0 B22R3.380577 Cc1nc(c2c(cccc2n1)C#Cc3ccccc3)O 271570a_100000069678_200010988834 [0,0,0,0,0,0|3,0,1]=4 1 B22R3.380577 Cc1nc(c2c(cccc2n1)C=Cc3ccccc3)O 271570a_100102527694_200010988834 [0,0,0,0,0,0|3,0,1]=4 2 B22R3.380577 Cc1nc(c2c(cccc2n1)NCc3ccccc3)O 27a_100015324214_200010988834 [0,0,0,0,0,0|3,0,0]=3 3 B22R3.380577 Cc1nc(c2c(cccc2n1)NCc3ccccn3)O 27a_100000210449_200010988834 [0,0,0,0,0,0|4,0,0]=4 4 B22R3.380577 Cc1nc(c2c(cccc2n1)NCc3cccnc3)O 27a_100000210453_200010988834 [0,0,0,0,0,0|4,0,0]=4 5 B22R3.380577 Cc1nc(c2c(cccc2n1)NCc3ccncc3)O 27a_100000210450_200010988834 [0,0,0,0,0,0|4,0,0]=4 6 B22R3.380577 Cc1nc2cccc(c2c(=O)o1)NCc3ccccc3 27a_100015324214_200010128068 [0,0,0,0,0,0|4,0,0]=4 7 B22R3.380577 Cc1nc2cccc(c2c(=O)o1)SCc3ccccc3 62a_100000211182_200010128068 [0,0,0,0,0,0|3,1,0]=4 8 B22R3.380577 Nc1nc(c2c(cccc2n1)C#Cc3ccccc3)N 271570a_100000069678_200011217714 [0,0,0,0,0,0|1,0,1]=2 9 B22R3.380577 Nc1nc(c2c(cccc2n1)C=Cc3ccccc3)N 271570a_100102527694_200011217714 [0,0,0,0,0,0|1,0,1]=2 10 B22R3.380577 Nc1nc(c2c(cccc2n1)C=Cc3cccnc3)N 271570a_100102525586_200011217714 [0,0,0,0,0,0|2,0,1]=3 11 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3ccccc3)N 62a_200011217714_100015291786 [0,0,0,0,0,0|0,1,0]=1 12 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3ccccn3)N 62a_200011217714_100000721315 [0,0,0,0,0,0|1,1,0]=2 13 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3cccnc3)N 62a_200011217714_100000741622 [0,0,0,0,0,0|1,1,0]=2 14 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3cccnn3)N 62a_200011217714_100016990269 [0,0,0,0,0,0|2,1,0]=3 15 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3ccncc3)N 62a_200011217714_100015193705 [0,0,0,0,0,0|1,1,0]=2 16 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3cnccn3)N 62a_200011217714_100016995436 [0,0,0,0,0,0|2,1,0]=3 17 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3cncnc3)N 62a_200011217714_100015196519 [0,0,0,0,0,0|2,1,0]=3 18 B22R3.380577 Nc1nc(c2c(cccc2n1)SCc3ncccn3)N 62a_200011217714_100000703007 [0,0,0,0,0,0|2,1,0]=3 19 B21R3.8413 Brc1ccc2c(cccc2c1)OCc3ccccc3 34a_100010202202_100015291786 [1,0,0,0,0,0|3,0,0]=4 20 B21R3.8413 Brc1ccc2c(cccc2c1)OCc3ccccc3 7a_100010202202_100000211182 [1,0,0,0,0,0|3,0,0]=4 21 B21R3.8413 Cc1ccc2c(cccc2n1)NCc3ccccc3 207a_106741707140_100015611070 [1,0,0,0,0,0|3,0,0]=4 22 B21R3.8413 Cc1ccc2c(cccc2n1)NCc3ccccc3 27a_100015324214_100010173736 [1,0,0,0,0,0|3,0,0]=4 23 B21R3.8413 Cc1ccc2c(cccc2n1)NCc3ccccc3 34a_106741707140_100015291786 [1,0,0,0,0,0|3,0,0]=4 24 B21R3.8413 Cc1ccc2c(cccc2n1)SCc3ccccc3 62a_100000211182_100010173736 [1,0,0,0,0,0|2,1,0]=4 25 B21R3.8413 Cc1ccc2c(cccc2n1)SCc3ccccc3 62a_100010173736_100015291786 [1,0,0,0,0,0|2,1,0]=4 26 B21R3.8413 Fc1ccc2c(cccc2c1)OCc3ccccc3 34a_100009846233_100015291786 [1,0,0,0,0,0|3,0,0]=4 27 B21R3.8413 Fc1ccc2c(cccc2c1)OCc3ccccc3 7a_100009846233_100000211182 [1,0,0,0,0,0|3,0,0]=4 28 B21R3.8413 Nc1cc2cccc(c2cn1)C#Cc3ccccc3 271570a_100000069678_100010201637 [1,0,0,0,0,0|2,0,1]=4 29 B21R3.8413 Nc1cc2cccc(c2cn1)C=Cc3ccccc3 271570a_100102527694_100010201637 [1,0,0,0,0,0|2,0,1]=4 30 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccccc3 62a_100000211182_100010201637 [1,0,0,0,0,0|1,1,0]=3 31 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccccc3 62a_100010201637_100015291786 [1,0,0,0,0,0|1,1,0]=3 32 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccccn3 62a_100000721315_100010201637 [1,0,0,0,0,0|2,1,0]=4 33 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccccn3 62a_100010201637_100000721315 [1,0,0,0,0,0|2,1,0]=4 34 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3cccnc3 62a_100000741622_100010201637 [1,0,0,0,0,0|2,1,0]=4 35 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3cccnc3 62a_100010201637_100000741622 [1,0,0,0,0,0|2,1,0]=4 36 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccncc3 62a_100010201637_100015193705 [1,0,0,0,0,0|2,1,0]=4 37 B21R3.8413 Nc1cc2cccc(c2cn1)SCc3ccncc3 62a_100015193705_100010201637 [1,0,0,0,0,0|2,1,0]=4 38 B21R3.8413 Nc1ccc2c(cccc2c1)OCc3ccccc3 34a_100000035793_100015291786 [1,0,0,0,0,0|2,0,0]=3 39 B21R3.8413 Nc1ccc2c(cccc2c1)OCc3ccccn3 34a_100000035793_100000721315 [1,0,0,0,0,0|3,0,0]=4 40 B21R3.8413 Nc1ccc2c(cccc2c1)OCc3cccnc3 34a_100000035793_100000733263 [1,0,0,0,0,0|3,0,0]=4 41 B21R3.8413 Nc1ccc2c(cccc2n1)C#Cc3ccccc3 271570a_100000069678_100000723655 [1,0,0,0,0,0|2,0,1]=4 42 B21R3.8413 Nc1ccc2c(cccc2n1)C=Cc3ccccc3 271570a_100102527694_100000723655 [1,0,0,0,0,0|2,0,1]=4 43 B21R3.8413 Nc1ccc2c(cccc2n1)SCc3ccccc3 62a_100000723655_100015291786 [1,0,0,0,0,0|1,1,0]=3 44 B21R3.8413 Nc1ccc2c(cccc2n1)SCc3ccccn3 62a_100000723655_100000721315 [1,0,0,0,0,0|2,1,0]=4 45 B21R3.8413 Nc1ccc2c(cccc2n1)SCc3cccnc3 62a_100000723655_100000741622 [1,0,0,0,0,0|2,1,0]=4 46 B21R3.8413 Nc1ccc2c(cccc2n1)SCc3ccncc3 62a_100000723655_100015193705 [1,0,0,0,0,0|2,1,0]=4 47 B21R3.8413 Nc1ncc2c(cccc2n1)C#Cc3ccccc3 271570a_100000069678_100010209551 [1,0,0,0,0,0|1,0,1]=3 48 B21R3.8413 Nc1ncc2c(cccc2n1)C=Cc3ccccc3 271570a_100102527694_100010209551 [1,0,0,0,0,0|1,0,1]=3 49 B21R3.8413 Nc1ncc2c(cccc2n1)C=Cc3cccnc3 271570a_100102525586_100010209551 [1,0,0,0,0,0|2,0,1]=4 50 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ccccc3 27a_100015324214_100010209551 [1,0,0,0,0,0|1,0,0]=2 51 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ccccn3 27a_100000210449_100010209551 [1,0,0,0,0,0|2,0,0]=3 52 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3cccnc3 27a_100000210453_100010209551 [1,0,0,0,0,0|2,0,0]=3 53 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3cccnn3 27a_100159270163_100010209551 [1,0,0,0,0,0|3,0,0]=4 54 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ccncc3 27a_100000210450_100010209551 [1,0,0,0,0,0|2,0,0]=3 55 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ccncn3 27a_100000736019_100010209551 [1,0,0,0,0,0|3,0,0]=4 56 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3cnccn3 27a_100000737960_100010209551 [1,0,0,0,0,0|3,0,0]=4 57 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3cncnc3 27a_100011243677_100010209551 [1,0,0,0,0,0|3,0,0]=4 58 B21R3.8413 Nc1ncc2c(cccc2n1)NCc3ncccn3 27a_100015189908_100010209551 [1,0,0,0,0,0|3,0,0]=4 59 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccc3 62a_100000211182_100010209551 [1,0,0,0,0,0|0,1,0]=2 60 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccc3 62a_100010209551_100015291786 [1,0,0,0,0,0|0,1,0]=2 61 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccn3 62a_100000721315_100010209551 [1,0,0,0,0,0|1,1,0]=3 62 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccccn3 62a_100010209551_100000721315 [1,0,0,0,0,0|1,1,0]=3 63 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cccnc3 62a_100000741622_100010209551 [1,0,0,0,0,0|1,1,0]=3 64 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cccnc3 62a_100010209551_100000741622 [1,0,0,0,0,0|1,1,0]=3 65 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cccnn3 62a_100010209551_100016990269 [1,0,0,0,0,0|2,1,0]=4 66 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cccnn3 62a_100016990269_100010209551 [1,0,0,0,0,0|2,1,0]=4 67 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccncc3 62a_100010209551_100015193705 [1,0,0,0,0,0|1,1,0]=3 68 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ccncc3 62a_100015193705_100010209551 [1,0,0,0,0,0|1,1,0]=3 69 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cnccn3 62a_100010209551_100016995436 [1,0,0,0,0,0|2,1,0]=4 70 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cnccn3 62a_100016995436_100010209551 [1,0,0,0,0,0|2,1,0]=4 71 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cncnc3 62a_100010209551_100015196519 [1,0,0,0,0,0|2,1,0]=4 72 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3cncnc3 62a_100015196519_100010209551 [1,0,0,0,0,0|2,1,0]=4 73 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ncccn3 62a_100000703007_100010209551 [1,0,0,0,0,0|2,1,0]=4 74 B21R3.8413 Nc1ncc2c(cccc2n1)SCc3ncccn3 62a_100010209551_100000703007 [1,0,0,0,0,0|2,1,0]=4 75 B21R3.8413 Oc1cc2cccc(c2cn1)SCc3ccccc3 62a_100000211182_100009817091 [1,0,0,0,0,0|2,1,0]=4 76 B21R3.6679883 Brc1cccc2c1c(ccc2)OCc3ccccc3 34a_100010089961_100015291786 [1,0,0,0,0,0|3,0,0]=4 77 B21R3.6679883 Brc1cccc2c1c(ccc2)OCc3ccccc3 7a_100010089961_100000211182 [1,0,0,0,0,0|3,0,0]=4 78 B21R3.6679883 Clc1ccnc2c1c(ccc2)NCc3ccccc3 34a_100010263589_100015291786 [1,0,0,0,0,0|3,0,0]=4 79 B21R3.6679883 Nc1cccc2c1c(ccc2)SCc3ccccc3 62a_100010002837_100015291786 [1,0,0,0,0,0|2,1,0]=4 80 B21R3.6679883 Nc1nccc2c1c(ccc2)C#Cc3ccccc3 271570a_100000069678_100010291105 [1,0,0,0,0,0|2,0,1]=4 81 B21R3.6679883 Nc1nccc2c1c(ccc2)C=Cc3ccccc3 271570a_100102527694_100010291105 [1,0,0,0,0,0|2,0,1]=4 82 B21R3.6679883 Nc1nccc2c1c(ccc2)SCc3ccccc3 62a_100010291105_100015291786 [1,0,0,0,0,0|1,1,0]=3 83 B21R3.6679883 Nc1nccc2c1c(ccc2)SCc3ccccn3 62a_100010291105_100000721315 [1,0,0,0,0,0|2,1,0]=4 84 B21R3.6679883 Nc1nccc2c1c(ccc2)SCc3cccnc3 62a_100010291105_100000741622 [1,0,0,0,0,0|2,1,0]=4 85 B21R3.6679883 Nc1nccc2c1c(ccc2)SCc3ccncc3 62a_100010291105_100015193705 [1,0,0,0,0,0|2,1,0]=4 86 B21R3.6679883 Nc1ncnc2c1c(ccc2)C#Cc3ccccc3 271570a_100000069678_100010171649 [1,0,0,0,0,0|1,0,1]=3 87 B21R3.6679883 Nc1ncnc2c1c(ccc2)C=Cc3ccccc3 271570a_100102527694_100010171649 [1,0,0,0,0,0|1,0,1]=3 88 B21R3.6679883 Nc1ncnc2c1c(ccc2)C=Cc3cccnc3 271570a_100102525586_100010171649 [1,0,0,0,0,0|2,0,1]=4 89 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ccccc3 27a_100015324214_100010171649 [1,0,0,0,0,0|1,0,0]=2 90 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ccccn3 27a_100000210449_100010171649 [1,0,0,0,0,0|2,0,0]=3 91 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3cccnc3 27a_100000210453_100010171649 [1,0,0,0,0,0|2,0,0]=3 92 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3cccnn3 27a_100159270163_100010171649 [1,0,0,0,0,0|3,0,0]=4 93 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ccncc3 27a_100000210450_100010171649 [1,0,0,0,0,0|2,0,0]=3 94 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ccncn3 27a_100000736019_100010171649 [1,0,0,0,0,0|3,0,0]=4 95 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3cnccn3 27a_100000737960_100010171649 [1,0,0,0,0,0|3,0,0]=4 96 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3cncnc3 27a_100011243677_100010171649 [1,0,0,0,0,0|3,0,0]=4 97 B21R3.6679883 Nc1ncnc2c1c(ccc2)NCc3ncccn3 27a_100015189908_100010171649 [1,0,0,0,0,0|3,0,0]=4 98 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3ccccc3 62a_100010171649_100015291786 [1,0,0,0,0,0|0,1,0]=2 99 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3ccccn3 62a_100010171649_100000721315 [1,0,0,0,0,0|1,1,0]=3 100 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3cccnc3 62a_100010171649_100000741622 [1,0,0,0,0,0|1,1,0]=3 101 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3cccnn3 62a_100010171649_100016990269 [1,0,0,0,0,0|2,1,0]=4 102 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3ccncc3 62a_100010171649_100015193705 [1,0,0,0,0,0|1,1,0]=3 103 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3cnccn3 62a_100010171649_100016995436 [1,0,0,0,0,0|2,1,0]=4 104 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3cncnc3 62a_100010171649_100015196519 [1,0,0,0,0,0|2,1,0]=4 105 B21R3.6679883 Nc1ncnc2c1c(ccc2)SCc3ncccn3 62a_100010171649_100000703007 [1,0,0,0,0,0|2,1,0]=4 106 B21R3.6679883 O=c1[nH]ccc2c1c(ccc2)OCc3ccccc3 34a_200010358299_100015291786 [1,0,0,0,0,0|2,0,1]=4 107 B21R3.6679883 O=c1[nH]ccc2c1c(ccc2)OCc3ccccc3 7a_200010358299_100000211182 [1,0,0,0,0,0|2,0,1]=4 108 B21R3.6679883 O=c1[nH]cnc2c1c(ccc2)NCc3ccccc3 27a_100015324214_100000696754 [1,0,0,0,0,0|2,0,1]=4 109 B21R3.6679883 O=c1[nH]cnc2c1c(ccc2)SCc3ccccc3 62a_100000211182_100000696754 [1,0,0,0,0,0|1,1,1]=4 110 B21R3.6679883 O=c1ccoc2c1c(ccc2)OCc3ccccc3 34a_100000040341_100015291786 [1,0,0,0,0,0|3,0,0]=4 111 B21R3.6679883 O=c1ccoc2c1c(ccc2)OCc3ccccc3 7a_100000040341_100000211182 [1,0,0,0,0,0|3,0,0]=4 112 B21R3.6679883 Oc1nccc2c1c(ccc2)SCc3ccccc3 62a_100000211182_100010162479 [1,0,0,0,0,0|2,1,0]=4 113 B23R3.345845 CC(Cc1cccc2c1c(nc(n2)N)N)c3ccccc3 271570a_100000062452_200011217714 [0,1,0,0,0,0|1,0,0]=2 114 B23R3.345845 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccccc3 62a_200011217714_100000230085 [0,1,0,0,0,0|0,1,0]=2 115 B23R3.345845 CC(Sc1cccc2c1c(nc(n2)N)N)c3cnccn3 62a_200011217714_200000703233 [0,1,0,0,0,0|2,1,0]=4 116 B23R3.345845 Cc1nc(c2c(cccc2n1)CC(C)c3ccccc3)O 271570a_100000062452_200010988834 [0,1,0,0,0,0|3,0,0]=4 117 B23R3.345845 Cc1nc(c2c(cccc2n1)N[C@H](C)c3ccccc3)O 27a_100000751104_200010988834 [0,1,0,0,0,0|3,0,0]=4 118 B23R3.345848 Cc1nc(c2c(cccc2n1)N(C)Cc3ccccc3)O 27a_100000186898_200010988834 [0,1,0,0,0,0|3,0,0]=4 119 B23R3.17233761 Cc1ccccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000211839 [0,1,0,0,0,0|0,1,0]=2 120 B23R3.17233761 Cc1cccnc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000696600 [0,1,0,0,0,0|1,1,0]=3 121 B23R3.17233761 Cc1ccncc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000690890 [0,1,0,0,0,0|1,1,0]=3 122 B23R3.17233761 Cc1cnccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100020672808 [0,1,0,0,0,0|1,1,0]=3 123 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3Br)O 27a_100000689332_200010988834 [0,1,0,0,0,0|3,0,0]=4 124 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3C)O 27a_100000174972_200010988834 [0,1,0,0,0,0|3,0,0]=4 125 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3Cl)O 27a_100000174879_200010988834 [0,1,0,0,0,0|3,0,0]=4 126 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3F)O 27a_100000174869_200010988834 [0,1,0,0,0,0|3,0,0]=4 127 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3I)O 27a_100015347259_200010988834 [0,1,0,0,0,0|3,0,0]=4 128 B23R3.17233761 Cc1nc(c2c(cccc2n1)NCc3ccccc3O)O 27a_100000185550_200010988834 [0,1,0,0,0,0|3,0,0]=4 129 B23R3.17233761 Cc1ncccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000732876 [0,1,0,0,0,0|1,1,0]=3 130 B23R3.17233761 Nc1nc(c2c(cccc2n1)C=Cc3ccccc3F)N 271570a_200102527919_200011217714 [0,1,0,0,0,0|1,0,1]=3 131 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ccccc3Br)N 62a_200011217714_100000184730 [0,1,0,0,0,0|0,1,0]=2 132 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ccccc3Cl)N 62a_200011217714_100000187162 [0,1,0,0,0,0|0,1,0]=2 133 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ccccc3F)N 62a_200011217714_100000211605 [0,1,0,0,0,0|0,1,0]=2 134 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ccccc3I)N 62a_200011217714_100011216222 [0,1,0,0,0,0|0,1,0]=2 135 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3cccnc3Br)N 62a_200011217714_100010140945 [0,1,0,0,0,0|1,1,0]=3 136 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3cccnc3Cl)N 62a_200011217714_100000045678 [0,1,0,0,0,0|1,1,0]=3 137 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3cccnc3F)N 62a_200011217714_100000099810 [0,1,0,0,0,0|1,1,0]=3 138 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ccncc3Cl)N 62a_200011217714_100000763264 [0,1,0,0,0,0|1,1,0]=3 139 