0 B19R2.6643628 CC(CC#N)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009813641 [0,0,0,0,0,0|2,1,0]=3 1 B19R2.6643628 CC(CCO)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009893172 [0,0,0,0,0,0|2,1,0]=3 2 B19R2.6643628 CCCC(C)Nc1cccc2c1c(nc(n2)C)O 27a_100000741246_200010988834 [0,0,0,0,0,0|4,0,0]=4 3 B19R2.6643628 CCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000766640 [0,0,0,0,0,0|1,1,0]=2 4 B19R2.6643628 COCC(C)Sc1cccc2c1c(=O)oc(n2)C 62a_100000765312_200010128068 [0,0,0,0,0,0|3,1,0]=4 5 B19R2.6643628 COCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000765312 [0,0,0,0,0,0|0,1,0]=1 6 B19R2.6643628 COC[C@@H](C)Nc1cccc2c1c(=O)oc(n2)C 27a_100000764878_200010128068 [0,0,0,0,0,0|4,0,0]=4 7 B19R2.6643628 COC[C@@H](C)Nc1cccc2c1c(nc(n2)C)O 27a_100000764878_200010988834 [0,0,0,0,0,0|3,0,0]=3 8 B18R2.80942 CC(CC#N)Sc1cccc2c1cnc(n2)N 62a_100009813641_100010209551 [1,0,0,0,0,0|2,1,0]=4 9 B18R2.80942 CC(CC#N)Sc1cccc2c1cnc(n2)N 62a_100010209551_100009813641 [1,0,0,0,0,0|2,1,0]=4 10 B18R2.80942 CC(CCO)Sc1cccc2c1cnc(n2)N 62a_100009893172_100010209551 [1,0,0,0,0,0|2,1,0]=4 11 B18R2.80942 CC(CCO)Sc1cccc2c1cnc(n2)N 62a_100010209551_100009893172 [1,0,0,0,0,0|2,1,0]=4 12 B18R2.80942 CCCC(C)Nc1cccc2c1cnc(n2)N 27a_100000741246_100010209551 [1,0,0,0,0,0|2,0,0]=3 13 B18R2.80942 CCCC(C)Oc1cccc2c1ccc(c2)N 34a_100000035793_100000766640 [1,0,0,0,0,0|3,0,0]=4 14 B18R2.80942 CCCC(C)Sc1cccc2c1ccc(n2)N 62a_100000723655_100000766640 [1,0,0,0,0,0|2,1,0]=4 15 B18R2.80942 CCCC(C)Sc1cccc2c1cnc(c2)N 62a_100000766640_100010201637 [1,0,0,0,0,0|2,1,0]=4 16 B18R2.80942 CCCC(C)Sc1cccc2c1cnc(c2)N 62a_100010201637_100000766640 [1,0,0,0,0,0|2,1,0]=4 17 B18R2.80942 CCCC(C)Sc1cccc2c1cnc(n2)N 62a_100000766640_100010209551 [1,0,0,0,0,0|1,1,0]=3 18 B18R2.80942 CCCC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100000766640 [1,0,0,0,0,0|1,1,0]=3 19 B18R2.80942 COCC(C)Nc1cccc2c1ccc(n2)C 34a_106741707140_100000765312 [1,0,0,0,0,0|3,0,0]=4 20 B18R2.80942 COCC(C)Oc1cccc2c1ccc(c2)Br 34a_100010202202_100000765312 [1,0,0,0,0,0|3,0,0]=4 21 B18R2.80942 COCC(C)Oc1cccc2c1ccc(c2)Br 7a_100010202202_100000765312 [1,0,0,0,0,0|3,0,0]=4 22 B18R2.80942 COCC(C)Oc1cccc2c1ccc(c2)F 34a_100009846233_100000765312 [1,0,0,0,0,0|3,0,0]=4 23 B18R2.80942 COCC(C)Oc1cccc2c1ccc(c2)F 7a_100009846233_100000765312 [1,0,0,0,0,0|3,0,0]=4 24 B18R2.80942 COCC(C)Oc1cccc2c1ccc(c2)N 34a_100000035793_100000765312 [1,0,0,0,0,0|2,0,0]=3 25 B18R2.80942 COCC(C)Sc1cccc2c1ccc(n2)C 62a_100000765312_100010173736 [1,0,0,0,0,0|2,1,0]=4 26 B18R2.80942 COCC(C)Sc1cccc2c1ccc(n2)C 62a_100010173736_100000765312 [1,0,0,0,0,0|2,1,0]=4 27 B18R2.80942 COCC(C)Sc1cccc2c1ccc(n2)N 62a_100000723655_100000765312 [1,0,0,0,0,0|1,1,0]=3 28 B18R2.80942 COCC(C)Sc1cccc2c1cnc(c2)N 62a_100000765312_100010201637 [1,0,0,0,0,0|1,1,0]=3 29 B18R2.80942 COCC(C)Sc1cccc2c1cnc(c2)N 62a_100010201637_100000765312 [1,0,0,0,0,0|1,1,0]=3 30 B18R2.80942 COCC(C)Sc1cccc2c1cnc(c2)O 62a_100000765312_100009817091 [1,0,0,0,0,0|2,1,0]=4 31 B18R2.80942 COCC(C)Sc1cccc2c1cnc(n2)N 62a_100000765312_100010209551 [1,0,0,0,0,0|0,1,0]=2 32 B18R2.80942 COCC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100000765312 [1,0,0,0,0,0|0,1,0]=2 33 B18R2.80942 COC[C@@H](C)Nc1cccc2c1ccc(n2)C 27a_100000764878_100010173736 [1,0,0,0,0,0|3,0,0]=4 34 B18R2.80942 COC[C@@H](C)Nc1cccc2c1cnc(n2)N 27a_100000764878_100010209551 [1,0,0,0,0,0|1,0,0]=2 35 B18R2.80942 C[C@@H](CC#N)Nc1cccc2c1cnc(n2)N 27a_100016994482_100010209551 [1,0,0,0,0,0|3,0,0]=4 36 B18R2.80942 C[C@H](CCO)Nc1cccc2c1cnc(n2)N 27a_100000706166_100010209551 [1,0,0,0,0,0|3,0,0]=4 37 B18R2.622760 CC(CC#N)Sc1cccc2c1c(ncn2)N 62a_100010171649_100009813641 [1,0,0,0,0,0|2,1,0]=4 38 B18R2.622760 CC(CCO)Sc1cccc2c1c(ncn2)N 62a_100010171649_100009893172 [1,0,0,0,0,0|2,1,0]=4 39 B18R2.622760 CCCC(C)Nc1cccc2c1c(ncn2)N 27a_100000741246_100010171649 [1,0,0,0,0,0|2,0,0]=3 40 B18R2.622760 CCCC(C)Sc1cccc2c1c(ncc2)N 62a_100010291105_100000766640 [1,0,0,0,0,0|2,1,0]=4 41 B18R2.622760 CCCC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100000766640 [1,0,0,0,0,0|1,1,0]=3 42 B18R2.622760 COCC(C)Nc1cccc2c1c(ccn2)Cl 34a_100010263589_100000765312 [1,0,0,0,0,0|3,0,0]=4 43 B18R2.622760 COCC(C)Oc1cccc2c1c(=O)[nH]cc2 34a_200010358299_100000765312 [1,0,0,0,0,0|2,0,1]=4 44 B18R2.622760 COCC(C)Oc1cccc2c1c(=O)[nH]cc2 7a_200010358299_100000765312 [1,0,0,0,0,0|2,0,1]=4 45 B18R2.622760 COCC(C)Oc1cccc2c1c(=O)cco2 34a_100000040341_100000765312 [1,0,0,0,0,0|3,0,0]=4 46 B18R2.622760 COCC(C)Oc1cccc2c1c(=O)cco2 7a_100000040341_100000765312 [1,0,0,0,0,0|3,0,0]=4 47 B18R2.622760 COCC(C)Oc1cccc2c1c(ccc2)Br 34a_100010089961_100000765312 [1,0,0,0,0,0|3,0,0]=4 48 B18R2.622760 COCC(C)Oc1cccc2c1c(ccc2)Br 7a_100010089961_100000765312 [1,0,0,0,0,0|3,0,0]=4 49 B18R2.622760 COCC(C)Sc1cccc2c1c(=O)[nH]cn2 62a_100000765312_100000696754 [1,0,0,0,0,0|1,1,1]=4 50 B18R2.622760 COCC(C)Sc1cccc2c1c(ccc2)N 62a_100010002837_100000765312 [1,0,0,0,0,0|2,1,0]=4 51 B18R2.622760 COCC(C)Sc1cccc2c1c(ncc2)N 62a_100010291105_100000765312 [1,0,0,0,0,0|1,1,0]=3 52 B18R2.622760 COCC(C)Sc1cccc2c1c(ncc2)O 62a_100000765312_100010162479 [1,0,0,0,0,0|2,1,0]=4 53 B18R2.622760 COCC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100000765312 [1,0,0,0,0,0|0,1,0]=2 54 B18R2.622760 COC[C@@H](C)Nc1cccc2c1c(=O)[nH]cn2 27a_100000764878_100000696754 [1,0,0,0,0,0|2,0,1]=4 55 B18R2.622760 COC[C@@H](C)Nc1cccc2c1c(ncn2)N 27a_100000764878_100010171649 [1,0,0,0,0,0|1,0,0]=2 56 B18R2.622760 C[C@@H](CC#N)Nc1cccc2c1c(ncn2)N 27a_100016994482_100010171649 [1,0,0,0,0,0|3,0,0]=4 57 B18R2.622760 C[C@H](CCO)Nc1cccc2c1c(ncn2)N 27a_100000706166_100010171649 [1,0,0,0,0,0|3,0,0]=4 58 B18R2.1758445 CC(C#N)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000703298 [1,0,0,0,0,0|1,1,1]=4 59 B18R2.1758445 CCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000758301 [1,0,0,0,0,0|0,1,0]=2 60 B18R2.1758445 COC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009879195 [1,0,0,0,0,0|0,1,0]=2 61 B18R2.1758445 C[C@H](CO)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100016084084 [1,0,0,0,0,0|0,1,0]=2 62 B18R2.1758445 Cc1nc(c2c(cccc2n1)N[C@H](C)CO)O 27a_100000737577_200010988834 [1,0,0,0,0,0|3,0,0]=4 63 B18R2.2430656 C#CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000688953 [1,0,0,0,0,0|1,1,1]=4 64 B18R2.2430656 C/C=C/CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100102629194 [1,0,0,0,0,0|1,1,1]=4 65 B18R2.2430656 C=CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000754431 [1,0,0,0,0,0|1,1,1]=4 66 B18R2.2430656 CC#CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000748600 [1,0,0,0,0,0|1,1,1]=4 67 B18R2.2430656 CC=CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000070051 [1,0,0,0,0,0|1,1,1]=4 68 B18R2.2430656 CCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100016258520_200011217714 [1,0,0,0,0,0|2,0,1]=4 69 B18R2.2430656 CCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210210 [1,0,0,0,0,0|1,1,0]=3 70 B18R2.2430656 CCOCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000739092 [1,0,0,0,0,0|2,1,0]=4 71 B18R2.2430656 COCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100016286323_200011217714 [1,0,0,0,0,0|1,0,1]=3 72 B18R2.2430656 COCCNc1cccc2c1c(nc(n2)C)O 27a_100000209980_200010988834 [1,0,0,0,0,0|3,0,0]=4 73 B18R2.2430656 COCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000233755 [1,0,0,0,0,0|0,1,0]=2 74 B18R2.2430656 CSCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000751147 [1,0,0,0,0,0|0,2,0]=3 75 B18R2.2430656 N#CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215226 [1,0,0,0,0,0|2,1,0]=4 76 B18R2.2430656 Nc1nc(c2c(cccc2n1)SCCCF)N 62a_200011217714_100011934791 [1,0,0,0,0,0|2,1,0]=4 77 B18R2.2430656 Nc1nc(c2c(cccc2n1)SCCCO)N 