0 B35R5.605086454 CC[C@H](Nc1cccc2c1non2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009820244 [0,0,0,0,0,0|3,0,1]=4 1 B35R5.605086454 CC[C@H](Nc1cccc2c1nsn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000742359 [0,0,0,0,0,0|3,0,1]=4 2 B35R5.605086454 CC[C@H](Nc1cccc2n1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009819724 [0,0,0,0,0,0|3,0,1]=4 3 B35R5.605086454 CC[C@H](Nc1cccn2c1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009819722 [0,0,0,0,0,0|3,0,1]=4 4 B35R5.605086454 CC[C@H](Nc1ccnc2c1CCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000102697 [0,0,0,0,0,0|3,0,1]=4 5 B35R5.605086454 CC[C@H](Nc1ccnc2c1[nH]nc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000112858 [0,0,0,0,0,0|3,0,1]=4 6 B35R5.605086454 CC[C@H](Nc1ccnc2c1ccs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009861243 [0,0,0,0,0,0|3,0,0]=3 7 B35R5.605086454 CC[C@H](Nc1ccnc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009820729 [0,0,0,0,0,0|1,0,0]=1 8 B35R5.605086454 CC[C@H](Nc1ccnc2c1nn[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009853804 [0,0,0,0,0,0|2,0,0]=2 9 B35R5.605086454 CC[C@H](Nc1ccnc2c1scc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000764135 [0,0,0,0,0,0|3,0,0]=3 10 B35R5.605086454 CC[C@H](Nc1ccnc2n1ncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000080991 [0,0,0,0,0,0|3,0,0]=3 11 B35R5.605086454 CC[C@H](Nc1nc[nH]c-2nccc12)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100015350423 [0,0,0,0,0,0|1,0,2]=3 12 B35R5.605086454 CC[C@H](Nc1nccc2c1[nH]nc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009852419 [0,0,0,0,0,0|3,0,1]=4 13 B35R5.605086454 CC[C@H](Nc1nccc2c1c[nH]n2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100020876377 [0,0,0,0,0,0|3,0,1]=4 14 B35R5.605086454 CC[C@H](Nc1nccc2c1cco2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000041166 [0,0,0,0,0,0|3,0,0]=3 15 B35R5.605086454 CC[C@H](Nc1nccc2c1ccs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000047778 [0,0,0,0,0,0|3,0,0]=3 16 B35R5.605086454 CC[C@H](Nc1nccc2c1scc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000117209 [0,0,0,0,0,0|3,0,0]=3 17 B35R5.605086454 CC[C@H](Nc1nccn2c1ccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094558 [0,0,0,0,0,0|4,0,0]=4 18 B35R5.605086454 CC[C@H](Nc1nccn2c1ccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009846796 [0,0,0,0,0,0|3,0,1]=4 19 B35R5.605086454 CC[C@H](Nc1nccn2c1ncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_102495338505 [0,0,0,0,0,0|3,0,0]=3 20 B35R5.605086454 CC[C@H](Nc1nccn2c1ncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094309 [0,0,0,0,0,0|2,0,1]=3 21 B35R5.605086454 CC[C@H](Nc1nccn2c1nnc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000757256 [0,0,0,0,0,0|4,0,0]=4 22 B35R5.605086454 CC[C@H](Nc1ncnc2c1CCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000750143 [0,0,0,0,0,0|2,0,1]=3 23 B35R5.605086454 CC[C@H](Nc1ncnc2c1CCN2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_200000104052 [0,0,0,0,0,0|1,0,1]=2 24 B35R5.605086454 CC[C@H](Nc1ncnc2c1[nH]cc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000084117 [0,0,0,0,0,0|1,0,1]=2 25 B35R5.605086454 CC[C@H](Nc1ncnc2c1[nH]cn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011215200 [0,0,0,0,0,0|0,0,2]=2 26 B35R5.605086454 CC[C@H](Nc1ncnc2c1cco2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000094286 [0,0,0,0,0,0|2,0,0]=2 27 B35R5.605086454 CC[C@H](Nc1ncnc2c1ccs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000183654 [0,0,0,0,0,0|2,0,0]=2 28 B35R5.605086454 CC[C@H](Nc1ncnc2c1cn[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000735611 [0,0,0,0,0,0|2,0,0]=2 29 B35R5.605086454 CC[C@H](Nc1ncnc2c1ncs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009860286 [0,0,0,0,0,0|1,0,0]=1 