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ncccc3Br)N 62a_200011217714_100025702911 [0,1,0,0,0,0|1,1,0]=3 140 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ncccc3Cl)N 62a_200011217714_100000099807 [0,1,0,0,0,0|1,1,0]=3 141 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ncccc3F)N 62a_200011217714_100000104219 [0,1,0,0,0,0|1,1,0]=3 142 B23R3.17233761 Nc1nc(c2c(cccc2n1)SCc3ncccc3O)N 62a_200011217714_200020655725 [0,1,0,0,0,0|1,1,0]=3 143 B23R3.24622273 Cc1ccc(cc1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_100102527916_200011217714 [0,1,0,0,0,0|1,0,1]=3 144 B23R3.24622273 Cc1ccc(cc1)CNc2cccc3c2c(nc(n3)C)O 27a_100000174908_200010988834 [0,1,0,0,0,0|3,0,0]=4 145 B23R3.24622273 Cc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000210814 [0,1,0,0,0,0|0,1,0]=2 146 B23R3.24622273 Cc1ccc(cn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100016987292 [0,1,0,0,0,0|1,1,0]=3 147 B23R3.24622273 Cc1ccc(nc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000691093 [0,1,0,0,0,0|1,1,0]=3 148 B23R3.24622273 Cc1cnc(cn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000752025 [0,1,0,0,0,0|2,1,0]=4 149 B23R3.24622273 Cc1cnc(nc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000685645 [0,1,0,0,0,0|2,1,0]=4 150 B23R3.24622273 Cc1nc(c2c(cccc2n1)NCc3ccc(cc3)Br)O 27a_100000174875_200010988834 [0,1,0,0,0,0|3,0,0]=4 151 B23R3.24622273 Cc1nc(c2c(cccc2n1)NCc3ccc(cc3)Cl)O 27a_100000174871_200010988834 [0,1,0,0,0,0|3,0,0]=4 152 B23R3.24622273 Cc1nc(c2c(cccc2n1)NCc3ccc(cc3)F)O 27a_100000174882_200010988834 [0,1,0,0,0,0|3,0,0]=4 153 B23R3.24622273 Cc1nc(c2c(cccc2n1)NCc3ccc(cc3)I)O 27a_100016989417_200010988834 [0,1,0,0,0,0|3,0,0]=4 154 B23R3.24622273 Cc1nc(c2c(cccc2n1)NCc3ccc(cc3)O)O 27a_100000185549_200010988834 [0,1,0,0,0,0|3,0,0]=4 155 B23R3.24622273 Nc1nc(c2c(cccc2n1)C=Cc3ccc(cc3)Br)N 271570a_100102527914_200011217714 [0,1,0,0,0,0|1,0,1]=3 156 B23R3.24622273 Nc1nc(c2c(cccc2n1)C=Cc3ccc(cc3)Cl)N 271570a_100102527930_200011217714 [0,1,0,0,0,0|1,0,1]=3 157 B23R3.24622273 Nc1nc(c2c(cccc2n1)C=Cc3ccc(cc3)F)N 271570a_100102525539_200011217714 [0,1,0,0,0,0|1,0,1]=3 158 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)Br)N 62a_200011217714_100000189115 [0,1,0,0,0,0|0,1,0]=2 159 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)Cl)N 62a_200011217714_100000187161 [0,1,0,0,0,0|0,1,0]=2 160 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)F)N 62a_200011217714_100000187164 [0,1,0,0,0,0|0,1,0]=2 161 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)I)N 62a_200011217714_100000189116 [0,1,0,0,0,0|0,1,0]=2 162 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cn3)Br)N 62a_200011217714_100000702658 [0,1,0,0,0,0|1,1,0]=3 163 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cn3)Cl)N 62a_200011217714_100000697101 [0,1,0,0,0,0|1,1,0]=3 164 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(cn3)F)N 62a_200011217714_100000703193 [0,1,0,0,0,0|1,1,0]=3 165 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(nc3)Br)N 62a_200011217714_100009831999 [0,1,0,0,0,0|1,1,0]=3 166 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(nc3)Cl)N 62a_200011217714_100000735431 [0,1,0,0,0,0|1,1,0]=3 167 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(nc3)F)N 62a_200011217714_100000099788 [0,1,0,0,0,0|1,1,0]=3 168 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ccc(nn3)Cl)N 62a_200011217714_100016992710 [0,1,0,0,0,0|2,1,0]=4 169 B23R3.24622273 Nc1nc(c2c(cccc2n1)SCc3ncc(cn3)Br)N 62a_200011217714_100010064664 [0,1,0,0,0,0|2,1,0]=4 170 B23R3.73179940 Cc1cc(ccn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200020672517 [0,1,0,0,0,0|1,1,0]=3 171 B23R3.73179940 Cc1cccc(c1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_200135466880_200011217714 [0,1,0,0,0,0|1,0,1]=3 172 B23R3.73179940 Cc1cccc(c1)CNc2cccc3c2c(nc(n3)C)O 27a_100000185548_200010988834 [0,1,0,0,0,0|3,0,0]=4 173 B23R3.73179940 Cc1cccc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000211840 [0,1,0,0,0,0|0,1,0]=2 174 B23R3.73179940 Cc1cccc(n1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000757606 [0,1,0,0,0,0|1,1,0]=3 175 B23R3.73179940 Cc1ccnc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000718516 [0,1,0,0,0,0|1,1,0]=3 176 B23R3.73179940 Cc1cncc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000716715 [0,1,0,0,0,0|1,1,0]=3 177 B23R3.73179940 Cc1nc(c2c(cccc2n1)NCc3cccc(c3)Br)O 27a_100000174977_200010988834 [0,1,0,0,0,0|3,0,0]=4 178 B23R3.73179940 Cc1nc(c2c(cccc2n1)NCc3cccc(c3)Cl)O 27a_100000174878_200010988834 [0,1,0,0,0,0|3,0,0]=4 179 B23R3.73179940 Cc1nc(c2c(cccc2n1)NCc3cccc(c3)F)O 27a_100000174948_200010988834 [0,1,0,0,0,0|3,0,0]=4 180 B23R3.73179940 Cc1nc(c2c(cccc2n1)NCc3cccc(c3)I)O 27a_100000106179_200010988834 [0,1,0,0,0,0|3,0,0]=4 181 B23R3.73179940 Cc1nc(c2c(cccc2n1)NCc3cccc(c3)O)O 27a_100000743036_200010988834 [0,1,0,0,0,0|3,0,0]=4 182 B23R3.73179940 Nc1nc(c2c(cccc2n1)C=Cc3cccc(c3)Cl)N 271570a_100102525933_200011217714 [0,1,0,0,0,0|1,0,1]=3 183 B23R3.73179940 Nc1nc(c2c(cccc2n1)C=Cc3cccc(c3)F)N 271570a_100102525537_200011217714 [0,1,0,0,0,0|1,0,1]=3 184 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cc(ccn3)Br)N 62a_200011217714_100010173614 [0,1,0,0,0,0|1,1,0]=3 185 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cc(ccn3)Cl)N 62a_200011217714_100016988179 [0,1,0,0,0,0|1,1,0]=3 186 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)Br)N 62a_200011217714_100000211773 [0,1,0,0,0,0|0,1,0]=2 187 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)Cl)N 62a_200011217714_100000187163 [0,1,0,0,0,0|0,1,0]=2 188 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)F)N 62a_200011217714_100000230114 [0,1,0,0,0,0|0,1,0]=2 189 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)I)N 62a_200011217714_100011218688 [0,1,0,0,0,0|0,1,0]=2 190 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)O)N 62a_200011217714_100011660834 [0,1,0,0,0,0|0,1,0]=2 191 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(n3)Br)N 62a_200011217714_100009889011 [0,1,0,0,0,0|1,1,0]=3 192 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(n3)Cl)N 62a_200011217714_100000086093 [0,1,0,0,0,0|1,1,0]=3 193 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cccc(n3)F)N 62a_200011217714_100009819644 [0,1,0,0,0,0|1,1,0]=3 194 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3ccnc(c3)Br)N 62a_200011217714_100010243470 [0,1,0,0,0,0|1,1,0]=3 195 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3ccnc(c3)Cl)N 62a_200011217714_100000764220 [0,1,0,0,0,0|1,1,0]=3 196 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3ccnc(n3)Cl)N 62a_200011217714_100000099655 [0,1,0,0,0,0|2,1,0]=4 197 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cncc(c3)Br)N 62a_200011217714_100000738771 [0,1,0,0,0,0|1,1,0]=3 198 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cncc(c3)Cl)N 62a_200011217714_100016992070 [0,1,0,0,0,0|1,1,0]=3 199 B23R3.73179940 Nc1nc(c2c(cccc2n1)SCc3cncc(c3)F)N 62a_200011217714_100000725299 [0,1,0,0,0,0|1,1,0]=3 200 B21R2.97721 NC(=O)CC(=O)c1ccccc1OCc2ccccc2 1458a_100000183716_100000187820 [0,0,1,0,0,0|3,0,0]=4 201 B21R3.245565 Cn1nc(c2c1cccc2SCc3ccccc3)N 62a_100010211377_100015291786 [0,0,0,0,1,0|2,1,0]=4 202 B21R3.245565 O=C1OC(=O)c2c1cccc2OCc3ccccc3 7a_100000042631_100000211182 [0,0,0,0,1,0|3,0,0]=4 203 B21R3.246729 Cc1nc(c2c(cccc2n1)Nc3ccccc3)O 27a_100000106764_200010988834 [0,0,0,0,1,0|3,0,0]=4 204 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccccc3)N 62a_200011217714_100000041952 [0,0,0,0,1,0|0,1,0]=2 205 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccccn3)N 62a_200011217714_100011216584 [0,0,0,0,1,0|1,1,0]=3 206 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3cccnc3)N 62a_200011217714_100000210063 [0,0,0,0,1,0|1,1,0]=3 207 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3cccnn3)N 62a_200011217714_100016991348 [0,0,0,0,1,0|2,1,0]=4 208 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccncc3)N 62a_200011217714_100000728582 [0,0,0,0,1,0|1,1,0]=3 209 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccncn3)N 62a_200011217714_100000703185 [0,0,0,0,1,0|2,1,0]=4 210 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ccnnc3)N 62a_200011217714_100000732662 [0,0,0,0,1,0|2,1,0]=4 211 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3cnccn3)N 62a_200011217714_100000211759 [0,0,0,0,1,0|2,1,0]=4 212 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3cncnc3)N 62a_200011217714_100011206942 [0,0,0,0,1,0|2,1,0]=4 213 B21R3.246729 Nc1nc(c2c(cccc2n1)Sc3ncccn3)N 62a_200011217714_100000211032 [0,0,0,0,1,0|2,1,0]=4 214 B21R3.246731 Nc1nc(c2c(n[nH]c2n1)SCc3ccccc3)N 62a_100010293082_100015291786 [0,0,0,0,1,0|2,1,0]=4 215 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3c[nH]cn3)N 62a_200011217714_100000707719 [0,0,0,0,1,0|2,1,0]=4 216 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3ccn[nH]3)N 62a_200011217714_100000728653 [0,0,0,0,1,0|2,1,0]=4 217 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3ccon3)N 62a_200011217714_100000234950 [0,0,0,0,1,0|2,1,0]=4 218 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3ccsc3)N 62a_200011217714_100011233845 [0,0,0,0,1,0|1,1,0]=3 219 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3cncs3)N 62a_200011217714_100015185245 [0,0,0,0,1,0|2,1,0]=4 220 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3cscn3)N 62a_200011217714_100000205941 [0,0,0,0,1,0|2,1,0]=4 221 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3ncc[nH]3)N 62a_200011217714_100016991755 [0,0,0,0,1,0|2,1,0]=4 222 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3ncco3)N 62a_200011217714_103436540062 [0,0,0,0,1,0|2,1,0]=4 223 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCc3nccs3)N 62a_200011217714_100015184050 [0,0,0,0,1,0|2,1,0]=4 224 B23R3.345846 Cc1nc(c2c(cccc2n1)C=CCc3ccccc3)O 271570a_200016263579_200010988834 [0,0,0,0,0,1|3,0,0]=4 225 B23R3.345846 Cc1nc(c2c(cccc2n1)NCCc3ccccc3)O 27a_100000106460_200010988834 [0,0,0,0,0,1|3,0,0]=4 226 B23R3.345846 Nc1nc(c2c(cccc2n1)C=CCc3ccccc3)N 271570a_200016263579_200011217714 [0,0,0,0,0,1|1,0,0]=2 227 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCc3ccccc3)N 62a_200011217714_100011218657 [0,0,0,0,0,1|0,1,0]=2 228 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCc3ccccn3)N 62a_200011217714_100015183660 [0,0,0,0,0,1|1,1,0]=3 229 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCc3cccnc3)N 62a_200011217714_200011713674 [0,0,0,0,0,1|1,1,0]=3 230 B23R3.345846 Nc1nc(c2c(cccc2n1)SCCc3ccncc3)N 62a_200011217714_100000723409 [0,0,0,0,0,1|1,1,0]=3 231 B23R3.345846 Nc1nc(c2c(cccc2n1)SCSc3ccccc3)N 62a_200011217714_100011218342 [0,0,0,0,0,1|0,1,0]=2 232 B20R3.2720 C(#Cc1cccc2c1cncn2)c3ccccc3 271570a_100000069678_100009814520 [2,0,0,0,0,0|1,0,1]=4 233 B20R3.2720 C(=Cc1cccc2c1cncn2)c3ccccc3 271570a_100102527694_100009814520 [2,0,0,0,0,0|1,0,1]=4 234 B20R3.2720 c1cc(c2cncnc2c1)NCc3ccncc3 27a_100000210450_100009814520 [2,0,0,0,0,0|2,0,0]=4 235 B20R3.2720 c1cc(c2cncnc2c1)SCc3ccncc3 62a_100009814520_100015193705 [2,0,0,0,0,0|1,1,0]=4 236 B20R3.2720 c1cc(c2cncnc2c1)SCc3ccncc3 62a_100015193705_100009814520 [2,0,0,0,0,0|1,1,0]=4 237 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cccn3 207a_100000183906_100015611070 [2,0,0,0,0,0|2,0,0]=4 238 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cccn3 27a_100015324214_100011290932 [2,0,0,0,0,0|2,0,0]=4 239 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cccn3 34a_100000183906_100015291786 [2,0,0,0,0,0|2,0,0]=4 240 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cncc3 207a_100000065885_100015611070 [2,0,0,0,0,0|2,0,0]=4 241 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cncn3 27a_100015324214_100009814520 [2,0,0,0,0,0|1,0,0]=3 242 B20R3.2720 c1ccc(cc1)COc2cccc3c2cccc3 34a_100000210388_100015291786 [2,0,0,0,0,0|2,0,0]=4 243 B20R3.2720 c1ccc(cc1)COc2cccc3c2cccc3 7a_100000210388_100000211182 [2,0,0,0,0,0|2,0,0]=4 244 B20R3.2720 c1ccc(cc1)COc2cccc3c2cccn3 34a_100011197808_100015291786 [2,0,0,0,0,0|1,0,0]=3 245 B20R3.2720 c1ccc(cc1)COc2cccc3c2cncc3 34a_103624766955_100015291786 [2,0,0,0,0,0|1,0,0]=3 246 B20R3.2720 c1ccc(cc1)COc2cccc3c2nccn3 34a_100000077048_100015291786 [2,0,0,0,0,0|2,0,0]=4 247 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cccn3 62a_100000211182_100011290932 [2,0,0,0,0,0|1,1,0]=4 248 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cccn3 62a_100011290932_100015291786 [2,0,0,0,0,0|1,1,0]=4 249 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cncc3 62a_100000211182_100000685578 [2,0,0,0,0,0|1,1,0]=4 250 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cncc3 62a_100000685578_100015291786 [2,0,0,0,0,0|1,1,0]=4 251 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cncn3 62a_100000211182_100009814520 [2,0,0,0,0,0|0,1,0]=3 252 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cncn3 62a_100009814520_100015291786 [2,0,0,0,0,0|0,1,0]=3 253 B20R3.2720 c1ccc(nc1)CNc2cccc3c2cncn3 27a_100000210449_100009814520 [2,0,0,0,0,0|2,0,0]=4 254 B20R3.2720 c1ccc(nc1)COc2cccc3c2cccn3 34a_100011197808_100000721315 [2,0,0,0,0,0|2,0,0]=4 255 B20R3.2720 c1ccc(nc1)COc2cccc3c2cncc3 34a_103624766955_100000721315 [2,0,0,0,0,0|2,0,0]=4 256 B20R3.2720 c1ccc(nc1)CSc2cccc3c2cncn3 62a_100000721315_100009814520 [2,0,0,0,0,0|1,1,0]=4 257 B20R3.2720 c1ccc(nc1)CSc2cccc3c2cncn3 62a_100009814520_100000721315 [2,0,0,0,0,0|1,1,0]=4 258 B20R3.2720 c1cncc(c1)CNc2cccc3c2cncn3 27a_100000210453_100009814520 [2,0,0,0,0,0|2,0,0]=4 259 B20R3.2720 c1cncc(c1)COc2cccc3c2cccn3 34a_100011197808_100000733263 [2,0,0,0,0,0|2,0,0]=4 260 B20R3.2720 c1cncc(c1)COc2cccc3c2cncc3 34a_103624766955_100000733263 [2,0,0,0,0,0|2,0,0]=4 261 B20R3.2720 c1cncc(c1)CSc2cccc3c2cncn3 62a_100000741622_100009814520 [2,0,0,0,0,0|1,1,0]=4 262 B20R3.2720 c1cncc(c1)CSc2cccc3c2cncn3 62a_100009814520_100000741622 [2,0,0,0,0,0|1,1,0]=4 263 B22R3.6134 N#Cc1ccc2c(cccc2n1)OCc3ccccc3 7a_100009841945_100000211182 [1,1,0,0,0,0|1,0,1]=4 264 B22R3.12502 CC(Cc1cccc2c1ccc(n2)N)c3ccccc3 271570a_100000062452_100000723655 [1,1,0,0,0,0|2,0,0]=4 265 B22R3.12502 CC(Cc1cccc2c1cnc(c2)N)c3ccccc3 271570a_100000062452_100010201637 [1,1,0,0,0,0|2,0,0]=4 266 B22R3.12502 CC(Cc1cccc2c1cnc(n2)N)c3ccccc3 271570a_100000062452_100010209551 [1,1,0,0,0,0|1,0,0]=3 267 B22R3.12502 CC(Nc1cccc2c1cnc(n2)N)c3ccccn3 27a_100000181244_100010209551 [1,1,0,0,0,0|2,0,0]=4 268 B22R3.12502 CC(Nc1cccc2c1cnc(n2)N)c3cccnc3 27a_100000195435_100010209551 [1,1,0,0,0,0|2,0,0]=4 269 B22R3.12502 CC(Nc1cccc2c1cnc(n2)N)c3ccncc3 27a_100000181269_100010209551 [1,1,0,0,0,0|2,0,0]=4 270 B22R3.12502 CC(Oc1cccc2c1ccc(c2)N)c3ccccc3 34a_100000035793_100000211855 [1,1,0,0,0,0|2,0,0]=4 271 B22R3.12502 CC(Sc1cccc2c1ccc(n2)N)c3ccccc3 62a_100000723655_100000230085 [1,1,0,0,0,0|1,1,0]=4 272 B22R3.12502 CC(Sc1cccc2c1cnc(c2)N)c3ccccc3 62a_100000230085_100010201637 [1,1,0,0,0,0|1,1,0]=4 273 B22R3.12502 CC(Sc1cccc2c1cnc(c2)N)c3ccccc3 62a_100010201637_100000230085 [1,1,0,0,0,0|1,1,0]=4 274 B22R3.12502 CC(Sc1cccc2c1cnc(n2)N)c3ccccc3 62a_100000230085_100010209551 [1,1,0,0,0,0|0,1,0]=3 275 B22R3.12502 CC(Sc1cccc2c1cnc(n2)N)c3ccccc3 