62a_200011217714_100011215043 [1,0,0,0,0,0|2,1,0]=4 78 B20R2.2951198 CC(=O)OC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009818208 [0,1,0,0,0,0|2,1,0]=4 79 B20R2.2951198 CC(C)CC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000731052 [0,1,0,0,0,0|1,1,0]=3 80 B20R2.2951198 CC(CN(C)C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100020606517 [0,1,0,0,0,0|1,1,0]=3 81 B20R2.3767788 CCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011215066 [0,1,0,0,0,0|1,1,0]=3 82 B20R2.4140070 CCC(=O)C(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000742827 [0,1,0,0,0,0|1,1,1]=4 83 B20R2.4140070 CNC(=O)C(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000731044 [0,1,0,0,0,0|1,1,1]=4 84 B20R2.4140070 COC(=O)C(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000211248 [0,1,0,0,0,0|0,1,1]=3 85 B20R2.7704683 CCC(COC)Nc1cccc2c1c(nc(n2)C)O 27a_100000757820_200010988834 [0,1,0,0,0,0|3,0,0]=4 86 B20R2.7704683 CCCC(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011219200 [0,1,0,0,0,0|1,1,0]=3 87 B20R2.7704683 COCC(CO)Nc1cccc2c1c(nc(n2)C)O 27a_100000724102_200010988834 [0,1,0,0,0,0|3,0,0]=4 88 B20R2.17996063 COCC(C)(C)Nc1cccc2c1c(nc(n2)C)O 27a_100000752728_200010988834 [0,1,0,0,0,0|3,0,0]=4 89 B20R3.3465641 Cc1nc(c2c(cccc2n1)N[C@@H]3CCOC3)O 27a_200015188469_200010988834 [0,0,0,1,0,0|3,0,0]=4 90 B20R3.3465641 Cc1nc(c2c(cccc2n1)N[C@H]3CCOC3)O 27a_100015188467_200010988834 [0,0,0,1,0,0|3,0,0]=4 91 B20R3.3465641 Nc1nc(c2c(cccc2n1)C=C3CCCC3)N 271570a_100010378317_200011217714 [0,0,0,1,0,0|2,0,1]=4 92 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCCC3)N 62a_200011217714_100000179811 [0,0,0,1,0,0|1,1,0]=3 93 B20R3.3465641 Nc1nc(c2c(cccc2n1)SC3CCOC3)N 62a_200011217714_100000690089 [0,0,0,1,0,0|0,1,0]=2 94 B18R2.622814 COCC(C)Oc1cccc2c1C(=O)OC2=O 7a_100000042631_100000765312 [0,0,0,0,1,0|3,0,0]=4 95 B18R2.622814 COCC(C)Sc1cccc2c1c(nn2C)N 62a_100010211377_100000765312 [0,0,0,0,1,0|2,1,0]=4 96 B18R2.2201609 COCC(C)Sc1n[nH]c2c1c(nc(n2)N)N 62a_100010293082_100000765312 [0,0,0,0,1,0|2,1,0]=4 97 B20R2.3914685 CCCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011216630 [0,0,0,0,0,1|1,1,0]=3 98 B20R2.3914685 COCC(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215053 [0,0,0,0,0,1|1,1,0]=3 99 B17R2.9365 CCCCNc1cccc2c1cnc(n2)N 27a_100000102301_100010209551 [2,0,0,0,0,0|2,0,0]=4 100 B17R2.9365 CCCCSc1cccc2c1cnc(n2)N 62a_100000210211_100010209551 [2,0,0,0,0,0|1,1,0]=4 101 B17R2.9365 CCCCSc1cccc2c1cnc(n2)N 62a_100010209551_100000210210 [2,0,0,0,0,0|1,1,0]=4 102 B17R2.9365 COCC=Cc1cccc2c1cnc(n2)N 271570a_100016286323_100010209551 [2,0,0,0,0,0|1,0,1]=4 103 B17R2.9365 COCCNc1cccc2c1cnc(n2)N 27a_100000209980_100010209551 [2,0,0,0,0,0|1,0,0]=3 104 B17R2.9365 COCCOc1cccc2c1ccc(c2)N 34a_100000035793_100011201679 [2,0,0,0,0,0|2,0,0]=4 105 B17R2.9365 COCCSc1cccc2c1ccc(n2)N 62a_100000723655_100000233755 [2,0,0,0,0,0|1,1,0]=4 106 B17R2.9365 COCCSc1cccc2c1cnc(c2)N 62a_100000233755_100010201637 [2,0,0,0,0,0|1,1,0]=4 107 B17R2.9365 COCCSc1cccc2c1cnc(c2)N 62a_100010201637_100000233755 [2,0,0,0,0,0|1,1,0]=4 108 B17R2.9365 COCCSc1cccc2c1cnc(n2)N 62a_100000233755_100010209551 [2,0,0,0,0,0|0,1,0]=3 109 B17R2.9365 COCCSc1cccc2c1cnc(n2)N 62a_100010209551_100000233755 [2,0,0,0,0,0|0,1,0]=3 110 B17R2.9365 CSCCNc1cccc2c1cnc(n2)N 27a_100020590264_100010209551 [2,0,0,0,0,0|1,1,0]=4 111 B17R2.9365 CSCCSc1cccc2c1cnc(n2)N 62a_100000212216_100010209551 [2,0,0,0,0,0|0,2,0]=4 112 B17R2.9365 CSCCSc1cccc2c1cnc(n2)N 62a_100010209551_100000751147 [2,0,0,0,0,0|0,2,0]=4 113 B17R2.57512 CC(CO)Oc1cccc2c1ccc(c2)N 34a_100000035793_100012180447 [2,0,0,0,0,0|2,0,0]=4 114 B17R2.57512 CC(CO)Sc1cccc2c1cnc(c2)N 62a_100012180447_100010201637 [2,0,0,0,0,0|1,1,0]=4 115 B17R2.57512 CC(CO)Sc1cccc2c1cnc(n2)N 62a_100012180447_100010209551 [2,0,0,0,0,0|0,1,0]=3 116 B17R2.57512 CCC(C)Oc1cccc2c1ccc(c2)N 