0 B25R4.9186 c1cc(cc(c1)c2c[nH]c3c2cccn3)OC4CCCCC4 271570a_100000695875_200000701403 [1,0,0,0,0,0|3,0,0]=4 1 B25R4.9186 c1cc(nc(c1)c2c[nH]c3c2cccc3)NC4CCCCC4 271570a_100012356747_200011960440 [1,0,0,0,0,0|2,0,0]=3 2 B25R4.9186 c1cc(nc(c1)c2c[nH]c3c2cccn3)NC4CCCCC4 271570a_100000695875_200011960440 [1,0,0,0,0,0|1,0,0]=2 3 B25R4.9186 c1cc(nc(c1)c2c[nH]c3c2cccn3)OC4CCNCC4 271570a_100000695875_100020638990 [1,0,0,0,0,0|3,0,0]=4 4 B25R4.9186 c1cc(nc(c1)c2coc3c2cccc3)NC4CCCCC4 271570a_100000084643_200011960440 [1,0,0,0,0,0|3,0,0]=4 5 B25R4.9186 c1cc(nc(c1)c2csc3c2cccc3)NC4CCCCC4 271570a_100000038073_200011960440 [1,0,0,0,0,0|3,0,0]=4 6 B25R4.9186 c1ccc2c(c[nH]c2c1)c3cc(ncn3)NC4CCCCC4 271570a_100012356747_100000239279 [1,0,0,0,0,0|3,0,0]=4 7 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCCCC4 27a_100000182618_100012344206 [1,0,0,0,0,0|1,0,0]=2 8 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCCOC4 27a_100000719290_100012344206 [1,0,0,0,0,0|2,0,0]=3 9 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCOCC4 27a_100000741149_100012344206 [1,0,0,0,0,0|2,0,0]=3 10 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCSCC4 27a_100000748639_100012344206 [1,0,0,0,0,0|2,0,0]=3 11 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCCC4 62a_100000210327_100012344206 [1,0,0,0,0,0|2,0,0]=3 12 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCCC4 62a_100012344206_100000210327 [1,0,0,0,0,0|2,0,0]=3 13 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCOC4 62a_100012344206_100000693364 [1,0,0,0,0,0|3,0,0]=4 14 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCOCC4 62a_100012344206_100011324220 [1,0,0,0,0,0|3,0,0]=4 15 B25R4.9186 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCSCC4 62a_100012344206_100000069128 [1,0,0,0,0,0|3,0,0]=4 16 B25R4.9186 c1cnc2[nH]cc(c2c1)c3cc(ncn3)NC4CCCCC4 271570a_100000695875_100000239279 [1,0,0,0,0,0|2,0,0]=3 17 B25R4.29646 Cc1cc(nc(n1)N2CCCCC2)c3c[nH]c4c3cccc4 271570a_100012356747_200011202812 [0,0,0,0,1,0|3,0,0]=4 18 B25R4.29646 Cc1cc(nc(n1)N2CCCCC2)c3c[nH]c4c3cccn4 271570a_100000695875_200011202812 [0,0,0,0,1,0|2,0,0]=3 19 B25R4.29646 Cc1cc(nc(n1)N2CCOCC2)c3c[nH]c4c3cccn4 271570a_100000695875_200011202816 [0,0,0,0,1,0|3,0,0]=4 20 B25R4.29646 Clc1cc(cc(c1)N2CCCCC2)c3c[nH]c4c3cccn4 271570a_100010295916_100011934613 [0,0,0,0,1,0|3,0,0]=4 21 B25R4.29646 Nc1cc(nc(n1)N2CCOCC2)c3c[nH]c4c3cccn4 271570a_100000695875_100000069683 [0,0,0,0,1,0|3,0,0]=4 22 B24R3.4795 CCCCCCNc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000210581_100012344206 [1,0,1,0,0,0|1,0,0]=3 23 B24R3.4795 CCCCCCSc1nccc(n1)c2c[nH]c3c2cccc3 62a_100000210314_100012344206 [1,0,1,0,0,0|2,0,0]=4 24 B24R3.4795 CCCCCCSc1nccc(n1)c2c[nH]c3c2cccc3 62a_100012344206_100000210757 [1,0,1,0,0,0|2,0,0]=4 25 B24R3.4795 CCCOCCNc1nccc(n1)c2c[nH]c3c2cccc3 27a_100161115042_100012344206 [1,0,1,0,0,0|2,0,0]=4 26 B24R3.4795 CCCSCCNc1nccc(n1)c2c[nH]c3c2cccc3 27a_100020603323_100012344206 [1,0,1,0,0,0|2,0,0]=4 27 B24R3.4795 CCOCCCNc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000210961_100012344206 [1,0,1,0,0,0|2,0,0]=4 28 B24R3.4795 OCCCCCNc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000762737_100012344206 [1,0,1,0,0,0|2,0,0]=4 29 B24R3.6698 CCCCC(C)Nc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000126638_100012344206 [1,0,1,0,0,0|1,0,0]=3 30 B24R3.6698 CCCCC(C)Sc1nccc(n1)c2c[nH]c3c2cccc3 62a_100012344206_200011215066 [1,0,1,0,0,0|2,0,0]=4 31 B24R3.6698 CCCCC(C)Sc1nccc(n1)c2c[nH]c3c2cccc3 62a_200011215066_100012344206 [1,0,1,0,0,0|2,0,0]=4 32 B24R3.9995 CCC(COC)Nc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000757820_100012344206 [1,0,1,0,0,0|2,0,0]=4 33 B24R3.9995 CCCC(CC)Nc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000747048_100012344206 [1,0,1,0,0,0|1,0,0]=3 34 B24R3.9995 CCCC(CC)Sc1nccc(n1)c2c[nH]c3c2cccc3 62a_100011219200_100012344206 [1,0,1,0,0,0|2,0,0]=4 35 B24R3.9995 CCCC(CC)Sc1nccc(n1)c2c[nH]c3c2cccc3 62a_100012344206_100011219200 [1,0,1,0,0,0|2,0,0]=4 36 B24R3.9995 CCC[C@@H](CO)Nc1nccc(n1)c2c[nH]c3c2cccc3 27a_100000732646_100012344206 [1,0,1,0,0,0|2,0,0]=4 37 B26R4.4548 CC1CCCCC1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100000211402_100012344206 [1,1,0,0,0,0|1,0,0]=3 38 B26R4.4548 FC1CCCCC1Sc2nccc(n2)c3c[nH]c4c3cccc4 62a_100012344206_100015423560 [1,1,0,0,0,0|2,0,0]=4 39 B26R4.4548 FC1CCCCC1Sc2nccc(n2)c3c[nH]c4c3cccc4 62a_100015423560_100012344206 [1,1,0,0,0,0|2,0,0]=4 40 B26R4.4548 F[C@@H]1CCCC[C@H]1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100015195156_100012344206 [1,1,0,0,0,0|1,0,0]=3 41 B26R4.4548 F[C@H]1COCC[C@@H]1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100016994078_100012344206 [1,1,0,0,0,0|2,0,0]=4 42 B26R4.4548 OC1CCCCC1Sc2nccc(n2)c3c[nH]c4c3cccc4 62a_100000038908_100012344206 [1,1,0,0,0,0|2,0,0]=4 43 B26R4.4548 OC1CCCCC1Sc2nccc(n2)c3c[nH]c4c3cccc4 62a_100012344206_100000038908 [1,1,0,0,0,0|2,0,0]=4 44 B26R4.4548 O[C@H]1CCCC[C@H]1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100015191688_100012344206 [1,1,0,0,0,0|1,0,0]=3 45 B26R4.4548 O[C@H]1CCOC[C@@H]1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100015739063_100012344206 [1,1,0,0,0,0|2,0,0]=4 46 B26R4.4548 O[C@H]1COCC[C@H]1Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100016994285_100012344206 [1,1,0,0,0,0|2,0,0]=4 47 B26R4.6135 CC1CCC(CC1)Sc2nccc(n2)c3c[nH]c4c3cccc4 62a_100012344206_200011216234 [1,1,0,0,0,0|2,0,0]=4 48 B26R4.6135 CN1CCC(CC1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100000198570_100012344206 [1,1,0,0,0,0|2,0,0]=4 49 B26R4.6135 C[C@H]1CC[C@@H](CC1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100020625639_100012344206 [1,1,0,0,0,0|1,0,0]=3 50 B26R4.6135 O[C@H]1CC[C@H](CC1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100020628982_100012344206 [1,1,0,0,0,0|1,0,0]=3 51 B26R4.12239 CN(c1nccc(n1)c2c[nH]c3c2cccc3)C4CCCCC4 27a_100000207522_100012344206 [1,1,0,0,0,0|1,0,0]=3 52 B26R4.12239 CN(c1nccc(n1)c2c[nH]c3c2cccc3)C4CCOCC4 27a_100020587155_100012344206 [1,1,0,0,0,0|2,0,0]=4 53 B26R4.12239 CN(c1nccc(n1)c2c[nH]c3c2cccc3)C4CCSCC4 27a_100015184757_100012344206 [1,1,0,0,0,0|2,0,0]=4 54 B26R4.116633 CC1CCCC(C1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100011194320_100012344206 [1,1,0,0,0,0|1,0,0]=3 55 B26R4.116633 CN1CCC[C@@H](C1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100016992120_100012344206 [1,1,0,0,0,0|2,0,0]=4 56 B26R4.116633 OC1CCCC(C1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100015190357_100012344206 [1,1,0,0,0,0|1,0,0]=3 57 B26R4.2569703 Clc1c(ccnc1OC2CCCCC2)c3c[nH]c4c3cccn4 271570a_200021144957_100011934613 [1,1,0,0,0,0|2,0,0]=4 58 B26R4.2736123 CC1(CCOCC1)Nc2nccc(n2)c3c[nH]c4c3cccc4 27a_100000692449_100012344206 [1,1,0,0,0,0|2,0,0]=4 59 B26R4.2787402 Clc1cnc2[nH]cc(c2c1)c3cc(ncn3)NC4CCCCC4 271570a_200010082785_100000239279 [1,1,0,0,0,0|2,0,0]=4 60 B26R4.2787402 Clc1cnc2[nH]cc(c2c1)c3cccc(n3)NC4CCCCC4 271570a_200010082785_200011960440 [1,1,0,0,0,0|1,0,0]=3 61 B26R4.5843075 Cn1cc(c2c1cccc2)c3cccc(n3)NC4CCCCC4 271570a_100000703689_200011960440 [1,1,0,0,0,0|2,0,0]=4 62 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)NC4CCCCC4 27a_100000182618_100015193557 [1,1,0,0,0,0|1,0,0]=3 63 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)NC4CCCOC4 27a_100000719290_100015193557 [1,1,0,0,0,0|2,0,0]=4 64 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)NC4CCOCC4 27a_100000741149_100015193557 [1,1,0,0,0,0|2,0,0]=4 65 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)NC4CCSCC4 27a_100000748639_100015193557 [1,1,0,0,0,0|2,0,0]=4 66 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)SC4CCCCC4 62a_100000210327_100015193557 [1,1,0,0,0,0|2,0,0]=4 67 B26R4.5843075 Cn1cc(c2c1cccc2)c3ccnc(n3)SC4CCCCC4 62a_100015193557_100000210327 [1,1,0,0,0,0|2,0,0]=4 68 B26R4.5843075 Cn1cc(c2c1nccc2)c3cc(ncn3)NC4CCCCC4 271570a_100010082783_100000239279 [1,1,0,0,0,0|2,0,0]=4 69 B26R4.5843075 Cn1cc(c2c1nccc2)c3cccc(n3)NC4CCCCC4 271570a_100010082783_200011960440 [1,1,0,0,0,0|1,0,0]=3 70 B26R4.14225 CCc1cc(nc(n1)N2CCCCC2)c3c[nH]c4c3cccn4 271570a_100000695875_200011439869 [0,1,0,0,1,0|2,0,0]=4 71 B26R4.2137960 Cc1cc(nc(n1)N2CCCCC2)c3cn(c4c3cccn4)C 271570a_100010082783_200011202812 [0,1,0,0,1,0|2,0,0]=4 72 B26R4.2787992 Cc1cc(nc(n1)N2CCCCC2)c3c[nH]c4c3cc(cn4)Cl 271570a_200010082785_200011202812 [0,1,0,0,1,0|2,0,0]=4 73 B26R5.4131414 c1ccc2c(c[nH]c2c1)c3ccnc(n3)N4C5CCC4CC5 27a_100000735658_100012344206 [1,0,0,1,0,0|1,0,0]=3 74 B26R5.4131432 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4C5C4COC5 27a_100000702821_100012344206 [1,0,0,1,0,0|2,0,0]=4 75 B24R4.1754 c1cc(nc(c1)N2CCCCC2)c3c[nH]c4c3cccn4 271570a_100000695875_200011934742 [1,0,0,0,1,0|2,0,0]=4 76 B24R4.1754 c1cnc2[nH]cc(c2c1)c3ccnc(c3)N4CCCCC4 271570a_100000695875_100000100308 [1,0,0,0,1,0|2,0,0]=4 77 B24R4.1754 c1cnc2[nH]cc(c2c1)c3ccnc(n3)N4CCNCC4 271570a_100000695875_200020587174 [1,0,0,0,1,0|2,0,0]=4 78 B24R4.1754 c1cnc2[nH]cc(c2c1)c3ccnc(n3)N4CCOCC4 271570a_100000695875_100000697286 [1,0,0,0,1,0|2,0,0]=4 79 B24R4.28039 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCCC4 27a_100000211070_100012344206 [1,0,0,0,1,0|1,0,0]=3 80 B24R4.28039 c1ccc2c(c[nH]c2c1)c3ccnc(n3)N[C@@H]4CCOC4 27a_200015188469_100012344206 [1,0,0,0,1,0|2,0,0]=4 81 B24R4.28039 c1ccc2c(c[nH]c2c1)c3ccnc(n3)N[C@H]4CCOC4 27a_100015188467_100012344206 [1,0,0,0,1,0|2,0,0]=4 82 B24R4.28039 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCC4 62a_100011217020_100012344206 [1,0,0,0,1,0|2,0,0]=4 83 B24R4.28039 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCC4 62a_100012344206_100000179811 [1,0,0,0,1,0|2,0,0]=4 84 B24R4.21500 Cc1cc(nc(n1)N2CCCC2)c3c[nH]c4c3cccn4 271570a_100000695875_100011209891 [0,0,0,0,2,0|2,0,0]=4 85 B26R4.10449 c1cc(cc(c1)c2c[nH]c3c2cccn3)CNC4CCCCC4 271570a_100000695875_200000186174 [1,0,0,0,0,1|2,0,0]=4 86 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NCC4CCCCC4 27a_100000210473_100012344206 [1,0,0,0,0,1|1,0,0]=3 87 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NCC4CCCCO4 27a_100000174945_100012344206 [1,0,0,0,0,1|2,0,0]=4 88 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NCC4CCCOC4 27a_100000720124_100012344206 [1,0,0,0,0,1|2,0,0]=4 89 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NCC4CCOCC4 27a_100000746373_100012344206 [1,0,0,0,0,1|2,0,0]=4 90 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NCC4CCSCC4 27a_100015188806_100012344206 [1,0,0,0,0,1|2,0,0]=4 91 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SCC4CCCCC4 62a_100000211423_100012344206 [1,0,0,0,0,1|2,0,0]=4 92 B26R4.10449 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SCC4CCCCC4 62a_100012344206_100000211423 [1,0,0,0,0,1|2,0,0]=4 93 B26R4.1548184 c1ccc2c(c[nH]c2c1)c3ccnc(n3)NC4CCCCCC4 27a_100000210984_100012344206 [1,0,0,0,0,1|1,0,0]=3 94 B26R4.1548184 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCCCC4 62a_100011217769_100012344206 [1,0,0,0,0,1|2,0,0]=4 95 B26R4.1548184 c1ccc2c(c[nH]c2c1)c3ccnc(n3)SC4CCCCCC4 62a_100012344206_100011217769 [1,0,0,0,0,1|2,0,0]=4 96 B26R4.1647394 c1cc(nc(c1)c2cccc3c2cccn3)NC4CCCCC4 271570a_100012617998_200011960440 [1,0,0,0,0,1|2,0,0]=4 97 B26R4.1647394 c1ccc2c(cccc2c1)c3ccnc(n3)NC4CCCCC4 27a_100000182618_100006009409 [1,0,0,0,0,1|2,0,0]=4 98 B26R4.1647395 c1cc(nc(c1)c2ccc3ncccc3c2)NC4CCCCC4 271570a_100012351079_200011960440 [1,0,0,0,0,1|2,0,0]=4 99 B26R4.1647395 c1ccc2cc(ccc2c1)c3ccnc(n3)NC4CCCCC4 27a_100000182618_100006009104 [1,0,0,0,0,1|2,0,0]=4 100 B26R4.1647509 c1cc(nc(c1)Sc2c[nH]c3c2cccn3)NC4CCCCC4 62a_200011960440_100011934613 [1,0,0,0,0,1|1,0,0]=3 101 B26R4.1647509 c1cc(nc(c1)Sc2c[nH]c3c2cncn3)NC4CCCCC4 62a_100009817560_200011960440 [1,0,0,0,0,1|2,0,0]=4 102 B26R4.1647509 c1cc(nc(c1)Sc2c[nH]c3c2cncn3)NC4CCCCC4 62a_200011960440_100000072862 [1,0,0,0,0,1|2,0,0]=4 103 B26R4.1647509 c1cc(nc(c1)Sc2c[nH]c3c2nccn3)NC4CCCCC4 62a_200011960440_100009819587 [1,0,0,0,0,1|2,0,0]=4 104 B26R4.1647509 c1cc(nc(c1)Sc2csc3c2cccn3)NC4CCCCC4 62a_100009830249_200011960440 [1,0,0,0,0,1|2,0,0]=4 105 B26R4.1647509 c1cc(nc(c1)Sc2csc3c2cccn3)NC4CCCCC4 62a_200011960440_100009830249 [1,0,0,0,0,1|2,0,0]=4 106 B26R4.1647509 c1cc(nc(c1)Sc2n[nH]c3c2cccn3)NC4CCCCC4 62a_200011960440_100009888962 [1,0,0,0,0,1|2,0,0]=4 107 B26R4.1647509 c1cnc2[nH]cc(c2c1)Sc3cc(ncn3)NC4CCCCC4 62a_100000239279_100011934613 [1,0,0,0,0,1|2,0,0]=4 108 B26R4.33651 Cc1cc(nc(n1)N2CCCCC2)Sc3c[nH]c4c3cccn4 62a_200011202812_100011934613 [0,0,0,0,1,1|2,0,0]=4 109 B26R4.42510 Cc1cnc(c(c1)c2c[nH]c3c2cccn3)OC4CCCCC4 271570a_200021035944_100011934613 [0,0,0,0,1,1|2,0,0]=4