0 B22R3.300493 COc1ccc(cc1)N(C)c2ncnc3c2cc([nH]3)C 27a_100000220023_100009847220 [1,0,0,0,0,0|1,0,2]=4 1 B22R3.300493 COc1ccc(cc1)N(C)c2ncnc3c2cc(s3)C 27a_100000220023_100000753035 [1,0,0,0,0,0|1,0,2]=4 2 B22R3.300493 COc1ccc(cc1)N(C)c2ncnc3c2sc(c3)C 27a_100000220023_200009846640 [1,0,0,0,0,0|1,0,2]=4 3 B22R3.6090708 C=C(c1ccc(cc1)OC)c2nc(nc3c2CCC3)C 271570a_100010144143_100011240833 [1,0,0,0,0,0|1,0,1]=3 4 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2CCC3)C 27a_100000220023_100011240833 [1,0,0,0,0,0|0,0,0]=1 5 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2cc[nH]3)C 27a_100000220023_100000092993 [1,0,0,0,0,0|1,0,2]=4 6 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2ccs3)C 27a_100000220023_100000183124 [1,0,0,0,0,0|1,0,2]=4 7 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2cn[nH]3)C 27a_100000220023_100000745003 [1,0,0,0,0,0|2,0,1]=4 8 B22R3.6090708 COc1ccc(cc1)N(C)c2nc(nc3c2scc3)C 27a_100000220023_100012000418 [1,0,0,0,0,0|1,0,2]=4 9 B24R3.132751478 COc1ccc(cc1)N(C)c2nc(nc3c2c(c(s3)C)C)C 27a_100000220023_100000183080 [0,1,0,0,0,0|1,0,2]=4 10 B22R2.4358950 COc1ccc(cc1)N(C)c2cc(nc(n2)N)NC(C)C 27a_100000220023_100011228678 [0,0,1,0,0,0|2,0,0]=3 11 B24R3.132741025 COc1ccc(cc1)N(C)c2nc(nc3c2ccc(c3)C)C 27a_100000220023_200010384746 [0,0,0,0,0,1|0,0,3]=4 12 B24R3.132751451 COc1ccc(cc1)N(C)c2nc(nc3c2cc(cc3)C)C 27a_100000220023_100013022803 [0,0,0,0,0,1|0,0,3]=4 13 B21R2.100177 C=C(c1ccc(cc1)OC)c2nc(ncc2CCC)C 271570a_100010144143_200000069602 [1,0,1,0,0,0|1,0,1]=4 14 B21R2.100177 CCCc1cnc(nc1N(C)c2ccc(cc2)OC)C 27a_100000220023_200000069602 [1,0,1,0,0,0|0,0,0]=2 15 B21R2.31422 CCOc1cc(nc(n1)N)N(C)c2ccc(cc2)OC 27a_100000220023_100011996124 [1,0,1,0,0,0|2,0,0]=4 16 B21R2.3439607 COc1ccc(cc1)N(C)c2nc(nc(c2F)OC)C 27a_100000220023_100010751213 [1,0,1,0,0,0|2,0,0]=4 17 B21R2.423 COc1ccc(cc1)N(C)c2cc(ncn2)NC(C)C 27a_100000220023_200011443281 [1,0,1,0,0,0|1,0,0]=3 18 B21R2.423 COc1ccc(cc1)N(C)c2cc(ncn2)OC(C)C 27a_100000220023_100011443165 [1,0,1,0,0,0|1,0,0]=3 19 B21R2.423 COc1ccc(cc1)N(C)c2ccnc(c2)NC(C)C 27a_100000220023_200012354261 [1,0,1,0,0,0|2,0,0]=4 20 B21R2.423 COc1ccc(cc1)N(C)c2ccnc(c2)OC(C)C 27a_100000220023_100010247003 [1,0,1,0,0,0|2,0,0]=4 21 B21R2.130715 COc1ccc(cc1)Nc2cc(nc(n2)N)NC(C)C 27a_100000184247_100011228678 [1,0,1,0,0,0|2,0,0]=4 22 B21R2.780362 CC(C)Nc1cc(nc(n1)N)N(C)c2ccc(cc2)O 27a_100000182112_100011228678 [1,0,1,0,0,0|2,0,0]=4 23 B21R3.187818 C#Cc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100011215031_100011240833 [2,0,0,0,0,0|1,0,1]=4 24 B21R3.187818 C=Cc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100011218248_100011240833 [2,0,0,0,0,0|1,0,1]=4 25 B21R3.187818 CCc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000211069_100011240833 [2,0,0,0,0,0|1,0,0]=3 26 B21R3.187818 CCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011215824_100011240833 [2,0,0,0,0,0|2,0,0]=4 27 B21R3.187818 CCc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011215824 [2,0,0,0,0,0|2,0,0]=4 28 B21R3.187818 CNc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100000743151_100011240833 [2,0,0,0,0,0|2,0,0]=4 29 B21R3.187818 CNc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000743151 [2,0,0,0,0,0|2,0,0]=4 30 B21R3.187818 COc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000184247_100011240833 [2,0,0,0,0,0|0,0,0]=2 31 B21R3.187818 COc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000171711 [2,0,0,0,0,0|1,0,0]=3 32 B21R3.187818 COc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100000047065_100011240833 [2,0,0,0,0,0|2,0,0]=4 33 B21R3.187818 COc1ccc(cn1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000047065 [2,0,0,0,0,0|2,0,0]=4 34 B21R3.187818 COc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100000755202_100011240833 [2,0,0,0,0,0|2,0,0]=4 35 B21R3.187818 COc1ccc(nc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100000744180 [2,0,0,0,0,0|2,0,0]=4 36 B21R3.187818 CSc1ccc(cc1)Nc2nc(nc3c2CCC3)C 27a_100000212337_100011240833 [2,0,0,0,0,0|0,1,0]=3 37 B21R3.187818 CSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011240833_100011263217 [2,0,0,0,0,0|1,1,0]=4 38 B21R3.187818 CSc1ccc(cc1)Sc2nc(nc3c2CCC3)C 62a_100011263217_100011240833 [2,0,0,0,0,0|1,1,0]=4 39 B21R3.187818 Cc1nc2c(c(n1)Nc3ccc(cc3)CO)CCC2 27a_100011215238_100011240833 [2,0,0,0,0,0|2,0,0]=4 40 B21R3.183647 C=C(c1ccc(cc1)OC)c2ncnc3c2CCC3 271570a_100010144143_100000750143 [2,0,0,0,0,0|1,0,1]=4 41 B21R3.183647 COc1ccc(cc1)N(C)c2ccnc3c2CCC3 27a_100000220023_100000102697 [2,0,0,0,0,0|1,0,0]=3 42 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2CCC3 27a_100000220023_100000750143 [2,0,0,0,0,0|0,0,0]=2 43 B21R3.183647 COc1ccc(cc1)N(C)c2ncnc3c2CCN3 27a_100000220023_200000104052 [2,0,0,0,0,0|1,0,0]=3 44 B21R3.9421187 C=C(c1ccc(cc1)C)c2nc(nc3c2CCC3)C 271570a_100010895218_100011240833 [2,0,0,0,0,0|1,0,1]=4 45 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Br)CCC2 27a_100000219623_100011240833 [2,0,0,0,0,0|1,0,0]=3 46 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)Cl)CCC2 27a_100020629279_100011240833 [2,0,0,0,0,0|1,0,0]=3 47 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)F)CCC2 27a_100000219829_100011240833 [2,0,0,0,0,0|1,0,0]=3 48 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)I)CCC2 27a_100000743151_100011240833 [2,0,0,0,0,0|1,0,0]=3 49 B21R3.9421187 Cc1nc2c(c(n1)N(C)c3ccc(cc3)O)CCC2 27a_100000182112_100011240833 [2,0,0,0,0,0|0,0,0]=2 50 B23R2.18003499 COc1ccc(cc1I)N(C)c2cc(nc(n2)N)NC(C)C 