62a_100010209551_100000230085 [1,1,0,0,0,0|0,1,0]=3 276 B22R3.12502 C[C@@H](Nc1cccc2c1cnc(n2)N)c3ccccc3 27a_100000751104_100010209551 [1,1,0,0,0,0|1,0,0]=3 277 B22R3.12514 CN(Cc1ccccc1)c2cccc3c2cnc(n3)N 27a_100000186898_100010209551 [1,1,0,0,0,0|1,0,0]=3 278 B22R3.12514 CN(Cc1ccccn1)c2cccc3c2cnc(n3)N 27a_100000207498_100010209551 [1,1,0,0,0,0|2,0,0]=4 279 B22R3.12514 CN(Cc1cccnc1)c2cccc3c2cnc(n3)N 27a_100000184577_100010209551 [1,1,0,0,0,0|2,0,0]=4 280 B22R3.12514 CN(Cc1ccncc1)c2cccc3c2cnc(n3)N 27a_100000187231_100010209551 [1,1,0,0,0,0|2,0,0]=4 281 B22R3.256038 Cc1ccccc1CNc2cccc3c2cnc(n3)N 27a_100000174972_100010209551 [1,1,0,0,0,0|1,0,0]=3 282 B22R3.256038 Cc1ccccc1COc2cccc3c2ccc(c3)N 34a_100000035793_100000211839 [1,1,0,0,0,0|2,0,0]=4 283 B22R3.256038 Cc1ccccc1CSc2cccc3c2ccc(n3)N 62a_100000723655_100000211839 [1,1,0,0,0,0|1,1,0]=4 284 B22R3.256038 Cc1ccccc1CSc2cccc3c2cnc(c3)N 62a_100000211839_100010201637 [1,1,0,0,0,0|1,1,0]=4 285 B22R3.256038 Cc1ccccc1CSc2cccc3c2cnc(c3)N 62a_100010201637_100000211839 [1,1,0,0,0,0|1,1,0]=4 286 B22R3.256038 Cc1ccccc1CSc2cccc3c2cnc(n3)N 62a_100000211839_100010209551 [1,1,0,0,0,0|0,1,0]=3 287 B22R3.256038 Cc1ccccc1CSc2cccc3c2cnc(n3)N 62a_100010209551_100000211839 [1,1,0,0,0,0|0,1,0]=3 288 B22R3.256038 Cc1cccnc1CNc2cccc3c2cnc(n3)N 27a_100011223789_100010209551 [1,1,0,0,0,0|2,0,0]=4 289 B22R3.256038 Cc1cccnc1CSc2cccc3c2cnc(n3)N 62a_100000696600_100010209551 [1,1,0,0,0,0|1,1,0]=4 290 B22R3.256038 Cc1cccnc1CSc2cccc3c2cnc(n3)N 62a_100010209551_100000696600 [1,1,0,0,0,0|1,1,0]=4 291 B22R3.256038 Cc1ccncc1CNc2cccc3c2cnc(n3)N 27a_100011997553_100010209551 [1,1,0,0,0,0|2,0,0]=4 292 B22R3.256038 Cc1ccncc1CSc2cccc3c2cnc(n3)N 62a_100000690890_100010209551 [1,1,0,0,0,0|1,1,0]=4 293 B22R3.256038 Cc1ccncc1CSc2cccc3c2cnc(n3)N 62a_100010209551_100000690890 [1,1,0,0,0,0|1,1,0]=4 294 B22R3.256038 Cc1cnccc1CNc2cccc3c2cnc(n3)N 27a_100000708811_100010209551 [1,1,0,0,0,0|2,0,0]=4 295 B22R3.256038 Cc1cnccc1CSc2cccc3c2cnc(n3)N 62a_100010209551_100020672808 [1,1,0,0,0,0|1,1,0]=4 296 B22R3.256038 Cc1cnccc1CSc2cccc3c2cnc(n3)N 62a_100020672808_100010209551 [1,1,0,0,0,0|1,1,0]=4 297 B22R3.256038 Cc1ncccc1CSc2cccc3c2cnc(n3)N 62a_100000732876_100010209551 [1,1,0,0,0,0|1,1,0]=4 298 B22R3.256038 Cc1ncccc1CSc2cccc3c2cnc(n3)N 62a_100010209551_100000732876 [1,1,0,0,0,0|1,1,0]=4 299 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3Br 62a_100000184730_100010201637 [1,1,0,0,0,0|1,1,0]=4 300 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3Br 62a_100010201637_100000184730 [1,1,0,0,0,0|1,1,0]=4 301 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3Cl 62a_100000187162_100010201637 [1,1,0,0,0,0|1,1,0]=4 302 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3Cl 62a_100010201637_100000187162 [1,1,0,0,0,0|1,1,0]=4 303 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3F 62a_100000211605_100010201637 [1,1,0,0,0,0|1,1,0]=4 304 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3F 62a_100010201637_100000211605 [1,1,0,0,0,0|1,1,0]=4 305 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3I 62a_100010201637_100011216222 [1,1,0,0,0,0|1,1,0]=4 306 B22R3.256038 Nc1cc2cccc(c2cn1)SCc3ccccc3I 62a_100011216222_100010201637 [1,1,0,0,0,0|1,1,0]=4 307 B22R3.256038 Nc1ccc2c(cccc2c1)OCc3ccccc3Br 34a_100000035793_100000184730 [1,1,0,0,0,0|2,0,0]=4 308 B22R3.256038 Nc1ccc2c(cccc2c1)OCc3ccccc3Cl 34a_100000035793_100000187162 [1,1,0,0,0,0|2,0,0]=4 309 B22R3.256038 Nc1ccc2c(cccc2c1)OCc3ccccc3F 34a_100000035793_100000211605 [1,1,0,0,0,0|2,0,0]=4 310 B22R3.256038 Nc1ccc2c(cccc2c1)OCc3ccccc3I 34a_100000035793_100011215278 [1,1,0,0,0,0|2,0,0]=4 311 B22R3.256038 Nc1ccc2c(cccc2n1)SCc3ccccc3Br 62a_100000723655_100000184730 [1,1,0,0,0,0|1,1,0]=4 312 B22R3.256038 Nc1ccc2c(cccc2n1)SCc3ccccc3Cl 62a_100000723655_100000187162 [1,1,0,0,0,0|1,1,0]=4 313 B22R3.256038 Nc1ccc2c(cccc2n1)SCc3ccccc3F 62a_100000723655_100000211605 [1,1,0,0,0,0|1,1,0]=4 314 B22R3.256038 Nc1ccc2c(cccc2n1)SCc3ccccc3I 62a_100000723655_100011216222 [1,1,0,0,0,0|1,1,0]=4 315 B22R3.256038 Nc1ncc2c(cccc2n1)C=Cc3ccccc3F 271570a_200102527919_100010209551 [1,1,0,0,0,0|1,0,1]=4 316 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccccc3Br 27a_100000689332_100010209551 [1,1,0,0,0,0|1,0,0]=3 317 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccccc3Cl 27a_100000174879_100010209551 [1,1,0,0,0,0|1,0,0]=3 318 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccccc3F 27a_100000174869_100010209551 [1,1,0,0,0,0|1,0,0]=3 319 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccccc3I 27a_100015347259_100010209551 [1,1,0,0,0,0|1,0,0]=3 320 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccccc3O 27a_100000185550_100010209551 [1,1,0,0,0,0|1,0,0]=3 321 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3cccnc3Br 27a_100009818023_100010209551 [1,1,0,0,0,0|2,0,0]=4 322 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3cccnc3Cl 27a_100015189234_100010209551 [1,1,0,0,0,0|2,0,0]=4 323 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3cccnc3F 27a_100000724633_100010209551 [1,1,0,0,0,0|2,0,0]=4 324 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccncc3Br 27a_100020640021_100010209551 [1,1,0,0,0,0|2,0,0]=4 325 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ccncc3F 27a_100011935246_100010209551 [1,1,0,0,0,0|2,0,0]=4 326 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ncccc3Br 27a_100020591323_100010209551 [1,1,0,0,0,0|2,0,0]=4 327 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ncccc3Cl 27a_100015189233_100010209551 [1,1,0,0,0,0|2,0,0]=4 328 B22R3.256038 Nc1ncc2c(cccc2n1)NCc3ncccc3F 27a_100000690088_100010209551 [1,1,0,0,0,0|2,0,0]=4 329 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3Br 62a_100000184730_100010209551 [1,1,0,0,0,0|0,1,0]=3 330 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3Br 62a_100010209551_100000184730 [1,1,0,0,0,0|0,1,0]=3 331 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3Cl 62a_100000187162_100010209551 [1,1,0,0,0,0|0,1,0]=3 332 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3Cl 62a_100010209551_100000187162 [1,1,0,0,0,0|0,1,0]=3 333 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3F 62a_100000211605_100010209551 [1,1,0,0,0,0|0,1,0]=3 334 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3F 62a_100010209551_100000211605 [1,1,0,0,0,0|0,1,0]=3 335 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3I 62a_100010209551_100011216222 [1,1,0,0,0,0|0,1,0]=3 336 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccccc3I 62a_100011216222_100010209551 [1,1,0,0,0,0|0,1,0]=3 337 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3Br 62a_100010140945_100010209551 [1,1,0,0,0,0|1,1,0]=4 338 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3Br 62a_100010209551_100010140945 [1,1,0,0,0,0|1,1,0]=4 339 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3Cl 62a_100000045678_100010209551 [1,1,0,0,0,0|1,1,0]=4 340 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3Cl 62a_100010209551_100000045678 [1,1,0,0,0,0|1,1,0]=4 341 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3F 62a_100000099810_100010209551 [1,1,0,0,0,0|1,1,0]=4 342 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3cccnc3F 62a_100010209551_100000099810 [1,1,0,0,0,0|1,1,0]=4 343 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccncc3Cl 62a_100000763264_100010209551 [1,1,0,0,0,0|1,1,0]=4 344 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ccncc3Cl 62a_100010209551_100000763264 [1,1,0,0,0,0|1,1,0]=4 345 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3Br 62a_100010209551_100025702911 [1,1,0,0,0,0|1,1,0]=4 346 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3Br 62a_100025702911_100010209551 [1,1,0,0,0,0|1,1,0]=4 347 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3Cl 62a_100000099807_100010209551 [1,1,0,0,0,0|1,1,0]=4 348 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3Cl 62a_100010209551_100000099807 [1,1,0,0,0,0|1,1,0]=4 349 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3F 62a_100000104219_100010209551 [1,1,0,0,0,0|1,1,0]=4 350 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3F 62a_100010209551_100000104219 [1,1,0,0,0,0|1,1,0]=4 351 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3O 62a_100010209551_200020655725 [1,1,0,0,0,0|1,1,0]=4 352 B22R3.256038 Nc1ncc2c(cccc2n1)SCc3ncccc3O 62a_200020655725_100010209551 [1,1,0,0,0,0|1,1,0]=4 353 B22R3.5442335 Cc1cc(ccn1)CNc2cccc3c2cnc(n3)N 27a_100011934566_100010209551 [1,1,0,0,0,0|2,0,0]=4 354 B22R3.5442335 Cc1cc(ccn1)CSc2cccc3c2cnc(n3)N 62a_100010209551_200020672517 [1,1,0,0,0,0|1,1,0]=4 355 B22R3.5442335 Cc1cc(ccn1)CSc2cccc3c2cnc(n3)N 62a_200020672517_100010209551 [1,1,0,0,0,0|1,1,0]=4 356 B22R3.5442335 Cc1cccc(c1)C=Cc2cccc3c2cnc(n3)N 271570a_200135466880_100010209551 [1,1,0,0,0,0|1,0,1]=4 357 B22R3.5442335 Cc1cccc(c1)CNc2cccc3c2cnc(n3)N 27a_100000185548_100010209551 [1,1,0,0,0,0|1,0,0]=3 358 B22R3.5442335 Cc1cccc(c1)COc2cccc3c2ccc(c3)N 34a_100000035793_100000211840 [1,1,0,0,0,0|2,0,0]=4 359 B22R3.5442335 Cc1cccc(c1)CSc2cccc3c2ccc(n3)N 62a_100000723655_100000211840 [1,1,0,0,0,0|1,1,0]=4 360 B22R3.5442335 Cc1cccc(c1)CSc2cccc3c2cnc(c3)N 62a_100000211840_100010201637 [1,1,0,0,0,0|1,1,0]=4 361 B22R3.5442335 Cc1cccc(c1)CSc2cccc3c2cnc(c3)N 62a_100010201637_100000211840 [1,1,0,0,0,0|1,1,0]=4 362 B22R3.5442335 Cc1cccc(c1)CSc2cccc3c2cnc(n3)N 62a_100000211840_100010209551 [1,1,0,0,0,0|0,1,0]=3 363 B22R3.5442335 Cc1cccc(c1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000211840 [1,1,0,0,0,0|0,1,0]=3 364 B22R3.5442335 Cc1cccc(n1)CNc2cccc3c2cnc(n3)N 27a_100000701342_100010209551 [1,1,0,0,0,0|2,0,0]=4 365 B22R3.5442335 Cc1cccc(n1)CSc2cccc3c2cnc(n3)N 62a_100000757606_100010209551 [1,1,0,0,0,0|1,1,0]=4 366 B22R3.5442335 Cc1cccc(n1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000757606 [1,1,0,0,0,0|1,1,0]=4 367 B22R3.5442335 Cc1ccnc(c1)CNc2cccc3c2cnc(n3)N 27a_100011934573_100010209551 [1,1,0,0,0,0|2,0,0]=4 368 B22R3.5442335 Cc1ccnc(c1)CSc2cccc3c2cnc(n3)N 62a_100000718516_100010209551 [1,1,0,0,0,0|1,1,0]=4 369 B22R3.5442335 Cc1ccnc(c1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000718516 [1,1,0,0,0,0|1,1,0]=4 370 B22R3.5442335 Cc1cncc(c1)CNc2cccc3c2cnc(n3)N 27a_100000692839_100010209551 [1,1,0,0,0,0|2,0,0]=4 371 B22R3.5442335 Cc1cncc(c1)CSc2cccc3c2cnc(n3)N 62a_100000716715_100010209551 [1,1,0,0,0,0|1,1,0]=4 372 B22R3.5442335 Cc1cncc(c1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000716715 [1,1,0,0,0,0|1,1,0]=4 373 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)Br 62a_100000211773_100010201637 [1,1,0,0,0,0|1,1,0]=4 374 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)Br 62a_100010201637_100000211773 [1,1,0,0,0,0|1,1,0]=4 375 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)Cl 62a_100000187163_100010201637 [1,1,0,0,0,0|1,1,0]=4 376 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)Cl 62a_100010201637_100000187163 [1,1,0,0,0,0|1,1,0]=4 377 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)F 62a_100000230114_100010201637 [1,1,0,0,0,0|1,1,0]=4 378 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)F 62a_100010201637_100000230114 [1,1,0,0,0,0|1,1,0]=4 379 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)I 62a_100010201637_100011218688 [1,1,0,0,0,0|1,1,0]=4 380 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)I 62a_100011218688_100010201637 [1,1,0,0,0,0|1,1,0]=4 381 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)O 62a_100010201637_100011660834 [1,1,0,0,0,0|1,1,0]=4 382 B22R3.5442335 Nc1cc2cccc(c2cn1)SCc3cccc(c3)O 62a_100011660834_100010201637 [1,1,0,0,0,0|1,1,0]=4 383 B22R3.5442335 Nc1ccc2c(cccc2c1)OCc3cccc(c3)Br 34a_100000035793_100000698116 [1,1,0,0,0,0|2,0,0]=4 384 B22R3.5442335 Nc1ccc2c(cccc2c1)OCc3cccc(c3)Cl 34a_100000035793_100000187163 [1,1,0,0,0,0|2,0,0]=4 385 B22R3.5442335 Nc1ccc2c(cccc2c1)OCc3cccc(c3)F 34a_100000035793_100000187166 [1,1,0,0,0,0|2,0,0]=4 386 B22R3.5442335 Nc1ccc2c(cccc2c1)OCc3cccc(c3)I 34a_100000035793_100011218688 [1,1,0,0,0,0|2,0,0]=4 387 B22R3.5442335 Nc1ccc2c(cccc2c1)OCc3cccc(c3)O 34a_100000035793_100011660834 [1,1,0,0,0,0|2,0,0]=4 388 B22R3.5442335 Nc1ccc2c(cccc2n1)SCc3cccc(c3)Br 62a_100000723655_100000211773 [1,1,0,0,0,0|1,1,0]=4 389 B22R3.5442335 Nc1ccc2c(cccc2n1)SCc3cccc(c3)Cl 62a_100000723655_100000187163 [1,1,0,0,0,0|1,1,0]=4 390 B22R3.5442335 Nc1ccc2c(cccc2n1)SCc3cccc(c3)F 62a_100000723655_100000230114 [1,1,0,0,0,0|1,1,0]=4 391 B22R3.5442335 Nc1ccc2c(cccc2n1)SCc3cccc(c3)I 62a_100000723655_100011218688 [1,1,0,0,0,0|1,1,0]=4 392 B22R3.5442335 Nc1ccc2c(cccc2n1)SCc3cccc(c3)O 62a_100000723655_100011660834 [1,1,0,0,0,0|1,1,0]=4 393 B22R3.5442335 Nc1ncc2c(cccc2n1)C=Cc3cccc(c3)Cl 271570a_100102525933_100010209551 [1,1,0,0,0,0|1,0,1]=4 394 B22R3.5442335 Nc1ncc2c(cccc2n1)C=Cc3cccc(c3)F 271570a_100102525537_100010209551 [1,1,0,0,0,0|1,0,1]=4 395 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cc(ccn3)Br 27a_100009818019_100010209551 [1,1,0,0,0,0|2,0,0]=4 396 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cc(ccn3)Cl 27a_100000085674_100010209551 [1,1,0,0,0,0|2,0,0]=4 397 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(c3)Br 27a_100000174977_100010209551 [1,1,0,0,0,0|1,0,0]=3 398 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(c3)Cl 27a_100000174878_100010209551 [1,1,0,0,0,0|1,0,0]=3 399 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(c3)F 27a_100000174948_100010209551 [1,1,0,0,0,0|1,0,0]=3 400 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(c3)I 27a_100000106179_100010209551 [1,1,0,0,0,0|1,0,0]=3 401 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(c3)O 27a_100000743036_100010209551 [1,1,0,0,0,0|1,0,0]=3 402 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(n3)Br 27a_100016987751_100010209551 [1,1,0,0,0,0|2,0,0]=4 403 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(n3)Cl 27a_100016990191_100010209551 [1,1,0,0,0,0|2,0,0]=4 404 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cccc(n3)F 27a_100015188798_100010209551 [1,1,0,0,0,0|2,0,0]=4 405 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3ccnc(c3)Br 27a_100025757509_100010209551 [1,1,0,0,0,0|2,0,0]=4 406 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3ccnc(c3)Cl 27a_100015205668_100010209551 [1,1,0,0,0,0|2,0,0]=4 407 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3ccnc(c3)F 27a_100015188774_100010209551 [1,1,0,0,0,0|2,0,0]=4 408 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3ccnc(c3)O 27a_100000748557_100010209551 [1,1,0,0,0,0|2,0,0]=4 409 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cncc(c3)Br 27a_100011249555_100010209551 [1,1,0,0,0,0|2,0,0]=4 410 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cncc(c3)Cl 27a_200020614424_100010209551 [1,1,0,0,0,0|2,0,0]=4 411 B22R3.5442335 Nc1ncc2c(cccc2n1)NCc3cncc(c3)F 27a_100011962886_100010209551 [1,1,0,0,0,0|2,0,0]=4 412 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cc(ccn3)Br 62a_100010173614_100010209551 [1,1,0,0,0,0|1,1,0]=4 413 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cc(ccn3)Br 62a_100010209551_100010173614 [1,1,0,0,0,0|1,1,0]=4 414 