34a_100000035793_100011215416 [2,0,0,0,0,0|2,0,0]=4 117 B17R2.57512 CCC(C)Sc1cccc2c1ccc(n2)N 62a_100000723655_100000758301 [2,0,0,0,0,0|1,1,0]=4 118 B17R2.57512 CCC(C)Sc1cccc2c1cnc(c2)N 62a_100000758301_100010201637 [2,0,0,0,0,0|1,1,0]=4 119 B17R2.57512 CCC(C)Sc1cccc2c1cnc(c2)N 62a_100010201637_100000758301 [2,0,0,0,0,0|1,1,0]=4 120 B17R2.57512 CCC(C)Sc1cccc2c1cnc(n2)N 62a_100000758301_100010209551 [2,0,0,0,0,0|0,1,0]=3 121 B17R2.57512 CCC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100000758301 [2,0,0,0,0,0|0,1,0]=3 122 B17R2.57512 COC(C)Sc1cccc2c1ccc(n2)N 62a_100000723655_100009879195 [2,0,0,0,0,0|1,1,0]=4 123 B17R2.57512 COC(C)Sc1cccc2c1cnc(c2)N 62a_100009879195_100010201637 [2,0,0,0,0,0|1,1,0]=4 124 B17R2.57512 COC(C)Sc1cccc2c1cnc(c2)N 62a_100010201637_100009879195 [2,0,0,0,0,0|1,1,0]=4 125 B17R2.57512 COC(C)Sc1cccc2c1cnc(n2)N 62a_100009879195_100010209551 [2,0,0,0,0,0|0,1,0]=3 126 B17R2.57512 COC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100009879195 [2,0,0,0,0,0|0,1,0]=3 127 B17R2.57512 C[C@H](CF)Nc1cccc2c1cnc(n2)N 27a_100102880703_100010209551 [2,0,0,0,0,0|2,0,0]=4 128 B17R2.57512 C[C@H](CO)Nc1cccc2c1cnc(n2)N 27a_100000737577_100010209551 [2,0,0,0,0,0|1,0,0]=3 129 B17R2.57512 C[C@H](CO)Sc1cccc2c1ccc(n2)N 62a_100000723655_100016084084 [2,0,0,0,0,0|1,1,0]=4 130 B17R2.57512 C[C@H](CO)Sc1cccc2c1cnc(c2)N 62a_100010201637_100016084084 [2,0,0,0,0,0|1,1,0]=4 131 B17R2.57512 C[C@H](CO)Sc1cccc2c1cnc(c2)N 62a_100016084084_100010201637 [2,0,0,0,0,0|1,1,0]=4 132 B17R2.57512 C[C@H](CO)Sc1cccc2c1cnc(n2)N 62a_100010209551_100016084084 [2,0,0,0,0,0|0,1,0]=3 133 B17R2.57512 C[C@H](CO)Sc1cccc2c1cnc(n2)N 62a_100016084084_100010209551 [2,0,0,0,0,0|0,1,0]=3 134 B17R2.322318 CCCC(C)Nc1cccc2c1cncn2 27a_100000741246_100009814520 [2,0,0,0,0,0|2,0,0]=4 135 B17R2.322318 CCCC(C)Oc1cccc2c1cccn2 34a_100011197808_100000766640 [2,0,0,0,0,0|2,0,0]=4 136 B17R2.322318 CCCC(C)Oc1cccc2c1cncc2 34a_103624766955_100000766640 [2,0,0,0,0,0|2,0,0]=4 137 B17R2.322318 CCCC(C)Sc1cccc2c1cncn2 62a_100000766640_100009814520 [2,0,0,0,0,0|1,1,0]=4 138 B17R2.322318 CCCC(C)Sc1cccc2c1cncn2 62a_100009814520_100000766640 [2,0,0,0,0,0|1,1,0]=4 139 B17R2.322318 COCC(C)Nc1cccc2c1cccn2 34a_100000183906_100000765312 [2,0,0,0,0,0|2,0,0]=4 140 B17R2.322318 COCC(C)Oc1cccc2c1cccc2 34a_100000210388_100000765312 [2,0,0,0,0,0|2,0,0]=4 141 B17R2.322318 COCC(C)Oc1cccc2c1cccc2 7a_100000210388_100000765312 [2,0,0,0,0,0|2,0,0]=4 142 B17R2.322318 COCC(C)Oc1cccc2c1cccn2 34a_100011197808_100000765312 [2,0,0,0,0,0|1,0,0]=3 143 B17R2.322318 COCC(C)Oc1cccc2c1cncc2 34a_103624766955_100000765312 [2,0,0,0,0,0|1,0,0]=3 144 B17R2.322318 COCC(C)Oc1cccc2c1nccn2 34a_100000077048_100000765312 [2,0,0,0,0,0|2,0,0]=4 145 B17R2.322318 COCC(C)Sc1cccc2c1cccn2 62a_100000765312_100011290932 [2,0,0,0,0,0|1,1,0]=4 146 B17R2.322318 COCC(C)Sc1cccc2c1cccn2 62a_100011290932_100000765312 [2,0,0,0,0,0|1,1,0]=4 147 B17R2.322318 COCC(C)Sc1cccc2c1cncc2 62a_100000685578_100000765312 [2,0,0,0,0,0|1,1,0]=4 148 B17R2.322318 COCC(C)Sc1cccc2c1cncc2 62a_100000765312_100000685578 [2,0,0,0,0,0|1,1,0]=4 149 B17R2.322318 COCC(C)Sc1cccc2c1cncn2 62a_100000765312_100009814520 [2,0,0,0,0,0|0,1,0]=3 150 B17R2.322318 COCC(C)Sc1cccc2c1cncn2 62a_100009814520_100000765312 [2,0,0,0,0,0|0,1,0]=3 151 B17R2.322318 COC[C@@H](C)Nc1cccc2c1cccn2 27a_100000764878_100011290932 [2,0,0,0,0,0|2,0,0]=4 152 B17R2.322318 COC[C@@H](C)Nc1cccc2c1cncn2 27a_100000764878_100009814520 [2,0,0,0,0,0|1,0,0]=3 153 B17R2.86706 CCCCNc1cccc2c1c(ncn2)N 27a_100000102301_100010171649 [2,0,0,0,0,0|2,0,0]=4 154 B17R2.86706 CCCCSc1cccc2c1c(ncn2)N 62a_100010171649_100000210210 [2,0,0,0,0,0|1,1,0]=4 155 B17R2.86706 COCC=Cc1cccc2c1c(ncn2)N 271570a_100016286323_100010171649 [2,0,0,0,0,0|1,0,1]=4 156 B17R2.86706 COCCNc1cccc2c1c(ncn2)N 27a_100000209980_100010171649 [2,0,0,0,0,0|1,0,0]=3 157 B17R2.86706 COCCSc1cccc2c1c(ncc2)N 