br 270196a_100000703598_100000210664 [1,1,0,0,0,0|1,0,1]=4 80 B22R3.46692 Clc1ccc(cn1)Cc2noc(n2)c3cccc(c3)Br 270196a_100000747943_100000210664 [1,1,0,0,0,0|1,0,1]=4 81 B22R3.46692 Fc1ccc(cn1)Cc2noc(n2)c3cccc(c3)Br 270196a_100000096407_100000210664 [1,1,0,0,0,0|1,0,1]=4 82 B22R3.708642 Brc1cncc(c1)Cc2noc(n2)c3cccc(c3)Br 270196a_100015508350_100000210664 [1,1,0,0,0,0|1,0,1]=4 83 B22R3.11609 Brc1cccc(c1)c2noc(n2)C=Cc3cccnc3 270196a_100000189340_100000735890 [0,0,1,1,0,0|1,0,1]=4 84 B20R2.4648 O=C(Cc1cccc(c1)Br)C(=Cc2cccnc2)F 1458a_100000731744_100000211773 [0,0,1,0,1,0|1,0,1]=4 85 B20R2.4648 O=C(Nc1cccc(c1)Br)C(=Cc2cccnc2)F 11a_100000210019_100000731744 [0,0,1,0,1,0|2,0,0]=4 86 B20R2.4648 O=C(Nc1cccc(c1)Br)C(=Cc2cccnc2)F 22a_100000210019_100000731744 [0,0,1,0,1,0|2,0,0]=4 87 B20R2.4648 O=C(Nc1cccc(c1)Br)C(=Cc2cccnc2)F 527a_100000210019_100000731744 [0,0,1,0,1,0|2,0,0]=4 88 B20R2.4659 CN(C(=O)C=Cc1cccnc1)c2cccc(c2)Br 11a_100000219648_100000735890 [0,0,1,0,1,0|2,0,0]=4 89 B20R2.4659 CN(C(=O)C=Cc1cccnc1)c2cccc(c2)Br 22a_100000219648_100000735890 [0,0,1,0,1,0|2,0,0]=4 90 B20R3.160 Brc1cccc(c1)c2nc(no2)c3ccccc3 270196a_100000210280_100000210664 [1,0,0,0,1,0|2,0,0]=4 91 B20R3.160 Brc1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000210664 [1,0,0,0,1,0|1,0,0]=3 92 B20R3.160 Brc1cccc(c1)c2nc(no2)c3cccnn3 270196a_100000047776_100000210664 [1,0,0,0,1,0|2,0,0]=4 93 B20R3.160 Brc1cccc(c1)c2nc(no2)c3ccnnc3 270196a_100011830395_100000210664 [1,0,0,0,1,0|2,0,0]=4 94 B20R3.160 Brc1cccc(c1)c2nc(no2)c3cnccn3 270196a_100011215543_100000210664 [1,0,0,0,1,0|2,0,0]=4 95 B20R3.160 Brc1cccc(c1)c2nc(no2)c3cncnc3 270196a_100011219289_100000210664 [1,0,0,0,1,0|2,0,0]=4 96 B20R3.160 Cc1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000189346 [1,0,0,0,1,0|2,0,0]=4 97 B20R3.160 Clc1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000210390 [1,0,0,0,1,0|1,1,0]=4 98 B20R3.160 Fc1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000210950 [1,0,0,0,1,0|1,1,0]=4 99 B20R3.160 Ic1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000184098 [1,0,0,0,1,0|1,1,0]=4 100 B20R3.160 Oc1cccc(c1)c2nc(no2)c3cccnc3 270196a_100000188564_100000183914 [1,0,0,0,1,0|2,0,0]=4 101 B22R2.304027 O=C(C=Cc1cccnc1)NNC(=O)c2cccc(c2)Br 22a_100000189783_100000735890 [0,0,1,0,0,1|2,0,0]=4 102 B22R2.305077 O=C(C=Cc1cccnc1)CC(=O)Nc2cccc(c2)Br 1458a_100000735890_100000183509 [0,0,1,0,0,1|2,0,0]=4 103 B22R3.31809 Brc1cccc(c1)Cc2nc(no2)Cc3cccnc3 270196a_100011194494_100000747190 [1,0,0,0,0,1|1,0,1]=4 104 B22R3.18201 Cc1oc(nc1COc2cccnc2)c3ccccc3 34a_100000210849_100000024931 [1,0,0,0,0,1|1,0,1]=4 105 B22R3.18201 Cc1oc(nc1COc2cccnc2)c3ccccc3 7a_100000210849_100000024931 [1,0,0,0,0,1|1,0,1]=4 106 B22R3.18201 Cc1oc(nc1CSc2cccnc2)c3ccccc3 62a_100000024931_100000210063 [1,0,0,0,0,1|1,0,1]=4 107 B22R3.18201 Cc1oc(nc1CSc2cccnc2)c3ccccc3 62a_100000210063_100000024931 [1,0,0,0,0,1|1,0,1]=4