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cc(ccn3)Cl 62a_100010209551_100016988179 [1,1,0,0,0,0|1,1,0]=4 415 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cc(ccn3)Cl 62a_100016988179_100010209551 [1,1,0,0,0,0|1,1,0]=4 416 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)Br 62a_100000211773_100010209551 [1,1,0,0,0,0|0,1,0]=3 417 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)Br 62a_100010209551_100000211773 [1,1,0,0,0,0|0,1,0]=3 418 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)Cl 62a_100000187163_100010209551 [1,1,0,0,0,0|0,1,0]=3 419 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)Cl 62a_100010209551_100000187163 [1,1,0,0,0,0|0,1,0]=3 420 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)F 62a_100000230114_100010209551 [1,1,0,0,0,0|0,1,0]=3 421 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)F 62a_100010209551_100000230114 [1,1,0,0,0,0|0,1,0]=3 422 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)I 62a_100010209551_100011218688 [1,1,0,0,0,0|0,1,0]=3 423 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)I 62a_100011218688_100010209551 [1,1,0,0,0,0|0,1,0]=3 424 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)O 62a_100010209551_100011660834 [1,1,0,0,0,0|0,1,0]=3 425 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(c3)O 62a_100011660834_100010209551 [1,1,0,0,0,0|0,1,0]=3 426 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)Br 62a_100009889011_100010209551 [1,1,0,0,0,0|1,1,0]=4 427 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)Br 62a_100010209551_100009889011 [1,1,0,0,0,0|1,1,0]=4 428 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)Cl 62a_100000086093_100010209551 [1,1,0,0,0,0|1,1,0]=4 429 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)Cl 62a_100010209551_100000086093 [1,1,0,0,0,0|1,1,0]=4 430 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)F 62a_100009819644_100010209551 [1,1,0,0,0,0|1,1,0]=4 431 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cccc(n3)F 62a_100010209551_100009819644 [1,1,0,0,0,0|1,1,0]=4 432 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3ccnc(c3)Br 62a_100010209551_100010243470 [1,1,0,0,0,0|1,1,0]=4 433 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3ccnc(c3)Br 62a_100010254460_100010209551 [1,1,0,0,0,0|1,1,0]=4 434 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3ccnc(c3)Cl 62a_100000764220_100010209551 [1,1,0,0,0,0|1,1,0]=4 435 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3ccnc(c3)Cl 62a_100010209551_100000764220 [1,1,0,0,0,0|1,1,0]=4 436 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)Br 62a_100000738771_100010209551 [1,1,0,0,0,0|1,1,0]=4 437 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)Br 62a_100010209551_100000738771 [1,1,0,0,0,0|1,1,0]=4 438 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)Cl 62a_100010209551_100016992070 [1,1,0,0,0,0|1,1,0]=4 439 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)Cl 62a_100016992070_100010209551 [1,1,0,0,0,0|1,1,0]=4 440 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)F 62a_100000725299_100010209551 [1,1,0,0,0,0|1,1,0]=4 441 B22R3.5442335 Nc1ncc2c(cccc2n1)SCc3cncc(c3)F 62a_100010209551_100000725299 [1,1,0,0,0,0|1,1,0]=4 442 B22R3.15336736 Cc1ccc(cc1)C=Cc2cccc3c2cnc(n3)N 271570a_100102527916_100010209551 [1,1,0,0,0,0|1,0,1]=4 443 B22R3.15336736 Cc1ccc(cc1)CNc2cccc3c2cnc(n3)N 27a_100000174908_100010209551 [1,1,0,0,0,0|1,0,0]=3 444 B22R3.15336736 Cc1ccc(cc1)COc2cccc3c2ccc(c3)N 34a_100000035793_100000210814 [1,1,0,0,0,0|2,0,0]=4 445 B22R3.15336736 Cc1ccc(cc1)CSc2cccc3c2ccc(n3)N 62a_100000723655_100000210814 [1,1,0,0,0,0|1,1,0]=4 446 B22R3.15336736 Cc1ccc(cc1)CSc2cccc3c2cnc(c3)N 62a_100000210814_100010201637 [1,1,0,0,0,0|1,1,0]=4 447 B22R3.15336736 Cc1ccc(cc1)CSc2cccc3c2cnc(c3)N 62a_100010201637_100000210814 [1,1,0,0,0,0|1,1,0]=4 448 B22R3.15336736 Cc1ccc(cc1)CSc2cccc3c2cnc(n3)N 62a_100000210814_100010209551 [1,1,0,0,0,0|0,1,0]=3 449 B22R3.15336736 Cc1ccc(cc1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000210814 [1,1,0,0,0,0|0,1,0]=3 450 B22R3.15336736 Cc1ccc(cn1)CNc2cccc3c2cnc(n3)N 27a_100000740942_100010209551 [1,1,0,0,0,0|2,0,0]=4 451 B22R3.15336736 Cc1ccc(cn1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100016987292 [1,1,0,0,0,0|1,1,0]=4 452 B22R3.15336736 Cc1ccc(cn1)CSc2cccc3c2cnc(n3)N 62a_100016987292_100010209551 [1,1,0,0,0,0|1,1,0]=4 453 B22R3.15336736 Cc1ccc(nc1)CNc2cccc3c2cnc(n3)N 27a_100015187455_100010209551 [1,1,0,0,0,0|2,0,0]=4 454 B22R3.15336736 Cc1ccc(nc1)CSc2cccc3c2cnc(n3)N 62a_100000691093_100010209551 [1,1,0,0,0,0|1,1,0]=4 455 B22R3.15336736 Cc1ccc(nc1)CSc2cccc3c2cnc(n3)N 62a_100010209551_100000691093 [1,1,0,0,0,0|1,1,0]=4 456 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)Br 62a_100000189115_100010201637 [1,1,0,0,0,0|1,1,0]=4 457 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)Br 62a_100010201637_100000189115 [1,1,0,0,0,0|1,1,0]=4 458 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)Cl 62a_100000187161_100010201637 [1,1,0,0,0,0|1,1,0]=4 459 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)Cl 62a_100010201637_100000187161 [1,1,0,0,0,0|1,1,0]=4 460 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)F 62a_100000198546_100010201637 [1,1,0,0,0,0|1,1,0]=4 461 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)F 62a_100010201637_100000187164 [1,1,0,0,0,0|1,1,0]=4 462 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)I 62a_100000189116_100010201637 [1,1,0,0,0,0|1,1,0]=4 463 B22R3.15336736 Nc1cc2cccc(c2cn1)SCc3ccc(cc3)I 62a_100010201637_100000189116 [1,1,0,0,0,0|1,1,0]=4 464 B22R3.15336736 Nc1ccc2c(cccc2c1)OCc3ccc(cc3)Br 34a_100000035793_100000189115 [1,1,0,0,0,0|2,0,0]=4 465 B22R3.15336736 Nc1ccc2c(cccc2c1)OCc3ccc(cc3)Cl 34a_100000035793_100000694040 [1,1,0,0,0,0|2,0,0]=4 466 B22R3.15336736 Nc1ccc2c(cccc2c1)OCc3ccc(cc3)F 34a_100000035793_100000198546 [1,1,0,0,0,0|2,0,0]=4 467 B22R3.15336736 Nc1ccc2c(cccc2c1)OCc3ccc(cc3)I 34a_100000035793_100000189116 [1,1,0,0,0,0|2,0,0]=4 468 B22R3.15336736 Nc1ccc2c(cccc2n1)SCc3ccc(cc3)Br 62a_100000723655_100000189115 [1,1,0,0,0,0|1,1,0]=4 469 B22R3.15336736 Nc1ccc2c(cccc2n1)SCc3ccc(cc3)Cl 62a_100000723655_100000187161 [1,1,0,0,0,0|1,1,0]=4 470 B22R3.15336736 Nc1ccc2c(cccc2n1)SCc3ccc(cc3)F 62a_100000723655_100000187164 [1,1,0,0,0,0|1,1,0]=4 471 B22R3.15336736 Nc1ccc2c(cccc2n1)SCc3ccc(cc3)I 62a_100000723655_100000189116 [1,1,0,0,0,0|1,1,0]=4 472 B22R3.15336736 Nc1ncc2c(cccc2n1)C=Cc3ccc(cc3)Br 271570a_100102527914_100010209551 [1,1,0,0,0,0|1,0,1]=4 473 B22R3.15336736 Nc1ncc2c(cccc2n1)C=Cc3ccc(cc3)Cl 271570a_100102527930_100010209551 [1,1,0,0,0,0|1,0,1]=4 474 B22R3.15336736 Nc1ncc2c(cccc2n1)C=Cc3ccc(cc3)F 271570a_100102525539_100010209551 [1,1,0,0,0,0|1,0,1]=4 475 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cc3)Br 27a_100000174875_100010209551 [1,1,0,0,0,0|1,0,0]=3 476 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cc3)Cl 27a_100000174871_100010209551 [1,1,0,0,0,0|1,0,0]=3 477 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cc3)F 27a_100000174882_100010209551 [1,1,0,0,0,0|1,0,0]=3 478 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cc3)I 27a_100016989417_100010209551 [1,1,0,0,0,0|1,0,0]=3 479 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cc3)O 27a_100000185549_100010209551 [1,1,0,0,0,0|1,0,0]=3 480 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cn3)Br 27a_100015188789_100010209551 [1,1,0,0,0,0|2,0,0]=4 481 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cn3)Cl 27a_100000697193_100010209551 [1,1,0,0,0,0|2,0,0]=4 482 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cn3)F 27a_100020620131_100010209551 [1,1,0,0,0,0|2,0,0]=4 483 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(cn3)O 27a_100020605196_100010209551 [1,1,0,0,0,0|2,0,0]=4 484 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(nc3)Br 27a_100009817727_100010209551 [1,1,0,0,0,0|2,0,0]=4 485 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(nc3)Cl 27a_100000735879_100010209551 [1,1,0,0,0,0|2,0,0]=4 486 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(nc3)F 27a_100000101913_100010209551 [1,1,0,0,0,0|2,0,0]=4 487 B22R3.15336736 Nc1ncc2c(cccc2n1)NCc3ccc(nc3)O 27a_100000757128_100010209551 [1,1,0,0,0,0|2,0,0]=4 488 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)Br 62a_100000189115_100010209551 [1,1,0,0,0,0|0,1,0]=3 489 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)Br 62a_100010209551_100000189115 [1,1,0,0,0,0|0,1,0]=3 490 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)Cl 62a_100000187161_100010209551 [1,1,0,0,0,0|0,1,0]=3 491 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)Cl 62a_100010209551_100000187161 [1,1,0,0,0,0|0,1,0]=3 492 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)F 62a_100000198546_100010209551 [1,1,0,0,0,0|0,1,0]=3 493 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)F 62a_100010209551_100000187164 [1,1,0,0,0,0|0,1,0]=3 494 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)I 62a_100000189116_100010209551 [1,1,0,0,0,0|0,1,0]=3 495 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cc3)I 62a_100010209551_100000189116 [1,1,0,0,0,0|0,1,0]=3 496 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)Br 62a_100000702658_100010209551 [1,1,0,0,0,0|1,1,0]=4 497 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)Br 62a_100010209551_100000702658 [1,1,0,0,0,0|1,1,0]=4 498 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)Cl 62a_100010209551_100000697101 [1,1,0,0,0,0|1,1,0]=4 499 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)Cl 62a_100012066911_100010209551 [1,1,0,0,0,0|1,1,0]=4 500 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)F 62a_100000703193_100010209551 [1,1,0,0,0,0|1,1,0]=4 501 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(cn3)F 62a_100010209551_100000703193 [1,1,0,0,0,0|1,1,0]=4 502 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)Br 62a_100009831999_100010209551 [1,1,0,0,0,0|1,1,0]=4 503 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)Br 62a_100010209551_100009831999 [1,1,0,0,0,0|1,1,0]=4 504 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)Cl 62a_100000735431_100010209551 [1,1,0,0,0,0|1,1,0]=4 505 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)Cl 62a_100010209551_100000735431 [1,1,0,0,0,0|1,1,0]=4 506 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)F 62a_100009820150_100010209551 [1,1,0,0,0,0|1,1,0]=4 507 B22R3.15336736 Nc1ncc2c(cccc2n1)SCc3ccc(nc3)F 62a_100010209551_100000099788 [1,1,0,0,0,0|1,1,0]=4 508 B22R3.670680 Cc1ccccc1CNc2cccc3c2c(ncn3)N 27a_100000174972_100010171649 [1,1,0,0,0,0|1,0,0]=3 509 B22R3.670680 Cc1ccccc1CSc2cccc3c2c(ncc3)N 62a_100010291105_100000211839 [1,1,0,0,0,0|1,1,0]=4 510 B22R3.670680 Cc1ccccc1CSc2cccc3c2c(ncn3)N 62a_100010171649_100000211839 [1,1,0,0,0,0|0,1,0]=3 511 B22R3.670680 Cc1cccnc1CNc2cccc3c2c(ncn3)N 27a_100011223789_100010171649 [1,1,0,0,0,0|2,0,0]=4 512 B22R3.670680 Cc1cccnc1CSc2cccc3c2c(ncn3)N 62a_100010171649_100000696600 [1,1,0,0,0,0|1,1,0]=4 513 B22R3.670680 Cc1ccncc1CNc2cccc3c2c(ncn3)N 27a_100011997553_100010171649 [1,1,0,0,0,0|2,0,0]=4 514 B22R3.670680 Cc1ccncc1CSc2cccc3c2c(ncn3)N 62a_100010171649_100000690890 [1,1,0,0,0,0|1,1,0]=4 515 B22R3.670680 Cc1cnccc1CNc2cccc3c2c(ncn3)N 27a_100000708811_100010171649 [1,1,0,0,0,0|2,0,0]=4 516 B22R3.670680 Cc1cnccc1CSc2cccc3c2c(ncn3)N 62a_100010171649_100020672808 [1,1,0,0,0,0|1,1,0]=4 517 B22R3.670680 Cc1ncccc1CSc2cccc3c2c(ncn3)N 62a_100010171649_100000732876 [1,1,0,0,0,0|1,1,0]=4 518 B22R3.670680 Nc1nccc2c1c(ccc2)SCc3ccccc3Br 62a_100010291105_100000184730 [1,1,0,0,0,0|1,1,0]=4 519 B22R3.670680 Nc1nccc2c1c(ccc2)SCc3ccccc3Cl 62a_100010291105_100000187162 [1,1,0,0,0,0|1,1,0]=4 520 B22R3.670680 Nc1nccc2c1c(ccc2)SCc3ccccc3F 62a_100010291105_100000211605 [1,1,0,0,0,0|1,1,0]=4 521 B22R3.670680 Nc1nccc2c1c(ccc2)SCc3ccccc3I 62a_100010291105_100011216222 [1,1,0,0,0,0|1,1,0]=4 522 B22R3.670680 Nc1ncnc2c1c(ccc2)C=Cc3ccccc3F 271570a_200102527919_100010171649 [1,1,0,0,0,0|1,0,1]=4 523 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccccc3Br 27a_100000689332_100010171649 [1,1,0,0,0,0|1,0,0]=3 524 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccccc3Cl 27a_100000174879_100010171649 [1,1,0,0,0,0|1,0,0]=3 525 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccccc3F 27a_100000174869_100010171649 [1,1,0,0,0,0|1,0,0]=3 526 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccccc3I 27a_100015347259_100010171649 [1,1,0,0,0,0|1,0,0]=3 527 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccccc3O 27a_100000185550_100010171649 [1,1,0,0,0,0|1,0,0]=3 528 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3cccnc3Br 27a_100009818023_100010171649 [1,1,0,0,0,0|2,0,0]=4 529 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3cccnc3Cl 27a_100015189234_100010171649 [1,1,0,0,0,0|2,0,0]=4 530 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3cccnc3F 27a_100000724633_100010171649 [1,1,0,0,0,0|2,0,0]=4 531 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccncc3Br 27a_100020640021_100010171649 [1,1,0,0,0,0|2,0,0]=4 532 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ccncc3F 27a_100011935246_100010171649 [1,1,0,0,0,0|2,0,0]=4 533 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ncccc3Br 27a_100020591323_100010171649 [1,1,0,0,0,0|2,0,0]=4 534 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ncccc3Cl 27a_100015189233_100010171649 [1,1,0,0,0,0|2,0,0]=4 535 B22R3.670680 Nc1ncnc2c1c(ccc2)NCc3ncccc3F 27a_100000690088_100010171649 [1,1,0,0,0,0|2,0,0]=4 536 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ccccc3Br 62a_100010171649_100000184730 [1,1,0,0,0,0|0,1,0]=3 537 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ccccc3Cl 62a_100010171649_100000187162 [1,1,0,0,0,0|0,1,0]=3 538 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ccccc3F 62a_100010171649_100000211605 [1,1,0,0,0,0|0,1,0]=3 539 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ccccc3I 62a_100010171649_100011216222 [1,1,0,0,0,0|0,1,0]=3 540 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3cccnc3Br 62a_100010171649_100010140945 [1,1,0,0,0,0|1,1,0]=4 541 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3cccnc3Cl 62a_100010171649_100000045678 [1,1,0,0,0,0|1,1,0]=4 542 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3cccnc3F 62a_100010171649_100000099810 [1,1,0,0,0,0|1,1,0]=4 543 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ccncc3Cl 62a_100010171649_100000763264 [1,1,0,0,0,0|1,1,0]=4 544 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ncccc3Br 62a_100010171649_100025702911 [1,1,0,0,0,0|1,1,0]=4 545 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ncccc3Cl 62a_100010171649_100000099807 [1,1,0,0,0,0|1,1,0]=4 546 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ncccc3F 62a_100010171649_100000104219 [1,1,0,0,0,0|1,1,0]=4 547 B22R3.670680 Nc1ncnc2c1c(ccc2)SCc3ncccc3O 62a_100010171649_200020655725 [1,1,0,0,0,0|1,1,0]=4 548 B22R3.1028997 Cc1ccc(cc1)C=Cc2cccc3c2c(ncn3)N 271570a_100102527916_100010171649 [1,1,0,0,0,0|1,0,1]=4 549 B22R3.1028997 Cc1ccc(cc1)CNc2cccc3c2c(ncn3)N 