62a_100010291105_100000233755 [2,0,0,0,0,0|1,1,0]=4 158 B17R2.86706 COCCSc1cccc2c1c(ncn2)N 62a_100010171649_100000233755 [2,0,0,0,0,0|0,1,0]=3 159 B17R2.86706 CSCCNc1cccc2c1c(ncn2)N 27a_100020590264_100010171649 [2,0,0,0,0,0|1,1,0]=4 160 B17R2.86706 CSCCSc1cccc2c1c(ncn2)N 62a_100010171649_100000751147 [2,0,0,0,0,0|0,2,0]=4 161 B17R2.351768 CCC(C)Sc1cccc2c1c(ncc2)N 62a_100010291105_100000758301 [2,0,0,0,0,0|1,1,0]=4 162 B17R2.351768 CCC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100000758301 [2,0,0,0,0,0|0,1,0]=3 163 B17R2.351768 COC(C)Sc1cccc2c1c(ncc2)N 62a_100010291105_100009879195 [2,0,0,0,0,0|1,1,0]=4 164 B17R2.351768 COC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100009879195 [2,0,0,0,0,0|0,1,0]=3 165 B17R2.351768 C[C@H](CF)Nc1cccc2c1c(ncn2)N 27a_100102880703_100010171649 [2,0,0,0,0,0|2,0,0]=4 166 B17R2.351768 C[C@H](CO)Nc1cccc2c1c(ncn2)N 27a_100000737577_100010171649 [2,0,0,0,0,0|1,0,0]=3 167 B17R2.351768 C[C@H](CO)Sc1cccc2c1c(ncc2)N 62a_100010291105_100016084084 [2,0,0,0,0,0|1,1,0]=4 168 B17R2.351768 C[C@H](CO)Sc1cccc2c1c(ncn2)N 62a_100010171649_100016084084 [2,0,0,0,0,0|0,1,0]=3 169 B17R2.26341 CC(=Cc1cccc2c1c(nc(n2)N)N)C 271570a_100102525489_200011217714 [2,0,0,0,0,0|1,0,1]=4 170 B17R2.26341 CC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210206 [2,0,0,0,0,0|0,1,0]=3 171 B17R2.342048 CCCCc1cccc2c1c(nc(n2)N)N 271570a_100020621405_200011217714 [2,0,0,0,0,0|1,0,0]=3 172 B17R2.342048 CCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210303 [2,0,0,0,0,0|0,1,0]=3 173 B17R2.342048 COCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000766300 [2,0,0,0,0,0|0,1,0]=3 174 B17R2.342048 CSCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011218213 [2,0,0,0,0,0|0,2,0]=4 175 B17R2.342048 Nc1nc(c2c(cccc2n1)SCCF)N 62a_200011217714_100011217306 [2,0,0,0,0,0|1,1,0]=4 176 B17R2.342048 Nc1nc(c2c(cccc2n1)SCCO)N 62a_200011217714_100000211926 [2,0,0,0,0,0|0,1,0]=3 177 B19R2.50441 CC(C)CC(C)Nc1cccc2c1cnc(n2)N 27a_100000692259_100010209551 [1,1,0,0,0,0|2,0,0]=4 178 B19R2.50441 CC(C)CC(C)Sc1cccc2c1cnc(n2)N 62a_100000731052_100010209551 [1,1,0,0,0,0|1,1,0]=4 179 B19R2.50441 CC(C)CC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100000731052 [1,1,0,0,0,0|1,1,0]=4 180 B19R2.50441 CC(CN(C)C)Nc1cccc2c1cnc(n2)N 27a_100016992788_100010209551 [1,1,0,0,0,0|2,0,0]=4 181 B19R2.50441 CC(CN(C)C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100020606517 [1,1,0,0,0,0|1,1,0]=4 182 B19R2.50441 CC(CN(C)C)Sc1cccc2c1cnc(n2)N 62a_100020606517_100010209551 [1,1,0,0,0,0|1,1,0]=4 183 B19R2.53427 CCC(COC)Nc1cccc2c1cnc(n2)N 27a_100000757820_100010209551 [1,1,0,0,0,0|1,0,0]=3 184 B19R2.53427 CCCC(CC)Nc1cccc2c1cnc(n2)N 27a_100000747048_100010209551 [1,1,0,0,0,0|2,0,0]=4 185 B19R2.53427 CCCC(CC)Sc1cccc2c1cnc(n2)N 62a_100010209551_100011219200 [1,1,0,0,0,0|1,1,0]=4 186 B19R2.53427 CCCC(CC)Sc1cccc2c1cnc(n2)N 62a_100011219200_100010209551 [1,1,0,0,0,0|1,1,0]=4 187 B19R2.53427 CCC[C@@H](CO)Nc1cccc2c1cnc(n2)N 27a_100000732646_100010209551 [1,1,0,0,0,0|2,0,0]=4 188 B19R2.53427 COCC(CO)Nc1cccc2c1cnc(n2)N 27a_100000724102_100010209551 [1,1,0,0,0,0|1,0,0]=3 189 B19R2.199557 CCCCC(C)Nc1cccc2c1cnc(n2)N 27a_100000126638_100010209551 [1,1,0,0,0,0|2,0,0]=4 190 B19R2.199557 CCCCC(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_200011215066 [1,1,0,0,0,0|1,1,0]=4 191 B19R2.199557 CCCCC(C)Sc1cccc2c1cnc(n2)N 62a_200011215066_100010209551 [1,1,0,0,0,0|1,1,0]=4 192 B19R2.205193 COC(=O)C(C)Sc1cccc2c1cnc(n2)N 62a_100000211248_100010209551 [1,1,0,0,0,0|0,1,1]=4 193 B19R2.205193 COC(=O)C(C)Sc1cccc2c1cnc(n2)N 62a_100010209551_100000211248 [1,1,0,0,0,0|0,1,1]=4 194 B19R2.229791 COCC(C)(C)Nc1cccc2c1cnc(n2)N 27a_100000752728_100010209551 [1,1,0,0,0,0|1,0,0]=3 195 B19R2.229791 CSCC(C)(C)Nc1cccc2c1cnc(n2)N 27a_100000759623_100010209551 [1,1,0,0,0,0|1,1,0]=4 196 B19R2.1149999 