0 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-2244278016 [0,0,0,0,0,0|1,0,0]=1 1 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N MCULE-8299609975 [0,0,0,0,0,0|0,0,0]=0 2 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-])N MCULE-8925607894 [0,0,0,0,0,0|0,0,1]=1 3 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1069912015 [0,0,0,0,0,0|0,0,0]=0 4 B34R3.3454851072 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-2354008660 [0,0,0,0,0,0|0,0,0]=0 5 B34R3.3454851072 NC1=NC(=C2NC(CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1267383042 [0,0,0,0,0,0|0,0,4]=4 6 B34R3.3454851072 NC1=NC(=O)C2=C(N1)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7474091744 [0,0,0,0,0,0|1,0,1]=2 7 B34R3.3454851072 NC1=NC(=O)C2=CC(=CC=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7267973978 [0,0,0,0,0,0|3,0,1]=4 8 B34R3.3454851072 NC1=NC(=O)C2=CC(=CN=C2N1)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6110612186 [0,0,0,0,0,0|3,0,1]=4 9 B34R3.3454851072 NC1=NC(=O)C2=NC(=CC=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4907674207 [0,0,0,0,0,0|2,0,1]=3 10 B34R3.3454851072 NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-6405521916 [0,0,0,0,0,0|1,0,2]=3 11 B34R3.3454851072 NC1=NC(=O)C2=NC(=CN=C2N1)CSC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2223434182 [0,0,0,0,0,0|2,0,1]=3 12 B34R3.3454851072 NC1=NC(C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-7038860131 [0,0,0,0,0,0|0,0,2]=2 13 B34R3.3454851072 NC1=NC2=C(C=C(C=C2)/N=N/C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=N1)N MCULE-2774265327 [0,0,0,0,0,0|3,0,1]=4 14 B34R3.3454851072 NC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=N1)N MCULE-2100742168 [0,0,0,0,0,0|2,0,0]=2 15 B34R3.3454851072 NC1=NC2=C(N=C(CN2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1 MCULE-1554368727 [0,0,0,0,0,0|1,0,3]=4 16 B34R3.3454851072 NC1=NC2=C(N=C(CN2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1 MCULE-2858954281 [0,0,0,0,0,0|1,0,3]=4 17 B34R3.3454851072 NC1=NC2=C(N=C(CN2)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1 MCULE-9013903945 [0,0,0,0,0,0|1,0,3]=4 18 B34R3.3454851072 NC1=NC2=NC=C(C=C2C(=N1)N)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4760378978 [0,0,0,0,0,0|2,0,0]=2 19 B34R3.3454851072 NC1=NC2=NC=C(N=C2C(=N1)O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-3509109723 [0,0,0,0,0,0|1,0,0]=1 20 B34R3.3454851072 NC1=NC2N=CC(=NC2C(=O)N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-5386553757 [0,0,0,0,0,0|1,0,3]=4 21 B34R3.3454851072 [C@@H](CCC(=O)O)(NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C2)N=C(N=C3O)N)C(=O)O MCULE-1208976029 [0,0,0,0,0,0|1,0,0]=1 22 B35R3.1317093260 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N=C2)NC(=NC3=O)N)C(=O)O MCULE-2913641076 [0,1,0,0,0,0|1,0,1]=3 23 B35R3.2202618018 CC(NC1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C2=CN=C3N=C(N=C(C3=N2)O)N MCULE-3414871279 [0,1,0,0,0,0|1,0,0]=2 24 B35R3.2202630712 CC(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6413730634 [0,1,0,0,0,0|1,0,0]=2 25 B35R3.2202630712 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)O MCULE-6974182260 [0,1,0,0,0,0|1,0,0]=2 26 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2857428714 [0,1,0,0,0,0|0,0,0]=1 27 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-] MCULE-1613320230 [0,1,0,0,0,0|0,0,1]=2 28 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O MCULE-7316135330 [0,1,0,0,0,0|0,0,1]=2 29 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-4647497000 [0,1,0,0,0,0|0,0,2]=3 30 B35R3.2202630712 CN(CC1=NC2=C(N=C(N=C2N=C1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] MCULE-7892846158 [0,1,0,0,0,0|0,0,2]=3 31 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O MCULE-3234195945 [0,1,0,0,0,0|0,0,0]=1 32 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)[O-] MCULE-7826660553 [0,1,0,0,0,0|0,0,1]=2 33 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] MCULE-2579968152 [0,1,0,0,0,0|0,0,2]=3 34 B35R3.2202630712 CN(CC1=NC2=C(N=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6523054194 [0,1,0,0,0,0|0,0,0]=1 35 B35R3.2202630712 CN(CC1=NC2=C(N=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-1245907778 [0,1,0,0,0,0|1,0,1]=3 36 B35R3.2202630712 