27a_100000174908_100010171649 [1,1,0,0,0,0|1,0,0]=3 550 B22R3.1028997 Cc1ccc(cc1)CSc2cccc3c2c(ncc3)N 62a_100010291105_100000210814 [1,1,0,0,0,0|1,1,0]=4 551 B22R3.1028997 Cc1ccc(cc1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000210814 [1,1,0,0,0,0|0,1,0]=3 552 B22R3.1028997 Cc1ccc(cn1)CNc2cccc3c2c(ncn3)N 27a_100000740942_100010171649 [1,1,0,0,0,0|2,0,0]=4 553 B22R3.1028997 Cc1ccc(cn1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100016987292 [1,1,0,0,0,0|1,1,0]=4 554 B22R3.1028997 Cc1ccc(nc1)CNc2cccc3c2c(ncn3)N 27a_100015187455_100010171649 [1,1,0,0,0,0|2,0,0]=4 555 B22R3.1028997 Cc1ccc(nc1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000691093 [1,1,0,0,0,0|1,1,0]=4 556 B22R3.1028997 Nc1nccc2c1c(ccc2)SCc3ccc(cc3)Br 62a_100010291105_100000189115 [1,1,0,0,0,0|1,1,0]=4 557 B22R3.1028997 Nc1nccc2c1c(ccc2)SCc3ccc(cc3)Cl 62a_100010291105_100000187161 [1,1,0,0,0,0|1,1,0]=4 558 B22R3.1028997 Nc1nccc2c1c(ccc2)SCc3ccc(cc3)F 62a_100010291105_100000187164 [1,1,0,0,0,0|1,1,0]=4 559 B22R3.1028997 Nc1nccc2c1c(ccc2)SCc3ccc(cc3)I 62a_100010291105_100000189116 [1,1,0,0,0,0|1,1,0]=4 560 B22R3.1028997 Nc1ncnc2c1c(ccc2)C=Cc3ccc(cc3)Br 271570a_100102527914_100010171649 [1,1,0,0,0,0|1,0,1]=4 561 B22R3.1028997 Nc1ncnc2c1c(ccc2)C=Cc3ccc(cc3)Cl 271570a_100102527930_100010171649 [1,1,0,0,0,0|1,0,1]=4 562 B22R3.1028997 Nc1ncnc2c1c(ccc2)C=Cc3ccc(cc3)F 271570a_100102525539_100010171649 [1,1,0,0,0,0|1,0,1]=4 563 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cc3)Br 27a_100000174875_100010171649 [1,1,0,0,0,0|1,0,0]=3 564 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cc3)Cl 27a_100000174871_100010171649 [1,1,0,0,0,0|1,0,0]=3 565 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cc3)F 27a_100000174882_100010171649 [1,1,0,0,0,0|1,0,0]=3 566 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cc3)I 27a_100016989417_100010171649 [1,1,0,0,0,0|1,0,0]=3 567 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cc3)O 27a_100000185549_100010171649 [1,1,0,0,0,0|1,0,0]=3 568 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cn3)Br 27a_100015188789_100010171649 [1,1,0,0,0,0|2,0,0]=4 569 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cn3)Cl 27a_100000697193_100010171649 [1,1,0,0,0,0|2,0,0]=4 570 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cn3)F 27a_100020620131_100010171649 [1,1,0,0,0,0|2,0,0]=4 571 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(cn3)O 27a_100020605196_100010171649 [1,1,0,0,0,0|2,0,0]=4 572 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(nc3)Br 27a_100009817727_100010171649 [1,1,0,0,0,0|2,0,0]=4 573 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(nc3)Cl 27a_100000735879_100010171649 [1,1,0,0,0,0|2,0,0]=4 574 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(nc3)F 27a_100000101913_100010171649 [1,1,0,0,0,0|2,0,0]=4 575 B22R3.1028997 Nc1ncnc2c1c(ccc2)NCc3ccc(nc3)O 27a_100000757128_100010171649 [1,1,0,0,0,0|2,0,0]=4 576 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cc3)Br 62a_100010171649_100000189115 [1,1,0,0,0,0|0,1,0]=3 577 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cc3)Cl 62a_100010171649_100000187161 [1,1,0,0,0,0|0,1,0]=3 578 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cc3)F 62a_100010171649_100000187164 [1,1,0,0,0,0|0,1,0]=3 579 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cc3)I 62a_100010171649_100000189116 [1,1,0,0,0,0|0,1,0]=3 580 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cn3)Br 62a_100010171649_100000702658 [1,1,0,0,0,0|1,1,0]=4 581 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cn3)Cl 62a_100010171649_100000697101 [1,1,0,0,0,0|1,1,0]=4 582 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(cn3)F 62a_100010171649_100000703193 [1,1,0,0,0,0|1,1,0]=4 583 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(nc3)Br 62a_100010171649_100009831999 [1,1,0,0,0,0|1,1,0]=4 584 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(nc3)Cl 62a_100010171649_100000735431 [1,1,0,0,0,0|1,1,0]=4 585 B22R3.1028997 Nc1ncnc2c1c(ccc2)SCc3ccc(nc3)F 62a_100010171649_100000099788 [1,1,0,0,0,0|1,1,0]=4 586 B22R3.5442324 Cc1cc(ccn1)CNc2cccc3c2c(ncn3)N 27a_100011934566_100010171649 [1,1,0,0,0,0|2,0,0]=4 587 B22R3.5442324 Cc1cc(ccn1)CSc2cccc3c2c(ncn3)N 62a_100010171649_200020672517 [1,1,0,0,0,0|1,1,0]=4 588 B22R3.5442324 Cc1cccc(c1)C=Cc2cccc3c2c(ncn3)N 271570a_200135466880_100010171649 [1,1,0,0,0,0|1,0,1]=4 589 B22R3.5442324 Cc1cccc(c1)CNc2cccc3c2c(ncn3)N 27a_100000185548_100010171649 [1,1,0,0,0,0|1,0,0]=3 590 B22R3.5442324 Cc1cccc(c1)CSc2cccc3c2c(ncc3)N 62a_100010291105_100000211840 [1,1,0,0,0,0|1,1,0]=4 591 B22R3.5442324 Cc1cccc(c1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000211840 [1,1,0,0,0,0|0,1,0]=3 592 B22R3.5442324 Cc1cccc(n1)CNc2cccc3c2c(ncn3)N 27a_100000701342_100010171649 [1,1,0,0,0,0|2,0,0]=4 593 B22R3.5442324 Cc1cccc(n1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000757606 [1,1,0,0,0,0|1,1,0]=4 594 B22R3.5442324 Cc1ccnc(c1)CNc2cccc3c2c(ncn3)N 27a_100011934573_100010171649 [1,1,0,0,0,0|2,0,0]=4 595 B22R3.5442324 Cc1ccnc(c1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000718516 [1,1,0,0,0,0|1,1,0]=4 596 B22R3.5442324 Cc1cncc(c1)CNc2cccc3c2c(ncn3)N 27a_100000692839_100010171649 [1,1,0,0,0,0|2,0,0]=4 597 B22R3.5442324 Cc1cncc(c1)CSc2cccc3c2c(ncn3)N 62a_100010171649_100000716715 [1,1,0,0,0,0|1,1,0]=4 598 B22R3.5442324 Nc1nccc2c1c(ccc2)SCc3cccc(c3)Br 62a_100010291105_100000211773 [1,1,0,0,0,0|1,1,0]=4 599 B22R3.5442324 Nc1nccc2c1c(ccc2)SCc3cccc(c3)Cl 62a_100010291105_100000187163 [1,1,0,0,0,0|1,1,0]=4 600 B22R3.5442324 Nc1nccc2c1c(ccc2)SCc3cccc(c3)F 62a_100010291105_100000230114 [1,1,0,0,0,0|1,1,0]=4 601 B22R3.5442324 Nc1nccc2c1c(ccc2)SCc3cccc(c3)I 62a_100010291105_100011218688 [1,1,0,0,0,0|1,1,0]=4 602 B22R3.5442324 Nc1nccc2c1c(ccc2)SCc3cccc(c3)O 62a_100010291105_100011660834 [1,1,0,0,0,0|1,1,0]=4 603 B22R3.5442324 Nc1ncnc2c1c(ccc2)C=Cc3cccc(c3)Cl 271570a_100102525933_100010171649 [1,1,0,0,0,0|1,0,1]=4 604 B22R3.5442324 Nc1ncnc2c1c(ccc2)C=Cc3cccc(c3)F 271570a_100102525537_100010171649 [1,1,0,0,0,0|1,0,1]=4 605 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cc(ccn3)Br 27a_100009818019_100010171649 [1,1,0,0,0,0|2,0,0]=4 606 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cc(ccn3)Cl 27a_100000085674_100010171649 [1,1,0,0,0,0|2,0,0]=4 607 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(c3)Br 27a_100000174977_100010171649 [1,1,0,0,0,0|1,0,0]=3 608 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(c3)Cl 27a_100000174878_100010171649 [1,1,0,0,0,0|1,0,0]=3 609 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(c3)F 27a_100000174948_100010171649 [1,1,0,0,0,0|1,0,0]=3 610 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(c3)I 27a_100000106179_100010171649 [1,1,0,0,0,0|1,0,0]=3 611 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(c3)O 27a_100000743036_100010171649 [1,1,0,0,0,0|1,0,0]=3 612 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(n3)Br 27a_100016987751_100010171649 [1,1,0,0,0,0|2,0,0]=4 613 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(n3)Cl 27a_100016990191_100010171649 [1,1,0,0,0,0|2,0,0]=4 614 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cccc(n3)F 27a_100015188798_100010171649 [1,1,0,0,0,0|2,0,0]=4 615 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3ccnc(c3)Br 27a_100025757509_100010171649 [1,1,0,0,0,0|2,0,0]=4 616 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3ccnc(c3)Cl 27a_100015205668_100010171649 [1,1,0,0,0,0|2,0,0]=4 617 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3ccnc(c3)F 27a_100015188774_100010171649 [1,1,0,0,0,0|2,0,0]=4 618 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3ccnc(c3)O 27a_100000748557_100010171649 [1,1,0,0,0,0|2,0,0]=4 619 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cncc(c3)Br 27a_100011249555_100010171649 [1,1,0,0,0,0|2,0,0]=4 620 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cncc(c3)Cl 27a_200020614424_100010171649 [1,1,0,0,0,0|2,0,0]=4 621 B22R3.5442324 Nc1ncnc2c1c(ccc2)NCc3cncc(c3)F 27a_100011962886_100010171649 [1,1,0,0,0,0|2,0,0]=4 622 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cc(ccn3)Br 62a_100010171649_100010173614 [1,1,0,0,0,0|1,1,0]=4 623 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cc(ccn3)Cl 62a_100010171649_100016988179 [1,1,0,0,0,0|1,1,0]=4 624 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(c3)Br 62a_100010171649_100000211773 [1,1,0,0,0,0|0,1,0]=3 625 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(c3)Cl 62a_100010171649_100000187163 [1,1,0,0,0,0|0,1,0]=3 626 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(c3)F 62a_100010171649_100000230114 [1,1,0,0,0,0|0,1,0]=3 627 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(c3)I 62a_100010171649_100011218688 [1,1,0,0,0,0|0,1,0]=3 628 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(c3)O 62a_100010171649_100011660834 [1,1,0,0,0,0|0,1,0]=3 629 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(n3)Br 62a_100010171649_100009889011 [1,1,0,0,0,0|1,1,0]=4 630 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(n3)Cl 62a_100010171649_100000086093 [1,1,0,0,0,0|1,1,0]=4 631 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cccc(n3)F 62a_100010171649_100009819644 [1,1,0,0,0,0|1,1,0]=4 632 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3ccnc(c3)Br 62a_100010171649_100010243470 [1,1,0,0,0,0|1,1,0]=4 633 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3ccnc(c3)Cl 62a_100010171649_100000764220 [1,1,0,0,0,0|1,1,0]=4 634 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cncc(c3)Br 62a_100010171649_100000738771 [1,1,0,0,0,0|1,1,0]=4 635 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cncc(c3)Cl 62a_100010171649_100016992070 [1,1,0,0,0,0|1,1,0]=4 636 B22R3.5442324 Nc1ncnc2c1c(ccc2)SCc3cncc(c3)F 62a_100010171649_100000725299 [1,1,0,0,0,0|1,1,0]=4 637 B22R3.10325616 CN(Cc1ccccc1)c2cccc3c2c(ncn3)N 27a_100000186898_100010171649 [1,1,0,0,0,0|1,0,0]=3 638 B22R3.10325616 CN(Cc1ccccn1)c2cccc3c2c(ncn3)N 27a_100000207498_100010171649 [1,1,0,0,0,0|2,0,0]=4 639 B22R3.10325616 CN(Cc1cccnc1)c2cccc3c2c(ncn3)N 27a_100000184577_100010171649 [1,1,0,0,0,0|2,0,0]=4 640 B22R3.10325616 CN(Cc1ccncc1)c2cccc3c2c(ncn3)N 27a_100000187231_100010171649 [1,1,0,0,0,0|2,0,0]=4 641 B22R3.10325627 CC(Cc1cccc2c1c(ncc2)N)c3ccccc3 271570a_100000062452_100010291105 [1,1,0,0,0,0|2,0,0]=4 642 B22R3.10325627 CC(Cc1cccc2c1c(ncn2)N)c3ccccc3 271570a_100000062452_100010171649 [1,1,0,0,0,0|1,0,0]=3 643 B22R3.10325627 CC(Nc1cccc2c1c(ncn2)N)c3ccccn3 27a_100000181244_100010171649 [1,1,0,0,0,0|2,0,0]=4 644 B22R3.10325627 CC(Nc1cccc2c1c(ncn2)N)c3cccnc3 27a_100000195435_100010171649 [1,1,0,0,0,0|2,0,0]=4 645 B22R3.10325627 CC(Nc1cccc2c1c(ncn2)N)c3ccncc3 27a_100000181269_100010171649 [1,1,0,0,0,0|2,0,0]=4 646 B22R3.10325627 CC(Sc1cccc2c1c(ncc2)N)c3ccccc3 62a_100010291105_100000230085 [1,1,0,0,0,0|1,1,0]=4 647 B22R3.10325627 CC(Sc1cccc2c1c(ncn2)N)c3ccccc3 62a_100010171649_100000230085 [1,1,0,0,0,0|0,1,0]=3 648 B22R3.10325627 C[C@@H](Nc1cccc2c1c(ncn2)N)c3ccccc3 27a_100000751104_100010171649 [1,1,0,0,0,0|1,0,0]=3 649 B22R3.380579 C=C(c1ccccc1)c2cccc3c2c(nc(n3)N)N 271570a_100000068269_200011217714 [0,1,0,0,1,0|0,0,1]=3 650 B22R3.5325934 Cc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000186775 [0,1,0,0,1,0|0,1,0]=3 651 B22R3.5325934 Cc1ccc(cn1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000751577 [0,1,0,0,1,0|1,1,0]=4 652 B22R3.5325934 Cc1ccc(nc1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000754016 [0,1,0,0,1,0|1,1,0]=4 653 B22R3.5325934 Nc1ccc(cc1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000185761 [0,1,0,0,1,0|0,1,0]=3 654 B22R3.5325934 Nc1ccc(cn1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000187370 [0,1,0,0,1,0|1,1,0]=4 655 B22R3.5325934 Nc1ccc(nc1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000737798 [0,1,0,0,1,0|1,1,0]=4 656 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3cc[n+](cc3)[O-])N 62a_200011217714_100000039755 [0,1,0,0,1,0|1,1,0]=4 657 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(=O)[nH]c3)N 62a_200011217714_100000212171 [0,1,0,0,1,0|1,1,0]=4 658 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cc3)Br)N 62a_200011217714_100000752885 [0,1,0,0,1,0|0,1,0]=3 659 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cc3)Cl)N 62a_200011217714_100000755918 [0,1,0,0,1,0|0,1,0]=3 660 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cc3)F)N 62a_200011217714_100000211213 [0,1,0,0,1,0|0,1,0]=3 661 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cc3)O)N 62a_200011217714_100000185759 [0,1,0,0,1,0|0,1,0]=3 662 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cn3)Br)N 62a_200011217714_100000686858 [0,1,0,0,1,0|1,1,0]=4 663 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cn3)Cl)N 62a_200011217714_100011356976 [0,1,0,0,1,0|1,1,0]=4 664 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cn3)F)N 62a_200011217714_100000744514 [0,1,0,0,1,0|1,1,0]=4 665 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(cn3)O)N 62a_200011217714_100000744096 [0,1,0,0,1,0|1,1,0]=4 666 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(nc3)Br)N 62a_200011217714_100009814638 [0,1,0,0,1,0|1,1,0]=4 667 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(nc3)Cl)N 62a_200011217714_100000034144 [0,1,0,0,1,0|1,1,0]=4 668 B22R3.5325934 Nc1nc(c2c(cccc2n1)Sc3ccc(nc3)F)N 62a_200011217714_100000042367 [0,1,0,0,1,0|1,1,0]=4 669 B22R3.5452814 C[n+]1cccc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009996589 [0,1,0,0,1,0|1,1,0]=4 670 B22R3.5452814 Cc1cc(ccn1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000758586 [0,1,0,0,1,0|1,1,0]=4 671 B22R3.5452814 Cc1cccc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011215228 [0,1,0,0,1,0|0,1,0]=3 672 B22R3.5452814 Cc1cccc(n1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000742759 [0,1,0,0,1,0|1,1,0]=4 673 B22R3.5452814 Cc1ccnc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000750283 [0,1,0,0,1,0|1,1,0]=4 674 B22R3.5452814 Cc1cncc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000760492 [0,1,0,0,1,0|1,1,0]=4 675 B22R3.5452814 Nc1cc(ccn1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000049665 [0,1,0,0,1,0|1,1,0]=4 676 B22R3.5452814 Nc1cccc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000210019 [0,1,0,0,1,0|0,1,0]=3 677 B22R3.5452814 Nc1cccc(n1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000740741 [0,1,0,0,1,0|1,1,0]=4 678 B22R3.5452814 Nc1ccnc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009814236 [0,1,0,0,1,0|1,1,0]=4 679 B22R3.5452814 Nc1cncc(c1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000687067 [0,1,0,0,1,0|1,1,0]=4 680 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cc(ccn3)Cl)N 62a_200011217714_100010167805 [0,1,0,0,1,0|1,1,0]=4 681 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cc(ccn3)F)N 62a_200011217714_100000764206 [0,1,0,0,1,0|1,1,0]=4 682 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cc(ccn3)O)N 62a_200011217714_100000762945 [0,1,0,0,1,0|1,1,0]=4 683 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cc[nH]c(=O)c3)N 