30 B35R5.605086454 CC[C@H](Nc1ncnc2c1scc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000234879 [0,0,0,0,0,0|2,0,0]=2 31 B35R5.605086454 CC[C@H](Nc1ncnn2c1ccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000104113 [0,0,0,0,0,0|3,0,0]=3 32 B34R5.606159915 C[C@H](Nc1ccnc2c1nc[nH]2)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100009820729 [1,0,0,0,0,0|2,1,0]=4 33 B34R5.606159915 C[C@H](Nc1ncnc2c1ncs2)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100009860286 [1,0,0,0,0,0|2,1,0]=4 34 B36R5.568812764 CC[C@H](Nc1cc(nc2c1cn[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_103551249018 [0,1,0,0,0,0|3,0,0]=4 35 B36R5.568812764 CC[C@H](Nc1cc(nc2n1ncn2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000195393 [0,1,0,0,0,0|2,0,1]=4 36 B36R5.568812764 CC[C@H](Nc1nc([nH]c-2nccc12)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000068727 [0,1,0,0,0,0|1,0,2]=4 37 B36R5.568812764 CC[C@H](Nc1nc(nc2c1CCC2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011240833 [0,1,0,0,0,0|2,0,1]=4 38 B36R5.568812764 CC[C@H](Nc1nc(nc2c1[nH]cn2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000764887 [0,1,0,0,0,0|0,0,2]=3 39 B36R5.568812764 CC[C@H](Nc1nc(nc2c1c[nH]n2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000068426 [0,1,0,0,0,0|2,0,1]=4 40 B36R5.568812764 CC[C@H](Nc1nc(nc2c1cc[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000092993 [0,1,0,0,0,0|1,0,0]=2 41 B36R5.568812764 CC[C@H](Nc1nc(nc2c1ccs2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000183124 [0,1,0,0,0,0|2,0,0]=3 42 B36R5.568812764 CC[C@H](Nc1nc(nc2c1cn[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000745003 [0,1,0,0,0,0|2,0,0]=3 43 B36R5.568812764 CC[C@H](Nc1nc(nc2c1nc[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000061921 [0,1,0,0,0,0|0,0,0]=1 44 B36R5.568812764 CC[C@H](Nc1nc(nc2c1scc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100012000418 [0,1,0,0,0,0|2,0,0]=3 45 B36R5.668026448 CC[C@H](Nc1ccnc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010168893 [0,1,0,0,0,0|2,0,0]=3 46 B36R5.668026448 CC[C@H](Nc1ccnc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100013479686 [0,1,0,0,0,0|3,0,0]=4 47 B36R5.668026448 CC[C@H](Nc1nccc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000048735 [0,1,0,0,0,0|2,0,0]=3 48 B36R5.668026448 CC[C@H](Nc1nccc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100015332818 [0,1,0,0,0,0|3,0,0]=4 49 B36R5.668026448 CC[C@H](Nc1nccc2c1ncn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000075535 [0,1,0,0,0,0|1,0,0]=2 50 B36R5.668026448 CC[C@H](Nc1ncnc2c1ccn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000076352 [0,1,0,0,0,0|1,0,0]=2 51 B36R5.668026448 CC[C@H](Nc1ncnc2c1cnn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000242733 [0,1,0,0,0,0|2,0,0]=3 52 B36R5.668026448 CC[C@H](Nc1ncnc2c1ncn2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000058137 [0,1,0,0,0,0|0,0,0]=1 53 B36R5.668026448 CC[C@H](Nc1ncnc2c1scc2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000041020 [0,1,0,0,0,0|2,0,0]=3 54 B36R5.668060396 CC[C@H](Nc1nccc2c1nn(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010890759 [0,1,0,0,0,0|3,0,0]=4 55 B36R5.668060396 CC[C@H](Nc1nccn2c1nc(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098434 [0,1,0,0,0,0|3,0,0]=4 56 B36R5.668060396 CC[C@H](Nc1nccn2c1nc(n2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009987088 [0,1,0,0,0,0|2,0,1]=4 57 B36R5.668060396 CC[C@H](Nc1ncnc2c1cc([nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847220 [0,1,0,0,0,0|1,0,0]=2 58 B36R5.668060396 CC[C@H](Nc1ncnc2c1cc(s2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000753035 [0,1,0,0,0,0|2,0,0]=3 59 B36R5.668060396 CC[C@H](Nc1ncnc2c1sc(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_200009846640 [0,1,0,0,0,0|2,0,0]=3 60 B36R5.668065002 CC[C@H](Nc1ncnc2c1c(c[nH]2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000092391 [0,1,0,0,0,0|1,0,0]=2 61 B36R5.668065002 CC[C@H](Nc1ncnc2c1c(c[nH]2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009880486 [0,1,0,0,0,0|1,0,0]=2 62 B36R5.668065002 CC[C@H](Nc1ncnc2c1c(cs2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000040732 [0,1,0,0,0,0|2,0,0]=3 63 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(cc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847513 [0,1,0,0,0,0|1,0,1]=3 64 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(cn2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000078800 [0,1,0,0,0,0|0,0,2]=3 65 B36R5.668065002 CC[C@H](Nc1ncnc2c1n(nc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098498 [0,1,0,0,0,0|2,0,1]=4 66 B34R4.43668962 CC[C@H](Nc1ncnc(c1C#N)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000086035 [0,0,1,0,0,0|2,0,0]=3 67 B34R4.43668962 CC[C@H](Nc1ncnc(c1OC)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011998528 [0,0,1,0,0,0|1,0,1]=3 68 B34R4.539483868 CCNc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000242512 [0,0,1,0,0,0|1,0,1]=3 69 B34R4.539483868 CCOc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000765465 [0,0,1,0,0,0|2,0,1]=4 70 B34R4.539483868 CC[C@H](Nc1cc(ncn1)COC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000688101 [0,0,1,0,0,0|3,0,0]=4 71 B34R4.731656076 CC[C@H](Nc1ncnc(c1C)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011913118 [0,0,1,0,0,0|1,0,1]=3 72 B34R4.731656076 CC[C@H](Nc1ncnc(c1C)OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011912725 [0,0,1,0,0,0|2,0,1]=4 73 B34R4.731656076 CCc1ncnc(c1F)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000685531 [0,0,1,0,0,0|2,0,1]=4 74 B36R5.565427119 CC[C@H](NCc1cccc2c1ncs2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 2230a_100015191258_100010883896 [0,0,0,0,0,1|3,0,0]=4 75 B36R5.668038401 CC[C@H](Nc1cccc2c1cncn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009814520 [0,0,0,0,0,1|2,0,1]=4 76 B36R5.668038401 CC[C@H](Nc1cccc2c1nccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010003881 [0,0,0,0,0,1|2,0,1]=4 77 B36R5.668038401 CC[C@H](Nc1cccc2c1ncnc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010246313 [0,0,0,0,0,1|2,0,1]=4 78 B36R5.668038401 CC[C@H](Nc1ccnc2c1cccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011215880 [0,0,0,0,0,1|3,0,0]=4 79 B36R5.668038401 CC[C@H](Nc1ccnc2c1cccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000087570 [0,0,0,0,0,1|2,0,1]=4 80 B36R5.668038401 CC[C@H](Nc1ccnc2c1cncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000095135 [0,0,0,0,0,1|2,0,0]=3 81 B36R5.668038401 CC[C@H](Nc1ccnc2c1nccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010783457 [0,0,0,0,0,1|1,0,1]=3 82 B36R5.668038401 CC[C@H](Nc1nccc2c1cccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011934041 [0,0,0,0,0,1|3,0,0]=4 83 B36R5.668038401 CC[C@H](Nc1nccc2c1cccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000077681 [0,0,0,0,0,1|2,0,1]=4 84 B36R5.668038401 CC[C@H](Nc1nccc2c1cncc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000116921 [0,0,0,0,0,1|2,0,0]=3 85 B36R5.668038401 CC[C@H](Nc1nccc2c1nccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010063729 [0,0,0,0,0,1|2,0,0]=3 86 B36R5.668038401 CC[C@H](Nc1nccc2c1nccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010063732 [0,0,0,0,0,1|1,0,1]=3 87 B36R5.668038401 CC[C@H](Nc1ncnc2c1CCCC2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011467579 [0,0,0,0,0,1|2,0,1]=4 88 B36R5.668038401 CC[C@H](Nc1ncnc2c1cccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000217608 [0,0,0,0,0,1|2,0,0]=3 89 B36R5.668038401 