COCC(C)Oc1cccc2c1ccc(n2)C#N 7a_100009841945_100000765312 [1,1,0,0,0,0|1,0,1]=4 197 B19R2.527517 CCC(COC)Nc1cccc2c1c(ncn2)N 27a_100000757820_100010171649 [1,1,0,0,0,0|1,0,0]=3 198 B19R2.527517 CCCC(CC)Nc1cccc2c1c(ncn2)N 27a_100000747048_100010171649 [1,1,0,0,0,0|2,0,0]=4 199 B19R2.527517 CCCC(CC)Sc1cccc2c1c(ncn2)N 62a_100010171649_100011219200 [1,1,0,0,0,0|1,1,0]=4 200 B19R2.527517 CCC[C@@H](CO)Nc1cccc2c1c(ncn2)N 27a_100000732646_100010171649 [1,1,0,0,0,0|2,0,0]=4 201 B19R2.527517 COCC(CO)Nc1cccc2c1c(ncn2)N 27a_100000724102_100010171649 [1,1,0,0,0,0|1,0,0]=3 202 B19R2.1679575 CCCCC(C)Nc1cccc2c1c(ncn2)N 27a_100000126638_100010171649 [1,1,0,0,0,0|2,0,0]=4 203 B19R2.1679575 CCCCC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_200011215066 [1,1,0,0,0,0|1,1,0]=4 204 B19R2.1725139 COC(=O)C(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100000211248 [1,1,0,0,0,0|0,1,1]=4 205 B19R2.3341826 COCC(C)(C)Nc1cccc2c1c(ncn2)N 27a_100000752728_100010171649 [1,1,0,0,0,0|1,0,0]=3 206 B19R2.3341826 CSCC(C)(C)Nc1cccc2c1c(ncn2)N 27a_100000759623_100010171649 [1,1,0,0,0,0|1,1,0]=4 207 B19R2.5644324 CC(C)CC(C)Nc1cccc2c1c(ncn2)N 27a_100000692259_100010171649 [1,1,0,0,0,0|2,0,0]=4 208 B19R2.5644324 CC(C)CC(C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100000731052 [1,1,0,0,0,0|1,1,0]=4 209 B19R2.5644324 CC(CN(C)C)Nc1cccc2c1c(ncn2)N 27a_100016992788_100010171649 [1,1,0,0,0,0|2,0,0]=4 210 B19R2.5644324 CC(CN(C)C)Sc1cccc2c1c(ncn2)N 62a_100010171649_100020606517 [1,1,0,0,0,0|1,1,0]=4 211 B19R2.635789 CC(=O)C(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009814033 [1,1,0,0,0,0|0,1,1]=4 212 B19R2.5510117 CCC(C)(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000032637 [1,1,0,0,0,0|0,1,0]=3 213 B19R2.5510117 Nc1nc(c2c(cccc2n1)SC(F)(F)CO)N 62a_200011217714_100011217949 [1,1,0,0,0,0|1,1,0]=4 214 B19R2.5916881 CCC(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210505 [1,1,0,0,0,0|0,1,0]=3 215 B19R2.635856 C=C(C)CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000730704 [1,1,0,0,0,0|1,1,0]=4 216 B19R2.635856 CC(=O)CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000053229 [1,1,0,0,0,0|1,1,0]=4 217 B19R2.635856 CC(C)CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210312 [1,1,0,0,0,0|1,1,0]=4 218 B19R2.635856 CC(O)CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100012276601 [1,1,0,0,0,0|1,1,0]=4 219 B19R2.635856 CN(C)CCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000755713 [1,1,0,0,0,0|1,1,0]=4 220 B19R2.4427914 C=COCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000039644 [1,1,0,0,0,0|0,1,1]=4 221 B19R2.4427914 CCCCC=Cc1cccc2c1c(nc(n2)N)N 271570a_100016275911_200011217714 [1,1,0,0,0,0|2,0,0]=4 222 B19R2.4427914 CCCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000210326 [1,1,0,0,0,0|1,1,0]=4 223 B19R2.4427914 CCOCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011215890 [1,1,0,0,0,0|0,1,0]=3 224 B19R2.4427914 CCSCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000757381 [1,1,0,0,0,0|0,2,0]=4 225 B19R2.4427914 COCCCSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000709357 [1,1,0,0,0,0|0,1,0]=3 226 B19R2.4427914 Nc1nc(c2c(cccc2n1)SCCCCF)N 62a_200011217714_100000729493 [1,1,0,0,0,0|1,1,0]=4 227 B19R2.4427914 Nc1nc(c2c(cccc2n1)SCCCCO)N 62a_200011217714_100000210776 [1,1,0,0,0,0|1,1,0]=4 228 B19R2.7037027 CCC(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000748023 [1,1,0,0,0,0|1,1,0]=4 229 B19R2.7037027 CCC(O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011218378 [1,1,0,0,0,0|1,1,0]=4 230 B19R2.7037027 CC[C@H](C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009816398 [1,1,0,0,0,0|1,1,0]=4 231 B19R2.7037027 COC(=O)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000747449 [1,1,0,0,0,0|0,1,1]=4 232 B19R2.635858 CC(C)C[C@H](N)c1cccc2c1c(nc(n2)N)N 271570a_100015190218_200011217714 [0,1,0,0,1,0|2,0,0]=4 233 