62a_200011217714_100009816521 [0,1,0,0,1,0|1,1,0]=4 684 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3ccc[n+](c3)[O-])N 62a_200011217714_100009815978 [0,1,0,0,1,0|1,1,0]=4 685 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(=O)[nH]3)N 62a_200011217714_100000752884 [0,1,0,0,1,0|1,1,0]=4 686 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(c3)Br)N 62a_200011217714_100000691529 [0,1,0,0,1,0|0,1,0]=3 687 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(c3)Cl)N 62a_200011217714_100000699651 [0,1,0,0,1,0|0,1,0]=3 688 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(c3)F)N 62a_200011217714_100000685547 [0,1,0,0,1,0|0,1,0]=3 689 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(c3)O)N 62a_200011217714_100000211634 [0,1,0,0,1,0|0,1,0]=3 690 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(c3)[S])N 62a_200011217714_114929384022 [0,1,0,0,1,0|0,1,0]=3 691 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(n3)Br)N 62a_200011217714_100000684672 [0,1,0,0,1,0|1,1,0]=4 692 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(n3)Cl)N 62a_200011217714_100000051397 [0,1,0,0,1,0|1,1,0]=4 693 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cccc(n3)F)N 62a_200011217714_100009815982 [0,1,0,0,1,0|1,1,0]=4 694 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3ccnc(c3)Br)N 62a_200011217714_100009814637 [0,1,0,0,1,0|1,1,0]=4 695 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3ccnc(c3)Cl)N 62a_200011217714_100000035001 [0,1,0,0,1,0|1,1,0]=4 696 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3ccnc(c3)F)N 62a_200011217714_100009816116 [0,1,0,0,1,0|1,1,0]=4 697 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cncc(c3)Br)N 62a_200011217714_100000728054 [0,1,0,0,1,0|1,1,0]=4 698 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cncc(c3)Cl)N 62a_200011217714_100000049639 [0,1,0,0,1,0|1,1,0]=4 699 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cncc(c3)F)N 62a_200011217714_100000744099 [0,1,0,0,1,0|1,1,0]=4 700 B22R3.5452814 Nc1nc(c2c(cccc2n1)Sc3cncc(c3)O)N 62a_200011217714_100000754920 [0,1,0,0,1,0|1,1,0]=4 701 B22R3.6681363 C[n+]1ccccc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000212160 [0,1,0,0,1,0|1,1,0]=4 702 B22R3.6681363 Cc1ccccc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000210755 [0,1,0,0,1,0|0,1,0]=3 703 B22R3.6681363 Cc1cccnc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000751373 [0,1,0,0,1,0|1,1,0]=4 704 B22R3.6681363 Cc1ccncc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000761580 [0,1,0,0,1,0|1,1,0]=4 705 B22R3.6681363 Cc1cnccc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000765111 [0,1,0,0,1,0|1,1,0]=4 706 B22R3.6681363 Cc1ncccc1Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000751574 [0,1,0,0,1,0|1,1,0]=4 707 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3c[nH]ccc3=O)N 62a_200011217714_100009998708 [0,1,0,0,1,0|1,1,0]=4 708 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3c[nH]ccc3=S)N 62a_200011217714_200012280681 [0,1,0,0,1,0|1,1,0]=4 709 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccc[n+]3[O-])N 62a_200011217714_200000042595 [0,1,0,0,1,0|1,1,0]=4 710 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccccc3Br)N 62a_200011217714_100000695589 [0,1,0,0,1,0|0,1,0]=3 711 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccccc3Cl)N 62a_200011217714_100000764095 [0,1,0,0,1,0|0,1,0]=3 712 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccccc3F)N 62a_200011217714_100011215700 [0,1,0,0,1,0|0,1,0]=3 713 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccccc3N)N 62a_200011217714_100000210017 [0,1,0,0,1,0|0,1,0]=3 714 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccccc3O)N 62a_200011217714_100000739446 [0,1,0,0,1,0|0,1,0]=3 715 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccnc3Br)N 62a_200011217714_100010202626 [0,1,0,0,1,0|1,1,0]=4 716 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccnc3Cl)N 62a_200011217714_100000036424 [0,1,0,0,1,0|1,1,0]=4 717 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccnc3F)N 62a_200011217714_100009816115 [0,1,0,0,1,0|1,1,0]=4 718 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccnc3N)N 62a_200011217714_100000045569 [0,1,0,0,1,0|1,1,0]=4 719 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cccnc3O)N 62a_200011217714_100000760158 [0,1,0,0,1,0|1,1,0]=4 720 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccncc3Br)N 62a_200011217714_100000726257 [0,1,0,0,1,0|1,1,0]=4 721 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccncc3Cl)N 62a_200011217714_100000708259 [0,1,0,0,1,0|1,1,0]=4 722 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccncc3F)N 62a_200011217714_100000047030 [0,1,0,0,1,0|1,1,0]=4 723 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccncc3N)N 62a_200011217714_100000756074 [0,1,0,0,1,0|1,1,0]=4 724 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ccncc3O)N 62a_200011217714_100009817591 [0,1,0,0,1,0|1,1,0]=4 725 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cnccc3Br)N 62a_200011217714_100010138639 [0,1,0,0,1,0|1,1,0]=4 726 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cnccc3Cl)N 62a_200011217714_100009995489 [0,1,0,0,1,0|1,1,0]=4 727 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cnccc3F)N 62a_200011217714_100009820683 [0,1,0,0,1,0|1,1,0]=4 728 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3cnccc3N)N 62a_200011217714_100000047001 [0,1,0,0,1,0|1,1,0]=4 729 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ncccc3Br)N 62a_200011217714_100000696092 [0,1,0,0,1,0|1,1,0]=4 730 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ncccc3Cl)N 62a_200011217714_100011356963 [0,1,0,0,1,0|1,1,0]=4 731 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ncccc3F)N 62a_200011217714_100000685392 [0,1,0,0,1,0|1,1,0]=4 732 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ncccc3N)N 62a_200011217714_100000688686 [0,1,0,0,1,0|1,1,0]=4 733 B22R3.6681363 Nc1nc(c2c(cccc2n1)Sc3ncccc3O)N 62a_200011217714_100000034122 [0,1,0,0,1,0|1,1,0]=4 734 B22R3.10619059 Nc1nc(c2c(cccc2n1)SCc3ccsc3Br)N 62a_200011217714_100009814289 [0,1,0,0,1,0|1,1,0]=4 735 B22R3.10619059 Nc1nc(c2c(cccc2n1)SCc3ccsc3Cl)N 62a_200011217714_100010167017 [0,1,0,0,1,0|1,1,0]=4 736 B22R3.40912091 Nc1nc(c2c(cccc2n1)SCc3cc(cs3)Br)N 62a_200011217714_100000746031 [0,1,0,0,1,0|1,1,0]=4 737 B22R3.40912091 Nc1nc(c2c(cccc2n1)SCc3ccc(s3)Br)N 62a_200011217714_100000708592 [0,1,0,0,1,0|1,1,0]=4 738 B22R3.40912091 Nc1nc(c2c(cccc2n1)SCc3ccc(s3)Cl)N 62a_200011217714_100000185097 [0,1,0,0,1,0|1,1,0]=4 739 B24R3.2709135 CC(CSc1cccc2c1c(nc(n2)N)N)c3ccccc3 62a_200011217714_100000756946 [0,1,0,0,0,1|0,1,0]=3 740 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)c3ccccc3)N 62a_200011217714_100000211460 [0,1,0,0,0,1|0,1,0]=3 741 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)c3ccccn3)N 62a_200011217714_100000027445 [0,1,0,0,0,1|1,1,0]=4 742 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)c3cccnc3)N 62a_200011217714_100000757877 [0,1,0,0,0,1|1,1,0]=4 743 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(=O)c3ccncc3)N 62a_200011217714_100000027454 [0,1,0,0,0,1|1,1,0]=4 744 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCC(O)c3ccccc3)N 62a_200011217714_100000185958 [0,1,0,0,0,1|0,1,0]=3 745 B24R3.2709135 Nc1nc(c2c(cccc2n1)SCS(=O)c3ccccc3)N 62a_200011217714_100000031784 [0,1,0,0,0,1|0,1,0]=3 746 B24R3.2709135 Nc1nc(c2c(cccc2n1)SC[C@@H](O)c3ccccc3)N 62a_200011217714_100011933945 [0,1,0,0,0,1|0,1,0]=3 747 B24R3.2709138 CC(Cc1ccccc1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_200011218536 [0,1,0,0,0,1|0,1,0]=3 748 B24R3.37769057 Cc1ccc(cc1)CCSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011713686 [0,1,0,0,0,1|0,1,0]=3 749 B24R3.37769057 Nc1nc(c2c(cccc2n1)SCCc3ccc(cc3)Br)N 62a_200011217714_100011740612 [0,1,0,0,0,1|0,1,0]=3 750 B24R3.37769057 Nc1nc(c2c(cccc2n1)SCCc3ccc(cc3)Cl)N 62a_200011217714_100011713675 [0,1,0,0,0,1|0,1,0]=3 751 B24R3.37769057 Nc1nc(c2c(cccc2n1)SCCc3ccc(cc3)F)N 62a_200011217714_100011217392 [0,1,0,0,0,1|0,1,0]=3 752 B24R3.37769057 Nc1nc(c2c(cccc2n1)SCCc3ccc(cc3)O)N 62a_200011217714_100009816426 [0,1,0,0,0,1|0,1,0]=3 753 B24R3.118230770 Cc1cccc(c1)CCSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011713685 [0,1,0,0,0,1|0,1,0]=3 754 B24R3.118230770 Nc1nc(c2c(cccc2n1)SCCc3cccc(c3)Br)N 62a_200011217714_100011740638 [0,1,0,0,0,1|0,1,0]=3 755 B24R3.118230770 Nc1nc(c2c(cccc2n1)SCCc3cccc(c3)Cl)N 62a_200011217714_100011713710 [0,1,0,0,0,1|0,1,0]=3 756 B24R3.118230770 Nc1nc(c2c(cccc2n1)SCCc3cccc(c3)F)N 62a_200011217714_100011217235 [0,1,0,0,0,1|0,1,0]=3 757 B24R3.142912344 Cc1ccccc1CCSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011713688 [0,1,0,0,0,1|0,1,0]=3 758 B24R3.142912344 Nc1nc(c2c(cccc2n1)SCCc3ccccc3Br)N 62a_200011217714_100012161201 [0,1,0,0,0,1|0,1,0]=3 759 B24R3.142912344 Nc1nc(c2c(cccc2n1)SCCc3ccccc3Cl)N 62a_200011217714_100011713703 [0,1,0,0,0,1|0,1,0]=3 760 B24R3.142912344 Nc1nc(c2c(cccc2n1)SCCc3ccccc3F)N 62a_200011217714_100011713696 [0,1,0,0,0,1|0,1,0]=3 761 B24R3.142912344 Nc1nc(c2c(cccc2n1)SCCc3ccccc3O)N 62a_200011217714_100000722297 [0,1,0,0,0,1|0,1,0]=3 762 B24R3.2709137 CC(C)(Sc1cccc2c1c(nc(n2)N)N)c3ccccc3 62a_200011217714_100000034625 [0,2,0,0,0,0|0,1,0]=3 763 B24R3.2709137 Nc1nc(c2c(cccc2n1)SC(F)(F)c3ccccc3)N 62a_200011217714_100000036403 [0,2,0,0,0,0|0,1,0]=3 764 B24R3.37491890 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccc(cc3)Br 62a_200011217714_100000755118 [0,2,0,0,0,0|0,1,0]=3 765 B24R3.37491890 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccc(cc3)Cl 62a_200011217714_100000684792 [0,2,0,0,0,0|0,1,0]=3 766 B24R3.37491890 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccc(cc3)F 62a_200011217714_100000743420 [0,2,0,0,0,0|0,1,0]=3 767 B24R3.37491890 Cc1ccc(cc1)C(C)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011261388 [0,2,0,0,0,0|0,1,0]=3 768 B24R3.123033926 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccccc3Cl 62a_200011217714_100000181259 [0,2,0,0,0,0|0,1,0]=3 769 B24R3.123033926 CC(Sc1cccc2c1c(nc(n2)N)N)c3ccccc3F 62a_200011217714_200000741388 [0,2,0,0,0,0|0,1,0]=3 770 B24R3.420451411 C=CC(Sc1cccc2c1c(nc(n2)N)N)c3ccccc3 62a_200011217714_200000085779 [0,2,0,0,0,0|0,1,0]=3 771 B24R3.45670073 COc1ccccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000210004 [0,2,0,0,0,0|0,1,0]=3 772 B24R3.45670073 COc1cnccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100020635607 [0,2,0,0,0,0|1,1,0]=4 773 B24R3.45670073 COc1ncccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100020631285 [0,2,0,0,0,0|1,1,0]=4 774 B24R3.45670073 CSc1ccccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000699184 [0,2,0,0,0,0|0,1,0]=3 775 B24R3.45670073 N#Cc1ccccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000181865 [0,2,0,0,0,0|0,1,0]=3 776 B24R3.45670073 N#Cc1cccnc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000099805 [0,2,0,0,0,0|1,1,0]=4 777 B24R3.45670073 N#Cc1ncccc1CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011768898 [0,2,0,0,0,0|1,1,0]=4 778 B24R3.45670073 Nc1nc(c2c(cccc2n1)SCc3ccccc3C=O)N 62a_200011217714_200009853537 [0,2,0,0,0,0|0,1,0]=3 779 B24R3.45670073 Nc1nc(c2c(cccc2n1)SCc3ccccc3CO)N 62a_200011217714_100009816955 [0,2,0,0,0,0|0,1,0]=3 780 B24R3.118319707 Cc1c(cccc1CSc2cccc3c2c(nc(n3)N)N)Br 62a_200011217714_100000694682 [0,2,0,0,0,0|0,1,0]=3 781 B24R3.118319707 Cc1c(cccc1CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_100012186920 [0,2,0,0,0,0|0,1,0]=3 782 B24R3.118319707 Cc1c(cccc1CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100009813626 [0,2,0,0,0,0|0,1,0]=3 783 B24R3.118319707 Cc1c(cccc1CSc2cccc3c2c(nc(n3)N)N)I 62a_200011217714_100010150147 [0,2,0,0,0,0|0,1,0]=3 784 B24R3.118319707 Cc1c(ccnc1CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_100020614443 [0,2,0,0,0,0|1,1,0]=4 785 B24R3.118319707 Cc1cccc(c1Br)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200012349612 [0,2,0,0,0,0|0,1,0]=3 786 B24R3.118319707 Cc1cccc(c1C)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011515928 [0,2,0,0,0,0|0,1,0]=3 787 B24R3.118319707 Cc1cccc(c1F)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011216058 [0,2,0,0,0,0|0,1,0]=3 788 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Br)Cl)N 62a_200011217714_100010145525 [0,2,0,0,0,0|0,1,0]=3 789 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Br)F)N 62a_200011217714_100012351116 [0,2,0,0,0,0|0,1,0]=3 790 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Br)I)N 62a_200011217714_100010254545 [0,2,0,0,0,0|0,1,0]=3 791 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Cl)Br)N 62a_200011217714_100012349491 [0,2,0,0,0,0|0,1,0]=3 792 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Cl)Cl)N 62a_200011217714_100000723366 [0,2,0,0,0,0|0,1,0]=3 793 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3Cl)F)N 62a_200011217714_100000696688 [0,2,0,0,0,0|0,1,0]=3 794 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3F)Br)N 62a_200011217714_100012356506 [0,2,0,0,0,0|0,1,0]=3 795 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3F)Cl)N 62a_200011217714_100000716733 [0,2,0,0,0,0|0,1,0]=3 796 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3F)F)N 62a_200011217714_100000217499 [0,2,0,0,0,0|0,1,0]=3 797 B24R3.118319707 Nc1nc(c2c(cccc2n1)SCc3cccc(c3I)F)N 62a_200011217714_100010149603 [0,2,0,0,0,0|0,1,0]=3 798 B24R3.123820369 Cc1ccc(c(c1)CSc2cccc3c2c(nc(n3)N)N)C 62a_200011217714_100000184699 [0,2,0,0,0,0|0,1,0]=3 799 B24R3.123820369 Cc1ccc(c(c1)CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_100009871730 [0,2,0,0,0,0|0,1,0]=3 800 B24R3.123820369 Cc1ccc(c(c1)CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100011260760 [0,2,0,0,0,0|0,1,0]=3 801 B24R3.123820369 Cc1ccc(c(n1)CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_200009852033 [0,2,0,0,0,0|1,1,0]=4 802 B24R3.123820369 Cc1ccc(c(n1)CSc2cccc3c2c(nc(n3)N)N)O 62a_200011217714_100020630696 [0,2,0,0,0,0|1,1,0]=4 803 B24R3.123820369 Cc1ccc(cc1CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_100012186985 [0,2,0,0,0,0|0,1,0]=3 804 B24R3.123820369 Cc1ccc(cc1CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100000709795 [0,2,0,0,0,0|0,1,0]=3 805 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Br)Br)N 62a_200011217714_100011982794 [0,2,0,0,0,0|0,1,0]=3 806 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Br)Cl)N 62a_200011217714_100000733903 [0,2,0,0,0,0|0,1,0]=3 807 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Br)F)N 62a_200011217714_100000736370 [0,2,0,0,0,0|0,1,0]=3 808 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Br)I)N 62a_200011217714_100012355412 [0,2,0,0,0,0|0,1,0]=3 809 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Cl)Br)N 62a_200011217714_100000763347 [0,2,0,0,0,0|0,1,0]=3 810 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Cl)Cl)N 62a_200011217714_100000756322 [0,2,0,0,0,0|0,1,0]=3 811 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Cl)F)N 62a_200011217714_100000709952 [0,2,0,0,0,0|0,1,0]=3 812 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3Cl)I)N 