CC[C@H](Nc1ncnc2c1cccn2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000026734 [0,0,0,0,0,1|1,0,1]=3 90 B36R5.668038401 CC[C@H](Nc1ncnc2c1ccnc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000098430 [0,0,0,0,0,1|1,0,1]=3 91 B36R5.668038401 CC[C@H](Nc1ncnc2c1nccc2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000063688 [0,0,0,0,0,1|1,0,0]=2 92 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011438038 [1,0,1,0,0,0|1,0,1]=4 93 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011913465 [1,0,1,0,0,0|0,0,1]=3 94 B33R4.74227714 CC[C@H](Nc1ncnc(c1C)O)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011912821 [1,0,1,0,0,0|1,0,1]=4 95 B33R4.74227714 CC[C@H](Nc1ncnc(c1F)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011671633 [1,0,1,0,0,0|1,0,1]=4 96 B33R4.74227714 CC[C@H](Nc1ncnc(c1F)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000126652 [1,0,1,0,0,0|1,0,0]=3 97 B33R4.98352773 CC[C@H](Nc1ncncc1C#N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000687955 [1,0,1,0,0,0|0,0,2]=4 98 B33R4.98352773 CC[C@H](Nc1ncncc1OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100012001275 [1,0,1,0,0,0|1,0,1]=4 99 B33R4.98352773 CCc1cncnc1N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000100055 [1,0,1,0,0,0|1,0,1]=4 100 B33R4.418801706 CC[C@H](Nc1cc(ncn1)C#N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000092509 [1,0,1,0,0,0|0,0,2]=4 101 B33R4.418801706 CC[C@H](Nc1cc(ncn1)CO)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000731546 [1,0,1,0,0,0|1,0,1]=4 102 B33R4.418801706 CC[C@H](Nc1cc(ncn1)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000756605 [1,0,1,0,0,0|0,0,1]=3 103 B33R4.418801706 CC[C@H](Nc1cc(ncn1)NN)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000242035 [1,0,1,0,0,0|0,0,1]=3 104 B33R4.418801706 CC[C@H](Nc1cc(ncn1)OC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000049997 [1,0,1,0,0,0|1,0,1]=4 105 B33R4.418801706 CC[C@H](Nc1cc(ncn1)SC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011443430 [1,0,1,0,0,0|1,0,1]=4 106 B33R4.418801706 CCc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100000744278 [1,0,1,0,0,0|1,0,1]=4 107 B35R4.194451182 CC[C@H](Nc1nc(nc(c1C#N)N)N)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100010978646 [0,1,1,0,0,0|2,0,0]=4 108 B35R4.958240824 CC[C@H](Nc1ncnc(c1C=O)NC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200012279091 [0,1,1,0,0,0|2,0,0]=4 109 B35R4.85006284 CC[C@H](Nc1cc(ncn1)NC(C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443281 [0,1,1,0,0,0|1,0,1]=4 110 B35R4.439306246 CC[C@H](Nc1cc(ncn1)N(C)CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443306 [0,1,1,0,0,0|1,0,1]=4 111 B35R4.452625411 CCCNc1cc(ncn1)N[C@@H](CC)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_100011443280 [0,1,1,0,0,0|1,0,1]=4 112 B35R4.452625411 CC[C@H](Nc1cc(ncn1)NCCO)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200011443279 [0,1,1,0,0,0|1,0,1]=4 113 B35R4.85108795 CC[C@H](Nc1ncnc(c1N)N(C)C)c2nc3cccc(c3c(=O)n2c4ccccc4)F 27a_100015191258_200000684581 [0,1,1,0,0,0|0,0,2]=4 114 B35R5.689092981 C[C@H](Nc1ncnc2c1ncn2C)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100000058137 [1,1,0,0,0,0|1,1,0]=4 115 B35R5.689093122 C[C@H](Nc1nc(nc2c1nc[nH]2)F)c3cc4cccc(c4c(=O)n3c5ccccc5)Cl 27a_100025715812_100000061921 [1,1,0,0,0,0|1,1,0]=4 116 B37R5.576506637 CC[C@H](NC(=O)c1cccc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 240690a_100015191258_100000691283 [0,1,0,0,0,1|2,0,0]=4 117 B37R5.576506637 CC[C@H](NC(=O)c1cccc2c1nc[nH]2)c3nc4cccc(c4c(=O)n3c5ccccc5)F 527a_100015191258_100000691283 [0,1,0,0,0,1|2,0,0]=4 118 B37R5.605959628 CC[C@H](Nc1nc(cc2c1nccc2)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010205410 [0,1,0,0,0,1|2,0,0]=4 119 B37R5.605959628 