CN(CC1=NC2=C(N=C1)NC(=NC2=O)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8524921670 [0,1,0,0,0,0|1,0,1]=3 37 B35R3.3548679191 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-1036313284 [0,1,0,0,0,0|0,0,0]=1 38 B35R3.3548680200 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C(=C3)F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9332785329 [0,1,0,0,0,0|0,0,0]=1 39 B35R3.4834642635 CC1=C(C=CC2=NC(=NC(=C12)N)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O MCULE-4023416734 [0,1,0,0,0,0|2,0,0]=3 40 B33R3.846650237 NC1=NC(=C2N=C(C=NC2=N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O)N MCULE-4251498352 [0,0,0,0,1,0|0,0,0]=1 41 B35R3.2202633657 NC1=NC(=C2N=C(C=NC2=N1)CCOC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9514905506 [0,0,0,0,0,1|1,0,0]=2 42 B35R3.2202633657 NC1=NC(=C2N=C(C=NC2=N1)CCSC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N MCULE-9268597919 [0,0,0,0,0,1|1,0,0]=2 43 B35R3.2202633657 NC1=NC(=O)C2=NC(=CC=C2N1)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3404299664 [0,0,0,0,0,1|2,0,1]=4 44 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-2844157004 [0,0,0,0,0,1|2,0,1]=4 45 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8210438697 [0,0,0,0,0,1|1,0,1]=3 46 B35R3.2202633657 NC1=NC(=O)C2=NC(=CN=C2N1)CCOC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-3885919295 [0,0,0,0,0,1|2,0,1]=4 47 B35R3.3548679199 [C@H](CCC(=O)O)(CC(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3N=C(N=C(C3=N2)O)N MCULE-9879752694 [0,0,0,0,0,1|1,0,0]=2 48 B34R3.2870406767 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCCN)C(=O)O MCULE-5356920200 [1,1,0,0,0,0|1,0,1]=4 49 B34R3.3454814589 CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C2=CN=C3N=C(N=C(C3=N2)N)N MCULE-6101707133 [0,1,0,0,1,0|0,0,1]=3 50 B34R3.3454814589 CN(C1=CC=C(C=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)[O-])C2=CN=C3N=C(N=C(C3=N2)N)N MCULE-9757751834 [0,1,0,0,1,0|0,0,1]=3 51 B34R3.6043397898 NC1=NC2=CC=C(C(=C2C(=N1)N)Cl)CNC3=CC=C(C=C3)C(=O)N[C@@H](CC(=O)O)C(=O)O MCULE-1652686369 [0,1,0,0,1,0|2,0,0]=4 52 B34R3.3456281207 CN(CC1=NC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7275160450 [0,1,0,0,1,0|0,0,1]=3 53 B36R3.7852247315 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)CCl)C(=O)O MCULE-1308064758 [0,2,0,0,0,0|1,0,0]=3 54 B36R3.7852247315 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3N=C(N=C(C3=N2)N)N)C(=O)O MCULE-1497807824 [0,2,0,0,0,0|0,0,0]=2 55 B36R3.7852247315 COC(=O)CC[C@H](NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N)C(=O)O MCULE-8555503951 [0,2,0,0,0,0|0,0,0]=2 56 B36R3.5678879766 CC(C1=CN=C2N=C(N=C(C2=N1)N)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9973899309 [0,2,0,0,0,0|0,0,0]=2 57 B36R3.5678879766 CC(C1=NC2=C(N=C1)NC(=NC2=O)N)N(C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-7362934600 [0,2,0,0,0,0|1,0,1]=4 58 B36R3.12284678226 CN(CC1=NC2=C(N=C(N=C2N)N)N=C1O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-6059823779 [0,2,0,0,0,0|0,0,0]=2 59 B36R3.12284678226 CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8288989503 [0,2,0,0,0,0|0,0,1]=3 60 B36R3.12411075094 CN(CC1=CN=C2N=C(N=C(C2=N1)N)N)C3=CC=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-8681423907 [0,2,0,0,0,0|0,0,0]=2 61 B36R3.13912542520 NC1=NC(=O)C2=NC(=CN=C2N1)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-9962838974 [0,2,0,0,0,0|1,0,1]=4 62 B36R3.13912542520 NC1=NC2=C(N=C(C=N2)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1 MCULE-5410519471 [0,2,0,0,0,0|1,0,1]=4 63 B36R3.13912542520 NC1=NC2=NC=C(N=C2C(=O)N1)CN(C=O)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O MCULE-4112735773 [0,2,0,0,0,0|1,0,1]=4 64 B36R3.14631542133 COC(=O)C(CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N MCULE-8377922886 [0,2,0,0,0,0|0,0,0]=2 65 B36R3.14631542133 COC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C(N=C3N=C2)N)N MCULE-1055024562 [0,2,0,0,0,0|0,0,0]=2 66 B36R3.14631542133 COC(=O)[C@H](CCC(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=NC3=C(N=C2)N=C(N=C3N)N MCULE-7246795241 [0,2,0,0,0,0|0,0,0]=2 67 B36R3.18037610262 NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N(N=O)[C@@H](CCC(=O)O)C(=O)O MCULE-1686683091 [0,2,0,0,0,0|1,0,1]=4