62a_200011217714_100010188191 [0,2,0,0,0,0|0,1,0]=3 813 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3F)Br)N 62a_200011217714_100000736399 [0,2,0,0,0,0|0,1,0]=3 814 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3F)Cl)N 62a_200011217714_100000716957 [0,2,0,0,0,0|0,1,0]=3 815 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3F)F)N 62a_200011217714_100000685659 [0,2,0,0,0,0|0,1,0]=3 816 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3F)I)N 62a_200011217714_200010149601 [0,2,0,0,0,0|0,1,0]=3 817 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3I)Br)N 62a_200011217714_100012362523 [0,2,0,0,0,0|0,1,0]=3 818 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3I)Cl)N 62a_200011217714_100012348826 [0,2,0,0,0,0|0,1,0]=3 819 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3I)F)N 62a_200011217714_100010149606 [0,2,0,0,0,0|0,1,0]=3 820 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(ccc3O)F)N 62a_200011217714_100010161318 [0,2,0,0,0,0|0,1,0]=3 821 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(cnc3Br)Br)N 62a_200011217714_100010253922 [0,2,0,0,0,0|1,1,0]=4 822 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3cc(cnc3Cl)Br)N 62a_200011217714_100009816982 [0,2,0,0,0,0|1,1,0]=4 823 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3nc(ccc3Cl)Cl)N 62a_200011217714_100000059412 [0,2,0,0,0,0|1,1,0]=4 824 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3nc(ccc3F)Br)N 62a_200011217714_100010065826 [0,2,0,0,0,0|1,1,0]=4 825 B24R3.123820369 Nc1nc(c2c(cccc2n1)SCc3nc(ccc3F)Cl)N 62a_200011217714_100009881012 [0,2,0,0,0,0|1,1,0]=4 826 B24R3.232798505 Cc1cccc(c1CSc2cccc3c2c(nc(n3)N)N)Br 62a_200011217714_100010146847 [0,2,0,0,0,0|0,1,0]=3 827 B24R3.232798505 Cc1cccc(c1CSc2cccc3c2c(nc(n3)N)N)C 62a_200011217714_100000758300 [0,2,0,0,0,0|0,1,0]=3 828 B24R3.232798505 Cc1cccc(c1CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100009814554 [0,2,0,0,0,0|0,1,0]=3 829 B24R3.232798505 Cc1cccc(c1CSc2cccc3c2c(nc(n3)N)N)I 62a_200011217714_100010150146 [0,2,0,0,0,0|0,1,0]=3 830 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3Br)Cl)N 62a_200011217714_100010138402 [0,2,0,0,0,0|0,1,0]=3 831 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3Br)F)N 62a_200011217714_100012145669 [0,2,0,0,0,0|0,1,0]=3 832 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3Cl)Cl)N 62a_200011217714_100000187851 [0,2,0,0,0,0|0,1,0]=3 833 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3Cl)F)N 62a_200011217714_100000187852 [0,2,0,0,0,0|0,1,0]=3 834 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3F)F)N 62a_200011217714_100000698325 [0,2,0,0,0,0|0,1,0]=3 835 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3I)Br)N 62a_200011217714_100010146611 [0,2,0,0,0,0|0,1,0]=3 836 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cccc3I)F)N 62a_200011217714_100010149602 [0,2,0,0,0,0|0,1,0]=3 837 B24R3.232798505 Nc1nc(c2c(cccc2n1)SCc3c(cncc3Cl)Cl)N 62a_200011217714_200009872113 [0,2,0,0,0,0|1,1,0]=4 838 B24R3.234597626 Cc1cc(ccc1CSc2cccc3c2c(nc(n3)N)N)Br 62a_200011217714_100000708836 [0,2,0,0,0,0|0,1,0]=3 839 B24R3.234597626 Cc1cc(ccc1CSc2cccc3c2c(nc(n3)N)N)Cl 62a_200011217714_100012361307 [0,2,0,0,0,0|0,1,0]=3 840 B24R3.234597626 Cc1cc(ccc1CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100000700533 [0,2,0,0,0,0|0,1,0]=3 841 B24R3.234597626 Cc1cc(ncc1CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100010382440 [0,2,0,0,0,0|1,1,0]=4 842 B24R3.234597626 Cc1ccc(c(c1)C)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011219618 [0,2,0,0,0,0|0,1,0]=3 843 B24R3.234597626 Cc1ccc(c(c1)Cl)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100012349684 [0,2,0,0,0,0|0,1,0]=3 844 B24R3.234597626 Cc1ccc(c(c1)F)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011217900 [0,2,0,0,0,0|0,1,0]=3 845 B24R3.234597626 Cc1ccc(c(n1)Br)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200010064658 [0,2,0,0,0,0|1,1,0]=4 846 B24R3.234597626 Cc1cnc(c(c1)C)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100016990036 [0,2,0,0,0,0|1,1,0]=4 847 B24R3.234597626 Nc1nc(c2c(cccc2n1)C=Cc3ccc(cc3F)F)N 271570a_100102527928_200011217714 [0,2,0,0,0,0|1,0,1]=4 848 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Br)Br)N 62a_200011217714_200012351560 [0,2,0,0,0,0|0,1,0]=3 849 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Br)Cl)N 62a_200011217714_100000755608 [0,2,0,0,0,0|0,1,0]=3 850 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Br)F)N 62a_200011217714_100000243222 [0,2,0,0,0,0|0,1,0]=3 851 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Br)I)N 62a_200011217714_100010146610 [0,2,0,0,0,0|0,1,0]=3 852 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Cl)Br)N 62a_200011217714_100011740631 [0,2,0,0,0,0|0,1,0]=3 853 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Cl)Cl)N 62a_200011217714_100000188473 [0,2,0,0,0,0|0,1,0]=3 854 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3Cl)F)N 62a_200011217714_100000187853 [0,2,0,0,0,0|0,1,0]=3 855 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3F)Br)N 62a_200011217714_100000211606 [0,2,0,0,0,0|0,1,0]=3 856 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3F)Cl)N 62a_200011217714_100000709361 [0,2,0,0,0,0|0,1,0]=3 857 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3F)F)N 62a_200011217714_100000748237 [0,2,0,0,0,0|0,1,0]=3 858 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3F)I)N 62a_200011217714_100010244991 [0,2,0,0,0,0|0,1,0]=3 859 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3I)Br)N 62a_200011217714_100010146615 [0,2,0,0,0,0|0,1,0]=3 860 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3I)Cl)N 62a_200011217714_100010254388 [0,2,0,0,0,0|0,1,0]=3 861 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3I)F)N 62a_200011217714_100012354799 [0,2,0,0,0,0|0,1,0]=3 862 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ccc(nc3Cl)Cl)N 62a_200011217714_100000722033 [0,2,0,0,0,0|1,1,0]=4 863 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3cnc(cc3Cl)Cl)N 62a_200011217714_100011997056 [0,2,0,0,0,0|1,1,0]=4 864 B24R3.234597626 Nc1nc(c2c(cccc2n1)SCc3ncc(cc3F)Cl)N 62a_200011217714_200009879301 [0,2,0,0,0,0|1,1,0]=4 865 B24R3.13186196 C#Cc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000140223 [0,2,0,0,0,0|0,1,0]=3 866 B24R3.13186196 C=Cc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000034074 [0,2,0,0,0,0|0,1,0]=3 867 B24R3.13186196 CCc1ccc(cc1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_200000062238_200011217714 [0,2,0,0,0,0|1,0,1]=4 868 B24R3.13186196 CCc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000747183 [0,2,0,0,0,0|0,1,0]=3 869 B24R3.13186196 COc1ccc(cc1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_100000062342_200011217714 [0,2,0,0,0,0|1,0,1]=4 870 B24R3.13186196 COc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000742318 [0,2,0,0,0,0|0,1,0]=3 871 B24R3.13186196 COc1ccc(cn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100020631284 [0,2,0,0,0,0|1,1,0]=4 872 B24R3.13186196 COc1ccc(nc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200000757186 [0,2,0,0,0,0|1,1,0]=4 873 B24R3.13186196 CSc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000181263 [0,2,0,0,0,0|0,1,0]=3 874 B24R3.13186196 N#Cc1ccc(cc1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_100102527917_200011217714 [0,2,0,0,0,0|1,0,1]=4 875 B24R3.13186196 N#Cc1ccc(cc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000184898 [0,2,0,0,0,0|0,1,0]=3 876 B24R3.13186196 N#Cc1ccc(cn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009816919 [0,2,0,0,0,0|1,1,0]=4 877 B24R3.13186196 N#Cc1ccc(nc1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000693164 [0,2,0,0,0,0|1,1,0]=4 878 B24R3.13186196 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)C=O)N 62a_200011217714_100009816848 [0,2,0,0,0,0|0,1,0]=3 879 B24R3.13186196 Nc1nc(c2c(cccc2n1)SCc3ccc(cc3)CO)N 62a_200011217714_100000067286 [0,2,0,0,0,0|0,1,0]=3 880 B24R3.37504918 Cc1cc(ccc1Br)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000727479 [0,2,0,0,0,0|0,1,0]=3 881 B24R3.37504918 Cc1cc(ccc1Cl)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100012184735 [0,2,0,0,0,0|0,1,0]=3 882 B24R3.37504918 Cc1cc(ccc1F)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011216667 [0,2,0,0,0,0|0,1,0]=3 883 B24R3.37504918 Cc1ccc(cc1Br)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100012232412 [0,2,0,0,0,0|0,1,0]=3 884 B24R3.37504918 Cc1ccc(cc1C)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000742320 [0,2,0,0,0,0|0,1,0]=3 885 B24R3.37504918 Cc1ccc(cc1Cl)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011823929 [0,2,0,0,0,0|0,1,0]=3 886 B24R3.37504918 Cc1ccc(cc1F)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100011217369 [0,2,0,0,0,0|0,1,0]=3 887 B24R3.37504918 Cc1ccc(cc1I)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100010206137 [0,2,0,0,0,0|0,1,0]=3 888 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3cc(=O)c(co3)O)N 62a_200011217714_100000010605 [0,2,0,0,0,0|1,1,0]=4 889 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Br)Br)N 62a_200011217714_100012353900 [0,2,0,0,0,0|0,1,0]=3 890 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Br)Cl)N 62a_200011217714_100012353894 [0,2,0,0,0,0|0,1,0]=3 891 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Br)F)N 62a_200011217714_100011206884 [0,2,0,0,0,0|0,1,0]=3 892 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Cl)Br)N 62a_200011217714_100012353895 [0,2,0,0,0,0|0,1,0]=3 893 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Cl)Cl)N 62a_200011217714_100000184707 [0,2,0,0,0,0|0,1,0]=3 894 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Cl)F)N 62a_200011217714_100011934319 [0,2,0,0,0,0|0,1,0]=3 895 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)Cl)I)N 62a_200011217714_100012349665 [0,2,0,0,0,0|0,1,0]=3 896 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)F)Br)N 62a_200011217714_100000767054 [0,2,0,0,0,0|0,1,0]=3 897 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)F)Cl)N 62a_200011217714_100000716492 [0,2,0,0,0,0|0,1,0]=3 898 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)F)F)N 62a_200011217714_100000757363 [0,2,0,0,0,0|0,1,0]=3 899 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)F)I)N 62a_200011217714_100010149604 [0,2,0,0,0,0|0,1,0]=3 900 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)I)Br)N 62a_200011217714_100010146616 [0,2,0,0,0,0|0,1,0]=3 901 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3ccc(c(c3)I)F)N 62a_200011217714_100010188208 [0,2,0,0,0,0|0,1,0]=3 902 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3cnc(c(c3)Br)F)N 62a_200011217714_200010066439 [0,2,0,0,0,0|1,1,0]=4 903 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3cnc(c(c3)Cl)Cl)N 62a_200011217714_100009843750 [0,2,0,0,0,0|1,1,0]=4 904 B24R3.37504918 Nc1nc(c2c(cccc2n1)SCc3cnc(c(c3)I)Cl)N 62a_200011217714_100011072623 [0,2,0,0,0,0|1,1,0]=4 905 B24R3.73826609 COc1cc(ccn1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100103152439 [0,2,0,0,0,0|1,1,0]=4 906 B24R3.73826609 COc1cccc(c1)C=Cc2cccc3c2c(nc(n3)N)N 271570a_100010186523_200011217714 [0,2,0,0,0,0|1,0,1]=4 907 B24R3.73826609 COc1cccc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000211672 [0,2,0,0,0,0|0,1,0]=3 908 B24R3.73826609 COc1cccc(n1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000755263 [0,2,0,0,0,0|1,1,0]=4 909 B24R3.73826609 COc1ccnc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000752681 [0,2,0,0,0,0|1,1,0]=4 910 B24R3.73826609 N#Cc1cccc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000233786 [0,2,0,0,0,0|0,1,0]=3 911 B24R3.73826609 N#Cc1cccc(n1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000097530 [0,2,0,0,0,0|1,1,0]=4 912 B24R3.73826609 N#Cc1cncc(c1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200020634941 [0,2,0,0,0,0|1,1,0]=4 913 B24R3.73826609 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)C=O)N 62a_200011217714_100009816774 [0,2,0,0,0,0|0,1,0]=3 914 B24R3.73826609 Nc1nc(c2c(cccc2n1)SCc3cccc(c3)CO)N 62a_200011217714_100010188025 [0,2,0,0,0,0|0,1,0]=3 915 B24R3.73826609 Nc1nc(c2c(cccc2n1)SCc3cccc(n3)CO)N 62a_200011217714_100009813551 [0,2,0,0,0,0|1,1,0]=4 916 B24R3.114667886 Cc1cc(cc(c1)CSc2cccc3c2c(nc(n3)N)N)Br 62a_200011217714_100012348363 [0,2,0,0,0,0|0,1,0]=3 917 B24R3.114667886 Cc1cc(cc(c1)CSc2cccc3c2c(nc(n3)N)N)C 62a_200011217714_100000181317 [0,2,0,0,0,0|0,1,0]=3 918 B24R3.114667886 Cc1cc(cc(c1)CSc2cccc3c2c(nc(n3)N)N)F 62a_200011217714_100011219130 [0,2,0,0,0,0|0,1,0]=3 919 B24R3.114667886 Cc1cc(cc(n1)C)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_200000139866 [0,2,0,0,0,0|1,1,0]=4 920 B24R3.114667886 Cc1cc(nc(c1)CSc2cccc3c2c(nc(n3)N)N)C 62a_200011217714_100012357514 [0,2,0,0,0,0|1,1,0]=4 921 B24R3.114667886 Nc1nc(c2c(cccc2n1)C=Cc3cc(cc(c3)F)F)N 271570a_100102527693_200011217714 [0,2,0,0,0,0|1,0,1]=4 922 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)Br)Br)N 62a_200011217714_100011216082 [0,2,0,0,0,0|0,1,0]=3 923 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)Br)F)N 62a_200011217714_100000766940 [0,2,0,0,0,0|0,1,0]=3 924 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)Cl)Cl)N 62a_200011217714_100011219208 [0,2,0,0,0,0|0,1,0]=3 925 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)Cl)F)N 62a_200011217714_100011219885 [0,2,0,0,0,0|0,1,0]=3 926 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)F)F)N 62a_200011217714_100000697002 [0,2,0,0,0,0|0,1,0]=3 927 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)I)Br)N 62a_200011217714_100010146614 [0,2,0,0,0,0|0,1,0]=3 928 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(cc(c3)I)F)N 62a_200011217714_100010149605 [0,2,0,0,0,0|0,1,0]=3 929 B24R3.114667886 Nc1nc(c2c(cccc2n1)SCc3cc(nc(c3)Cl)Cl)N 62a_200011217714_100000052781 [0,2,0,0,0,0|1,1,0]=4 930 B22R3.10561 Nc1cc(nc(n1)N)c2ccnn2Cc3ccccc3 271570a_100010221185_100011177858 [0,0,1,1,0,0|2,0,0]=4 931 B22R3.10582 Nc1cc(nc(n1)N)c2ccccc2c3ccccc3 271570a_100000036471_100011177858 [0,0,1,1,0,0|1,0,1]=4 932 B22R3.10582 Nc1cc(nc(n1)N)c2cccnc2c3ccccc3 271570a_100010760842_100011177858 [0,0,1,1,0,0|1,0,1]=4 933 B22R3.17915 Clc1nc[nH]c1c2cccc(c2)OCc3ccccc3 271570a_100011216330_100010200774 [0,0,1,1,0,0|2,0,0]=4 934 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3c[nH]cn3 62a_100000151840_100000756875 [0,0,1,1,0,0|2,0,0]=4 935 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3c[nH]cn3 62a_100000756875_100000151840 [0,0,1,1,0,0|2,0,0]=4 936 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3nc[nH]n3 62a_100000151840_100000761765 [0,0,1,1,0,0|1,0,1]=4 937 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3nc[nH]n3 62a_100000761765_100000151840 [0,0,1,1,0,0|1,0,1]=4 938 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3ncc[nH]3 62a_100000151840_100025796157 [0,0,1,1,0,0|2,0,0]=4 939 B22R3.74199 c1ccc(cc1)COc2cccc(c2)Sc3ncc[nH]3 62a_100025796157_100000151840 [0,0,1,1,0,0|2,0,0]=4 940 B22R3.717055 Nc1nc(c2ccc(cc2n1)C#Cc3ccccc3)N 271570a_100000069678_100012355061 [0,0,1,1,0,0|1,0,1]=4 941 B22R3.717055 