B21R2.3650939 CC(CSc1cccc2c1c(nc(n2)N)N)CN(C)C 62a_200011217714_100015348159 [0,1,0,0,0,1|1,1,0]=4 234 B21R2.5926880 COC(=O)C(C)CSc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000698445 [0,1,0,0,0,1|0,1,1]=4 235 B21R2.22269297 COC(=O)CC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100009817358 [0,2,0,0,0,0|0,1,0]=3 236 B21R2.3650948 CC(C)CCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011261404 [0,2,0,0,0,0|1,1,0]=4 237 B21R2.6678061 CCCCCC(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011218191 [0,2,0,0,0,0|1,1,0]=4 238 B21R2.33109451 CCCCC(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011216223 [0,2,0,0,0,0|1,1,0]=4 239 B21R2.39737130 COC(OC)C(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100011222894 [0,2,0,0,0,0|0,1,0]=3 240 B21R2.58383614 COC(F)(F)C(F)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000036909 [0,2,0,0,0,0|1,1,0]=4 241 B21R2.74374715 CCC(Sc1cccc2c1c(nc(n2)N)N)C(=O)OC 62a_200011217714_100000235869 [0,2,0,0,0,0|0,1,1]=4 242 B21R2.74374715 COC(=O)C(CO)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100012276630 [0,2,0,0,0,0|0,1,1]=4 243 B21R2.74374715 COC(=O)C(OC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000101307 [0,2,0,0,0,0|0,1,1]=4 244 B21R2.87595374 COC(=O)C(C)(C)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_100000689032 [0,2,0,0,0,0|0,1,1]=4 245 B21R2.87595374 COC(=O)C(C)(F)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200009867631 [0,2,0,0,0,0|0,1,1]=4 246 B21R2.67734117 CCCC(CCC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200011218217 [0,2,0,0,0,0|1,1,0]=4 247 B21R2.68076601 CCCC(C)(CC)Sc1cccc2c1c(nc(n2)N)N 62a_200011217714_200000040151 [0,2,0,0,0,0|1,1,0]=4 248 B19R2.10857 COCC(C)Oc1ccccc1c2csc(n2)N 7a_100000029192_100000765312 [0,0,1,1,0,0|2,0,0]=4 249 B19R2.1704780 CCCC(C)Sc1ccc2c(nc(nc2c1)N)N 62a_100012355061_100000766640 [0,0,1,1,0,0|1,1,0]=4 250 B19R2.1704780 COCC(C)Sc1ccc2c(nc(nc2c1)N)N 62a_100012355061_100000765312 [0,0,1,1,0,0|0,1,0]=3 251 B19R3.4206 Nc1cc2cccc(c2cn1)SC3CCOC3 62a_100010201637_100000690089 [1,0,0,1,0,0|1,1,0]=4 252 B19R3.4206 Nc1ccc2c(cccc2c1)OC3CCOC3 34a_100000035793_100000690089 [1,0,0,1,0,0|2,0,0]=4 253 B19R3.4206 Nc1ccc2c(cccc2n1)SC3CCOC3 62a_100000723655_100000690089 [1,0,0,1,0,0|1,1,0]=4 254 B19R3.4206 Nc1ncc2c(cccc2n1)NC3CCCC3 27a_100000211070_100010209551 [1,0,0,1,0,0|2,0,0]=4 255 B19R3.4206 Nc1ncc2c(cccc2n1)N[C@@H]3CCOC3 27a_200015188469_100010209551 [1,0,0,1,0,0|1,0,0]=3 256 B19R3.4206 Nc1ncc2c(cccc2n1)N[C@H]3CCOC3 27a_100015188467_100010209551 [1,0,0,1,0,0|1,0,0]=3 257 B19R3.4206 Nc1ncc2c(cccc2n1)SC3CCCC3 62a_100010209551_100000179811 [1,0,0,1,0,0|1,1,0]=4 258 B19R3.4206 Nc1ncc2c(cccc2n1)SC3CCCC3 62a_100011217020_100010209551 [1,0,0,1,0,0|1,1,0]=4 259 B19R3.4206 Nc1ncc2c(cccc2n1)SC3CCOC3 62a_100010209551_100000690089 [1,0,0,1,0,0|0,1,0]=3 260 B19R3.4275 C[C@@H]1CCCN1c2cccc3c2cnc(n3)N 27a_100015189458_100010209551 [1,0,0,1,0,0|2,0,0]=4 261 B19R3.4275 C[C@H]1CCCN1c2cccc3c2cnc(n3)N 27a_100020605311_100010209551 [1,0,0,1,0,0|2,0,0]=4 262 B19R3.59497 CC(Nc1cccc2c1cnc(n2)N)C3CC3 27a_100000700016_100010209551 [1,0,0,1,0,0|2,0,0]=4 263 B19R3.59507 CC1(CCC1)Nc2cccc3c2cnc(n3)N 27a_100000692455_100010209551 [1,0,0,1,0,0|2,0,0]=4 264 B19R3.61581 C[C@@H]1CCCN1c2cccc3c2c(ncn3)N 27a_100015189458_100010171649 [1,0,0,1,0,0|2,0,0]=4 265 B19R3.61581 C[C@H]1CCCN1c2cccc3c2c(ncn3)N 27a_100020605311_100010171649 [1,0,0,1,0,0|2,0,0]=4 266 B19R3.2990775 Nc1nccc2c1c(ccc2)SC3CCOC3 62a_100010291105_100000690089 [1,0,0,1,0,0|1,1,0]=4 267 B19R3.2990775 Nc1ncnc2c1c(ccc2)NC3CCCC3 27a_100000211070_100010171649 [1,0,0,1,0,0|2,0,0]=4 268 B19R3.2990775 Nc1ncnc2c1c(ccc2)N[C@@H]3CCOC3 27a_200015188469_100010171649 [1,0,0,1,0,0|1,0,0]=3 269 B19R3.2990775 Nc1ncnc2c1c(ccc2)N[C@H]3CCOC3 27a_100015188467_100010171649 [1,0,0,1,0,0|1,0,0]=3 270 B19R3.2990775 