CC[C@H](Nc1nc(nc2c1cccc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000230251 [0,1,0,0,0,1|2,0,0]=4 120 B37R5.728497058 CC[C@H](Nc1ccnc2c1ncc(c2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100011072215 [0,1,0,0,0,1|2,0,0]=4 121 B37R5.728497058 CC[C@H](Nc1ncnc2c1ccc(c2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000099684 [0,1,0,0,0,1|2,0,0]=4 122 B37R5.728497058 CC[C@H](Nc1ncnc2c1ccc(c2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000230349 [0,1,0,0,0,1|2,0,0]=4 123 B37R5.728501092 CC[C@H](Nc1cccc2c1nc[nH]c2=O)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000741247 [0,1,0,0,0,1|2,0,0]=4 124 B37R5.728501092 CC[C@H](Nc1ccnc2c1nccc2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_200013369187 [0,1,0,0,0,1|2,0,0]=4 125 B37R5.728501092 CC[C@H](Nc1ncnc2c1cccc2C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000751292 [0,1,0,0,0,1|2,0,0]=4 126 B37R5.728501092 CC[C@H](Nc1ncnc2c1cccc2F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000693626 [0,1,0,0,0,1|2,0,0]=4 127 B37R5.1139382028 CC[C@H](Nc1ncnc2c1c(ccc2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000743342 [0,1,0,0,0,1|2,0,0]=4 128 B37R5.1139451608 CC[C@H](Nc1ccnc2c1nc(cc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009889967 [0,1,0,0,0,1|2,0,0]=4 129 B37R5.1139451608 CC[C@H](Nc1ccnc2c1nc(cc2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000719316 [0,1,0,0,0,1|2,0,0]=4 130 B37R5.1139451608 CC[C@H](Nc1ncnc2c1cc(cc2)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000743341 [0,1,0,0,0,1|2,0,0]=4 131 B37R5.1139451608 CC[C@H](Nc1ncnc2c1cc(cc2)F)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000743340 [0,1,0,0,0,1|2,0,0]=4 132 B37R5.389657514 CC[C@H](Nc1nc(nc2c1cc[nH]2)SC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000090414 [0,2,0,0,0,0|1,0,0]=3 133 B37R5.389657514 CC[C@H](Nc1nc(nc2c1scc2)SC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100012339926 [0,2,0,0,0,0|2,0,0]=4 134 B37R5.389657514 CC[C@H](Nc1nc(nc2n1ncc2)SC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100010188542 [0,2,0,0,0,0|2,0,0]=4 135 B37R5.389657514 CCc1nc(c2ccsc2n1)N[C@@H](CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_200000693752 [0,2,0,0,0,0|2,0,0]=4 136 B37R5.997866632 CC[C@H](Nc1nc(cc2c1ncn2C)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000091626 [0,2,0,0,0,0|1,0,0]=3 137 B37R5.997866632 CC[C@H](Nc1nc(nc2c1cnn2C)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000743007 [0,2,0,0,0,0|2,0,0]=4 138 B37R5.997866632 CC[C@H](Nc1nc(nc2c1cnn2C)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000144275 [0,2,0,0,0,0|2,0,0]=4 139 B37R5.997866632 CC[C@H](Nc1nc(nc2c1ncn2C)N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000708713 [0,2,0,0,0,0|0,0,0]=2 140 B37R5.800636352 CC[C@H](Nc1c(cnc2c1cc[nH]2)C#N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000097403 [0,2,0,0,0,0|2,0,0]=4 141 B37R5.49264149 CC[C@H](Nc1ncnc2c1ncn2CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000058139 [0,2,0,0,0,0|0,0,0]=2 142 B37R5.398608113 CCc1cc2c(ncnc2s1)N[C@@H](CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000183878 [0,2,0,0,0,0|2,0,0]=4 143 B37R5.1139458460 CC[C@H](Nc1ncnc2c1c(c(s2)C)C)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000183246 [0,2,0,0,0,0|2,0,0]=4 144 B37R5.1112928165 CC[C@H](Nc1ncnc2c1c(c[nH]2)C#N)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009847449 [0,2,0,0,0,0|1,0,0]=3 145 B37R5.1112928165 CCc1c[nH]c2c1c(ncn2)N[C@@H](CC)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100009876448 [0,2,0,0,0,0|1,0,0]=3 146 B35R5.240907314 CC[C@H](Nc1cc2ncnn2cn1)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000101099 [0,0,1,1,0,0|0,0,2]=4 147 B35R5.240907314 CC[C@H](Nc1ncc2nc[nH]c2n1)c3nc4cccc(c4c(=O)n3c5ccccc5)F 27a_100015191258_100000009038 [0,0,1,1,0,0|2,0,0]=4