27a_114948341033_100011228678 [0,1,1,0,0,0|2,0,0]=4 51 B23R2.31884739 CCOc1ccc(cc1)N(C)c2cc(nc(n2)N)NC(C)C 27a_100025784348_100011228678 [0,1,1,0,0,0|2,0,0]=4 52 B23R2.36653854 COc1ccc(cc1)N(C)c2cc(nc(n2)SC)NC(C)C 27a_100000220023_100011935033 [0,1,1,0,0,0|1,0,0]=3 53 B23R2.97565525 COc1ccc(c(c1)C)N(C)c2cc(nc(n2)N)NC(C)C 27a_103496583619_100011228678 [0,1,1,0,0,0|2,0,0]=4 54 B23R3.697643 Cc1nc2c(c(n1)N(C)c3ccc(cc3)C(C)C)CCC2 27a_100000688768_100011240833 [1,1,0,0,0,0|1,0,0]=3 55 B23R3.697643 Cc1nc2c(c(n1)N(C)c3ccc(cc3)[N+](=O)[O-])CCC2 27a_100000156523_100011240833 [1,1,0,0,0,0|2,0,0]=4 56 B23R3.39871496 COc1ccc(cc1I)N(C)c2nc(nc3c2CCC3)C 27a_114948341033_100011240833 [1,1,0,0,0,0|0,0,0]=2 57 B23R3.72664757 CCOc1ccc(cc1)N(C)c2nc(nc3c2CCC3)C 27a_100025784348_100011240833 [1,1,0,0,0,0|0,0,0]=2 58 B23R3.233850921 COc1ccc(c(c1)C)N(C)c2nc(nc3c2CCC3)C 27a_103496583619_100011240833 [1,1,0,0,0,0|0,0,0]=2 59 B23R3.9052471 C=C(c1ccc(cc1)OC)c2nc(nc3c2CCCC3)C 271570a_100010144143_100011467566 [0,0,1,1,0,0|1,0,1]=4 60 B23R3.9052471 COc1ccc(cc1)N(C)c2nc(nc3c2CCCC3)C 27a_100000220023_100011467566 [0,0,1,1,0,0|0,0,0]=2 61 B23R3.9052484 COc1ccc(cc1)N(C)c2cc(nc(n2)N)NC3CC3 27a_100000220023_100011210111 [0,0,1,1,0,0|2,0,0]=4 62 B21R2.6526 COc1ccc(cc1)N(C)c2nc(cnc2C(C)C)C 27a_100000220023_100015629263 [0,0,1,0,1,0|2,0,0]=4 63 B21R2.3435344 C=C(c1ccc(cc1)OC)c2cc(nc(n2)C)C(C)C 271570a_100010144143_100011315409 [0,0,1,0,1,0|1,0,1]=4 64 B21R2.3435344 COc1ccc(cc1)N(C)c2cc(nc(n2)C(C)C)C 27a_100000220023_100000217492 [0,0,1,0,1,0|2,0,0]=4 65 B21R2.3435344 COc1ccc(cc1)N(C)c2cc(nc(n2)C)C(C)C 27a_100000220023_100011315409 [0,0,1,0,1,0|0,0,0]=2 66 B21R2.3435344 COc1ccc(cc1)N(C)c2cc(nc(n2)C)N(C)C 27a_100000220023_200011686424 [0,0,1,0,1,0|1,0,0]=3 67 B21R2.3435344 COc1ccc(cc1)N(C)c2cc(nc(n2)N)C(C)C 27a_100000220023_100000040643 [0,0,1,0,1,0|1,0,0]=3 68 B23R2.5648467 COc1ccc(cc1)CN(C)c2cc(nc(n2)N)NC(C)C 27a_100000184145_100011228678 [0,0,1,0,0,1|2,0,0]=4 69 B23R3.9027339 CCc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000683253_100011240833 [1,0,0,0,0,1|1,0,0]=3 70 B23R3.9027339 COc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_100000184145_100011240833 [1,0,0,0,0,1|0,0,0]=2 71 B23R3.9027339 CSc1ccc(cc1)CN(C)c2nc(nc3c2CCC3)C 27a_102495365258_100011240833 [1,0,0,0,0,1|0,1,0]=3 72 B23R3.9027339 Cc1nc2c(c(n1)N(C)Cc3ccc(cc3)C#N)CCC2 27a_100000217971_100011240833 [1,0,0,0,0,1|2,0,0]=4 73 B23R3.9038404 CCc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_100015186439_100011240833 [1,0,0,0,0,1|2,0,0]=4 74 B23R3.9038404 COc1ccc(cc1)[C@@H](C)Nc2nc(nc3c2CCC3)C 27a_100011830352_100011240833 [1,0,0,0,0,1|1,0,0]=3 75 B23R3.9038404 CSc1ccc(cc1)C(C)Nc2nc(nc3c2CCC3)C 27a_100000738722_100011240833 [1,0,0,0,0,1|1,1,0]=4