Nc1nc(c2ccc(cc2n1)C=Cc3ccccc3)N 271570a_100102527694_100012355061 [0,0,1,1,0,0|1,0,1]=4 942 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCc3ccccc3)N 62a_100012355061_100015291786 [0,0,1,1,0,0|0,1,0]=3 943 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCc3ccccn3)N 62a_100012355061_100000721315 [0,0,1,1,0,0|1,1,0]=4 944 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCc3cccnc3)N 62a_100012355061_100000741622 [0,0,1,1,0,0|1,1,0]=4 945 B22R3.717055 Nc1nc(c2ccc(cc2n1)SCc3ccncc3)N 62a_100012355061_100015193705 [0,0,1,1,0,0|1,1,0]=4 946 B22R3.32355 Nc1ncc(c(n1)N)c2cccc(c2)c3ccccc3 271570a_100000038562_200010734216 [0,0,1,1,0,0|1,0,1]=4 947 B22R3.260435 Nc1ncc(c(n1)N)c2ccnn2Cc3ccccc3 271570a_100010221185_200010734216 [0,0,1,1,0,0|2,0,0]=4 948 B22R3.10733 Brc1cc([nH]n1)c2ccccc2OCc3ccccc3 271570a_100011218465_100160470719 [0,0,1,1,0,0|2,0,0]=4 949 B22R3.10733 Cc1c[nH]c(n1)c2ccccc2OCc3ccccc3 271570a_100011218465_100161115468 [0,0,1,1,0,0|2,0,0]=4 950 B22R3.10733 Cc1nc(c[nH]1)c2ccccc2OCc3ccccc3 271570a_100011218465_100009814057 [0,0,1,1,0,0|2,0,0]=4 951 B22R3.10733 Cc1nc(n[nH]1)c2ccccc2OCc3ccccc3 271570a_100011218465_100000732540 [0,0,1,1,0,0|1,0,1]=4 952 B22R3.10733 Cc1noc(n1)c2ccccc2OCc3ccccc3 270196a_100000212224_100000183716 [0,0,1,1,0,0|2,0,0]=4 953 B22R3.10733 Cc1nsc(n1)c2ccccc2OCc3ccccc3 271570a_100011218465_100000709739 [0,0,1,1,0,0|2,0,0]=4 954 B22R3.10733 Nc1csc(n1)c2ccccc2OCc3ccccc3 271570a_100011218465_200015188442 [0,0,1,1,0,0|2,0,0]=4 955 B22R3.10733 Nc1nc(cs1)c2ccccc2OCc3ccccc3 271570a_100011218465_100011998049 [0,0,1,1,0,0|2,0,0]=4 956 B22R3.10733 Nc1nc(cs1)c2ccccc2OCc3ccccc3 7a_100000029192_100000211182 [0,0,1,1,0,0|2,0,0]=4 957 B22R3.10733 Nc1nc(n[nH]1)c2ccccc2OCc3ccccc3 271570a_100011218465_100015184587 [0,0,1,1,0,0|0,0,2]=4 958 B22R3.10733 Nc1nnc(s1)c2ccccc2OCc3ccccc3 271570a_100011218465_100000738278 [0,0,1,1,0,0|1,0,1]=4 959 B22R3.337276 Fc1cccc(c1c2c[nH]cn2)OCc3ccccc3 271570a_100010243543_100000756875 [0,0,1,1,0,0|2,0,0]=4 960 B22R3.337276 Fc1cccc(c1c2nc[nH]n2)OCc3ccccc3 271570a_100010243543_100000761765 [0,0,1,1,0,0|1,0,1]=4 961 B22R3.337276 Fc1cccc(c1c2ncc[nH]2)OCc3ccccc3 271570a_100010243543_100025796157 [0,0,1,1,0,0|2,0,0]=4 962 B22R3.27531079 C=Cc1cccc(c1)c2cccc3c2c(nc(n3)N)N 271570a_100010046461_200011217714 [0,0,1,1,0,0|1,0,1]=4 963 B22R3.3768740 C=Cc1ccccc1c2cccc3c2c(nc(n3)N)N 271570a_100000037480_200011217714 [0,0,1,1,0,0|1,0,1]=4 964 B24R4.2594371 Nc1nc(c2c(cccc2n1)c3c[nH]c4c3cccc4)N 271570a_100012356747_200011217714 [0,0,0,1,0,1|1,0,1]=4 965 B24R4.2594371 Nc1nc(c2c(cccc2n1)c3coc4c3cccc4)N 271570a_100000084643_200011217714 [0,0,0,1,0,1|1,0,1]=4 966 B24R4.2594371 Nc1nc(c2c(cccc2n1)c3csc4c3cccc4)N 271570a_100000038073_200011217714 [0,0,0,1,0,1|1,0,1]=4 967 B24R4.2594373 Nc1nc(c2c(cccc2n1)SC3Cc4c3cccc4)N 62a_200011217714_100009813401 [0,0,0,1,0,1|0,1,0]=3 968 B24R4.201419852 Nc1nc(c2c(cccc2n1)C3=Cc4ccccc4C3)N 271570a_100010239756_200011217714 [0,1,0,1,0,0|1,0,0]=3 969 B24R4.201419852 Nc1nc(c2c(cccc2n1)c3cc4ccccc4[nH]3)N 271570a_100010206980_200011217714 [0,1,0,1,0,0|1,0,1]=4 970 B24R4.201419852 Nc1nc(c2c(cccc2n1)c3cc4ccccc4o3)N 271570a_100011328764_200011217714 [0,1,0,1,0,0|1,0,1]=4 971 B24R4.201419852 Nc1nc(c2c(cccc2n1)c3cc4ccccc4s3)N 271570a_100000034353_200011217714 [0,1,0,1,0,0|1,0,1]=4 972 B24R4.201419852 Nc1nc(c2c(cccc2n1)c3nc4ccccc4s3)N 271570a_200000082171_200011217714 [0,1,0,1,0,0|2,0,0]=4 973 B20R2.4377 Cc1cc(nc(n1)N)C=CCOCc2ccccc2 271570a_200011106559_100000183061 [0,0,1,0,1,0|1,0,1]=4 974 B20R2.4377 Cc1nc(cc(n1)C=CCOCc2ccccc2)N 271570a_200011106559_100012178882 [0,0,1,0,1,0|1,0,1]=4 975 B20R2.4377 Nc1cc(cc(n1)N)C=CCOCc2ccccc2 271570a_200011106559_100009816676 [0,0,1,0,1,0|1,0,1]=4 976 B20R2.4377 Nc1cc(nc(n1)N)C=CCOCc2ccccc2 271570a_200011106559_100011177858 [0,0,1,0,1,0|0,0,1]=3 977 B20R2.4377 Nc1nc(cc(n1)C=CCOCc2ccccc2)O 271570a_200011106559_100000694715 [0,0,1,0,1,0|1,0,1]=4 978 B20R3.17 Cn1ncc2c1cccc2OCc3ccccc3 34a_100009856027_100015291786 [1,0,0,0,1,0|2,0,0]=4 979 B20R3.17 Nc1noc2c1cccc2SCc3ccccc3 62a_100000211182_100010069758 [1,0,0,0,1,0|1,1,0]=4 980 B20R3.17 Nc1noc2c1cccc2SCc3ccccc3 62a_100010069758_100015291786 [1,0,0,0,1,0|1,1,0]=4 981 B20R3.173 Nc1cc2cccc(c2cn1)Sc3ccccc3 62a_100000719477_100010201637 [1,0,0,0,1,0|1,1,0]=4 982 B20R3.173 Nc1cc2cccc(c2cn1)Sc3ccccc3 62a_100010201637_100000041952 [1,0,0,0,1,0|1,1,0]=4 983 B20R3.173 Nc1ccc2c(cccc2n1)Sc3ccccc3 62a_100000723655_100000041952 [1,0,0,0,1,0|1,1,0]=4 984 B20R3.173 Nc1ncc2c(cccc2n1)Nc3ccccc3 27a_100000106764_100010209551 [1,0,0,0,1,0|1,0,0]=3 985 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccccc3 62a_100000719477_100010209551 [1,0,0,0,1,0|0,1,0]=3 986 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccccc3 62a_100010209551_100000041952 [1,0,0,0,1,0|0,1,0]=3 987 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccccn3 62a_100010209551_100011216584 [1,0,0,0,1,0|1,1,0]=4 988 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccccn3 62a_100011216584_100010209551 [1,0,0,0,1,0|1,1,0]=4 989 B20R3.173 Nc1ncc2c(cccc2n1)Sc3cccnc3 62a_100000210063_100010209551 [1,0,0,0,1,0|1,1,0]=4 990 B20R3.173 Nc1ncc2c(cccc2n1)Sc3cccnc3 62a_100010209551_100000210063 [1,0,0,0,1,0|1,1,0]=4 991 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccncc3 62a_100000728582_100010209551 [1,0,0,0,1,0|1,1,0]=4 992 B20R3.173 Nc1ncc2c(cccc2n1)Sc3ccncc3 62a_100010209551_100000728582 [1,0,0,0,1,0|1,1,0]=4 993 B20R3.5958 Nc1ncc2c(cccc2n1)NCc3ccco3 27a_100000185738_100010209551 [1,0,0,0,1,0|2,0,0]=4 994 B20R3.5958 Nc1ncc2c(cccc2n1)NCc3cccs3 27a_100000211653_100010209551 [1,0,0,0,1,0|2,0,0]=4 995 B20R3.5958 Nc1ncc2c(cccc2n1)NCc3ccoc3 27a_100015206860_100010209551 [1,0,0,0,1,0|2,0,0]=4 996 B20R3.5958 Nc1ncc2c(cccc2n1)NCc3ccsc3 27a_100000186416_100010209551 [1,0,0,0,1,0|2,0,0]=4 997 B20R3.5958 Nc1ncc2c(cccc2n1)SCc3ccsc3 62a_100010209551_100011233845 [1,0,0,0,1,0|1,1,0]=4 998 B20R3.5958 Nc1ncc2c(cccc2n1)SCc3ccsc3 62a_100011261437_100010209551 [1,0,0,0,1,0|1,1,0]=4 999 B20R3.14321 Cc1cc2c(cccc2[nH]1)OCc3ccccc3 34a_200000059750_100015291786 [1,0,0,0,1,0|1,0,1]=4 1000 B20R3.14321 Cn1cc2c(cccc2n1)OCc3ccccc3 34a_100000106842_100015291786 [1,0,0,0,1,0|2,0,0]=4 1001 B20R3.14321 Nc1nc2c(cccc2o1)OCc3ccccc3 7a_100009892541_100000211182 [1,0,0,0,1,0|1,0,0]=3 1002 B20R3.14321 Nc1nc2c(cccc2o1)OCc3ccccn3 7a_100009892541_100000721315 [1,0,0,0,1,0|2,0,0]=4 1003 B20R3.14321 Nc1nc2c(cccc2o1)OCc3cccnc3 7a_100009892541_100000741622 [1,0,0,0,1,0|2,0,0]=4 1004 B20R3.14321 Nc1nc2c(cccc2o1)OCc3ccncc3 7a_100009892541_100015193705 [1,0,0,0,1,0|2,0,0]=4 1005 B20R3.14321 Nc1nc2c(cccc2s1)OCc3ccccc3 7a_100000065795_100000211182 [1,0,0,0,1,0|1,0,0]=3 1006 B20R3.14321 Nc1nc2c(cccc2s1)OCc3ccccn3 7a_100000065795_100000721315 [1,0,0,0,1,0|2,0,0]=4 1007 B20R3.14321 Nc1nc2c(cccc2s1)OCc3cccnc3 7a_100000065795_100000741622 [1,0,0,0,1,0|2,0,0]=4 1008 B20R3.14321 Nc1nc2c(cccc2s1)OCc3ccncc3 7a_100000065795_100015193705 [1,0,0,0,1,0|2,0,0]=4 1009 B20R3.14321 Nc1nc2c(cccc2s1)SCc3ccccc3 62a_100000724365_100015291786 [1,0,0,0,1,0|1,1,0]=4 1010 B20R3.14321 Nc1nc2c(cccn2n1)SCc3ccccc3 62a_100012344205_100015291786 [1,0,0,0,1,0|1,1,0]=4 1011 B20R3.14321 Nc1nc2cccc(c2s1)SCc3ccccc3 62a_100010235960_100015291786 [1,0,0,0,1,0|1,1,0]=4 1012 B20R3.14321 Nc1nc2cccc(n2n1)SCc3ccccc3 62a_100010243777_100015291786 [1,0,0,0,1,0|1,1,0]=4 1013 B20R3.247867 Nc1nccc2c1c(ccc2)Sc3ccccc3 62a_100010291105_100000041952 [1,0,0,0,1,0|1,1,0]=4 1014 B20R3.247867 Nc1ncnc2c1c(ccc2)Nc3ccccc3 27a_100000106764_100010171649 [1,0,0,0,1,0|1,0,0]=3 1015 B20R3.247867 Nc1ncnc2c1c(ccc2)Sc3ccccc3 62a_100010171649_100000041952 [1,0,0,0,1,0|0,1,0]=3 1016 B20R3.247867 Nc1ncnc2c1c(ccc2)Sc3ccccn3 62a_100010171649_100011216584 [1,0,0,0,1,0|1,1,0]=4 1017 B20R3.247867 Nc1ncnc2c1c(ccc2)Sc3cccnc3 62a_100010171649_100000210063 [1,0,0,0,1,0|1,1,0]=4 1018 B20R3.247867 Nc1ncnc2c1c(ccc2)Sc3ccncc3 62a_100010171649_100000728582 [1,0,0,0,1,0|1,1,0]=4 1019 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCc3ccccc3 62a_100000211182_100010179808 [1,0,0,0,1,0|1,1,0]=4 1020 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCc3ccccc3 62a_100010179808_100015291786 [1,0,0,0,1,0|1,1,0]=4 1021 B20R3.3278134 Nc1noc2c1c(ccc2)SCc3ccccc3 62a_100000211182_100012361266 [1,0,0,0,1,0|1,1,0]=4 1022 B20R3.3278134 Nc1noc2c1c(ccc2)SCc3ccccc3 62a_100012361266_100015291786 [1,0,0,0,1,0|1,1,0]=4 1023 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCc3ccco3 27a_100000185738_100010171649 [1,0,0,0,1,0|2,0,0]=4 1024 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCc3cccs3 27a_100000211653_100010171649 [1,0,0,0,1,0|2,0,0]=4 1025 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCc3ccoc3 27a_100015206860_100010171649 [1,0,0,0,1,0|2,0,0]=4 1026 B20R3.4389304 Nc1ncnc2c1c(ccc2)NCc3ccsc3 27a_100000186416_100010171649 [1,0,0,0,1,0|2,0,0]=4 1027 B20R3.4389304 Nc1ncnc2c1c(ccc2)SCc3ccsc3 62a_100010171649_100011233845 [1,0,0,0,1,0|1,1,0]=4 1028 B20R3.8685 Cc1nc(c2c(cccc2n1)c3ccccc3)O 271570a_100011218836_200010988834 [0,0,0,0,2,0|2,0,0]=4 1029 B20R3.8685 Nc1nc(c2c(cccc2n1)c3ccccc3)N 271570a_100011218836_200011217714 [0,0,0,0,2,0|0,0,0]=2 1030 B20R3.8685 Nc1nc(c2c(cccc2n1)c3ccccn3)N 271570a_100011264011_200011217714 [0,0,0,0,2,0|1,0,0]=3 1031 B20R3.8685 Nc1nc(c2c(cccc2n1)c3cccnc3)N 271570a_100000757648_200011217714 [0,0,0,0,2,0|1,0,0]=3 1032 B20R3.8685 Nc1nc(c2c(cccc2n1)c3ccncc3)N 271570a_100000752145_200011217714 [0,0,0,0,2,0|1,0,0]=3 1033 B20R3.8685 Nc1nc(c2c(cccc2n1)c3cnccn3)N 271570a_100011962566_200011217714 [0,0,0,0,2,0|2,0,0]=4 1034 B20R3.8685 Nc1nc(c2c(cccc2n1)c3cncnc3)N 271570a_100000707473_200011217714 [0,0,0,0,2,0|2,0,0]=4 1035 B20R3.3465641 Nc1nc(c2c(cccc2n1)Sc3ccco3)N 62a_200011217714_100009814098 [0,0,0,0,2,0|1,1,0]=4 1036 B20R3.3465641 Nc1nc(c2c(cccc2n1)Sc3cccs3)N 62a_200011217714_100011215356 [0,0,0,0,2,0|1,1,0]=4 1037 B20R3.3465641 Nc1nc(c2c(cccc2n1)Sc3ccoc3)N 62a_200011217714_100011215275 [0,0,0,0,2,0|1,1,0]=4 1038 B20R3.3465641 Nc1nc(c2c(cccc2n1)Sc3ccsc3)N 62a_200011217714_100000738268 [0,0,0,0,2,0|1,1,0]=4 1039 B22R3.12505 Nc1cc2cccc(c2cn1)C=CCc3ccccc3 271570a_200016263579_100010201637 [1,0,0,0,0,1|2,0,0]=4 1040 B22R3.12505 Nc1cc2cccc(c2cn1)SCCc3ccccc3 62a_100000765856_100010201637 [1,0,0,0,0,1|1,1,0]=4 1041 B22R3.12505 Nc1cc2cccc(c2cn1)SCCc3ccccc3 62a_100010201637_100011218657 [1,0,0,0,0,1|1,1,0]=4 1042 B22R3.12505 Nc1cc2cccc(c2cn1)SCSc3ccccc3 62a_100010201637_100011218342 [1,0,0,0,0,1|1,1,0]=4 1043 B22R3.12505 Nc1cc2cccc(c2cn1)SCSc3ccccc3 62a_100011218342_100010201637 [1,0,0,0,0,1|1,1,0]=4 1044 B22R3.12505 Nc1ccc2c(cccc2c1)OCCc3ccccc3 34a_100000035793_100000765856 [1,0,0,0,0,1|2,0,0]=4 1045 B22R3.12505 Nc1ccc2c(cccc2n1)C=CCc3ccccc3 271570a_200016263579_100000723655 [1,0,0,0,0,1|2,0,0]=4 1046 B22R3.12505 Nc1ccc2c(cccc2n1)SCCc3ccccc3 62a_100000723655_100011218657 [1,0,0,0,0,1|1,1,0]=4 1047 B22R3.12505 Nc1ccc2c(cccc2n1)SCSc3ccccc3 62a_100000723655_100011218342 [1,0,0,0,0,1|1,1,0]=4 1048 B22R3.12505 Nc1ncc2c(cccc2n1)C=CCc3ccccc3 271570a_200016263579_100010209551 [1,0,0,0,0,1|1,0,0]=3 1049 B22R3.12505 Nc1ncc2c(cccc2n1)NCCc3ccccc3 27a_100000106460_100010209551 [1,0,0,0,0,1|1,0,0]=3 1050 B22R3.12505 Nc1ncc2c(cccc2n1)NCCc3ccccn3 27a_100000211156_100010209551 [1,0,0,0,0,1|2,0,0]=4 1051 B22R3.12505 Nc1ncc2c(cccc2n1)NCCc3cccnc3 27a_100000736294_100010209551 [1,0,0,0,0,1|2,0,0]=4 1052 B22R3.12505 Nc1ncc2c(cccc2n1)NCCc3ccncc3 27a_100000742849_100010209551 [1,0,0,0,0,1|2,0,0]=4 1053 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccccc3 62a_100000765856_100010209551 [1,0,0,0,0,1|0,1,0]=3 1054 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccccc3 62a_100010209551_100011218657 [1,0,0,0,0,1|0,1,0]=3 1055 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccccn3 62a_100010209551_100015183660 [1,0,0,0,0,1|1,1,0]=4 1056 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccccn3 62a_100015183660_100010209551 [1,0,0,0,0,1|1,1,0]=4 1057 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3cccnc3 62a_100010209551_200011713674 [1,0,0,0,0,1|1,1,0]=4 1058 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3cccnc3 62a_200011713674_100010209551 [1,0,0,0,0,1|1,1,0]=4 1059 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccncc3 62a_100000723409_100010209551 [1,0,0,0,0,1|1,1,0]=4 1060 B22R3.12505 Nc1ncc2c(cccc2n1)SCCc3ccncc3 62a_100010209551_100000723409 [1,0,0,0,0,1|1,1,0]=4 1061 B22R3.12505 Nc1ncc2c(cccc2n1)SCSc3ccccc3 62a_100010209551_100011218342 [1,0,0,0,0,1|0,1,0]=3 1062 B22R3.12505 Nc1ncc2c(cccc2n1)SCSc3ccccc3 62a_100011218342_100010209551 [1,0,0,0,0,1|0,1,0]=3 1063 B22R3.10325631 Nc1nccc2c1c(ccc2)C=CCc3ccccc3 271570a_200016263579_100010291105 [1,0,0,0,0,1|2,0,0]=4 1064 B22R3.10325631 Nc1nccc2c1c(ccc2)SCCc3ccccc3 62a_100010291105_100011218657 [1,0,0,0,0,1|1,1,0]=4 1065 B22R3.10325631 Nc1nccc2c1c(ccc2)SCSc3ccccc3 62a_100010291105_100011218342 [1,0,0,0,0,1|1,1,0]=4 1066 B22R3.10325631 Nc1ncnc2c1c(ccc2)C=CCc3ccccc3 271570a_200016263579_100010171649 [1,0,0,0,0,1|1,0,0]=3 1067 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCc3ccccc3 27a_100000106460_100010171649 [1,0,0,0,0,1|1,0,0]=3 1068 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCc3ccccn3 27a_100000211156_100010171649 [1,0,0,0,0,1|2,0,0]=4 1069 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCc3cccnc3 27a_100000736294_100010171649 [1,0,0,0,0,1|2,0,0]=4 1070 B22R3.10325631 Nc1ncnc2c1c(ccc2)NCCc3ccncc3 27a_100000742849_100010171649 [1,0,0,0,0,1|2,0,0]=4 1071 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCc3ccccc3 62a_100010171649_100011218657 [1,0,0,0,0,1|0,1,0]=3 1072 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCc3ccccn3 62a_100010171649_100015183660 [1,0,0,0,0,1|1,1,0]=4 1073 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCc3cccnc3 62a_100010171649_200011713674 [1,0,0,0,0,1|1,1,0]=4 1074 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCCc3ccncc3 62a_100010171649_100000723409 [1,0,0,0,0,1|1,1,0]=4 1075 B22R3.10325631 Nc1ncnc2c1c(ccc2)SCSc3ccccc3 62a_100010171649_100011218342 [1,0,0,0,0,1|0,1,0]=3 1076 B22R3.717197 Cc1nc(c2nc(ccc2n1)NCc3ccccc3)N 27a_100015324214_103550258228 [0,0,0,0,1,1|2,0,0]=4 1077 B22R3.717197 Cc1nc(c2nc(ccc2n1)SCc3ccccc3)N 62a_103550258228_100015291786 [0,0,0,0,1,1|1,1,0]=4 1078 B24R3.2709136 Nc1nc(c2c(cccc2n1)SC/C=C/c3ccccc3)N 62a_200011217714_100016265936 [0,0,0,0,0,2|0,1,0]=3 1079 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCC#Cc3ccccc3)N 62a_200011217714_100011352542 [0,0,0,0,0,2|0,1,0]=3 1080 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCCc3ccccc3)N 62a_200011217714_100000211621 [0,0,0,0,0,2|0,1,0]=3 1081 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCOc3ccccc3)N 62a_200011217714_100000184471 [0,0,0,0,0,2|0,1,0]=3 1082 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCCSc3ccccc3)N 62a_200011217714_100000246102 [0,0,0,0,0,2|0,1,0]=3 1083 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCOCc3ccccc3)N 62a_200011217714_100000763385 [0,0,0,0,0,2|0,0,0]=2 1084 B24R3.2709136 Nc1nc(c2c(cccc2n1)SCSCc3ccccc3)N 62a_200011217714_200011217039 [0,0,0,0,0,2|0,1,0]=3