Nc1ncnc2c1c(ccc2)SC3CCCC3 62a_100010171649_100000179811 [1,0,0,1,0,0|1,1,0]=4 271 B19R3.2990775 Nc1ncnc2c1c(ccc2)SC3CCOC3 62a_100010171649_100000690089 [1,0,0,1,0,0|0,1,0]=3 272 B19R3.9626327 CC(Nc1cccc2c1c(ncn2)N)C3CC3 27a_100000700016_100010171649 [1,0,0,1,0,0|2,0,0]=4 273 B19R3.9628778 CC1(CCC1)Nc2cccc3c2c(ncn3)N 27a_100000692455_100010171649 [1,0,0,1,0,0|2,0,0]=4 274 B19R3.2534852 Nc1nc(c2c(cccc2n1)SC3CCC3)N 62a_200011217714_100000749161 [1,0,0,1,0,0|0,1,0]=3 275 B19R3.2534852 Nc1nc(c2c(cccc2n1)SC3COC3)N 62a_200011217714_100009818527 [1,0,0,1,0,0|0,1,0]=3 276 B19R3.96388 Nc1nc(c2c(cccc2n1)C3=CCOC3)N 271570a_100009872500_200011217714 [1,0,0,1,0,0|1,0,1]=4 277 B19R3.96388 Nc1nc(c2c(cccc2n1)C3=COCC3)N 271570a_100000118173_200011217714 [1,0,0,1,0,0|1,0,1]=4 278 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CC3)N 62a_200011217714_100000742324 [1,0,0,1,0,0|1,1,0]=4 279 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CO3)N 62a_200011217714_102125554688 [1,0,0,1,0,0|0,1,0]=3 280 B19R3.2534853 Nc1nc(c2c(cccc2n1)SCC3CS3)N 62a_200011217714_100000031435 [1,0,0,1,0,0|0,2,0]=4 281 B19R3.2534853 Nc1nc(c2c(cccc2n1)SC[C@@H]3CO3)N 62a_200011217714_100000745022 [1,0,0,1,0,0|0,1,0]=3 282 B21R3.4394170 Nc1nc(c2c(cccc2n1)SC3COCC3O)N 62a_200011217714_200000725654 [0,0,0,1,0,1|1,1,0]=4 283 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCCC3)N 62a_200011217714_100000740388 [0,0,0,1,0,1|1,1,0]=4 284 B21R3.4952301 Nc1nc(c2c(cccc2n1)SCC3CCOC3)N 62a_200011217714_100000702531 [0,0,0,1,0,1|0,1,0]=3 285 B21R3.29517666 CC1(CCC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100000726658 [0,0,0,1,0,1|1,1,0]=4 286 B21R3.29517666 CC1(COC1)CSc2cccc3c2c(nc(n3)N)N 62a_200011217714_100009817586 [0,0,0,1,0,1|0,1,0]=3 287 B21R3.3747025 CN1CCC(C1)Sc2cccc3c2c(nc(n3)N)N 62a_200011217714_200012183744 [0,1,0,1,0,0|1,1,0]=4 288 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCCC3)N 62a_200011217714_100000210327 [0,1,0,1,0,0|1,1,0]=4 289 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCCOC3)N 62a_200011217714_100000693364 [0,1,0,1,0,0|0,1,0]=3 290 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCOCC3)N 62a_200011217714_100011324220 [0,1,0,1,0,0|0,1,0]=3 291 B21R3.246729 Nc1nc(c2c(cccc2n1)SC3CCSCC3)N 62a_200011217714_100000069128 [0,1,0,1,0,0|0,2,0]=4 292 B21R3.1307591 Nc1nc(c2c(cccc2n1)SC3CC(C3)CO)N 62a_200011217714_100009874164 [0,1,0,1,0,0|1,1,0]=4 293 B17R2.49538 COCC(C)Oc1cccc2c1cnn2C 34a_100009856027_100000765312 [1,0,0,0,1,0|2,0,0]=4 294 B17R2.49538 COCC(C)Sc1cccc2c1onc2N 62a_100000765312_100010069758 [1,0,0,0,1,0|1,1,0]=4 295 B17R2.49538 COCC(C)Sc1cccc2c1onc2N 62a_100010069758_100000765312 [1,0,0,0,1,0|1,1,0]=4 296 B17R2.49546 CCCC(C)Oc1cccc2c1nc(o2)N 7a_100009892541_100000766640 [1,0,0,0,1,0|2,0,0]=4 297 B17R2.49546 CCCC(C)Oc1cccc2c1nc(s2)N 7a_100000065795_100000766640 [1,0,0,0,1,0|2,0,0]=4 298 B17R2.49546 COCC(C)Oc1cccc2c1cc([nH]2)C 34a_200000059750_100000765312 [1,0,0,0,1,0|1,0,1]=4 299 B17R2.49546 COCC(C)Oc1cccc2c1cn(n2)C 34a_100000106842_100000765312 [1,0,0,0,1,0|2,0,0]=4 300 B17R2.49546 COCC(C)Oc1cccc2c1nc(o2)N 7a_100009892541_100000765312 [1,0,0,0,1,0|1,0,0]=3 301 B17R2.49546 COCC(C)Oc1cccc2c1nc(s2)N 7a_100000065795_100000765312 [1,0,0,0,1,0|1,0,0]=3 302 B17R2.49546 COCC(C)Sc1cccc2c1nc(s2)N 62a_100000724365_100000765312 [1,0,0,0,1,0|1,1,0]=4 303 B17R2.49546 COCC(C)Sc1cccc2c1sc(n2)N 62a_100010235960_100000765312 [1,0,0,0,1,0|1,1,0]=4 304 B17R2.49546 COCC(C)Sc1cccc2n1nc(n2)N 62a_100010243777_100000765312 [1,0,0,0,1,0|1,1,0]=4 305 B17R2.49546 COCC(C)Sc1cccn2c1nc(n2)N 62a_100012344205_100000765312 [1,0,0,0,1,0|1,1,0]=4 306 B17R2.49958 CCCN(C)c1cccc2c1cnc(n2)N 27a_100000747261_100010209551 [1,0,0,0,1,0|2,0,0]=4 307 B17R2.49547 COCC(C)Sc1cccc2c1c(no2)N 62a_100000765312_100012361266 [1,0,0,0,1,0|1,1,0]=4 308 B17R2.49547 COCC(C)Sc1cccc2c1c(no2)N 62a_100012361266_100000765312 [1,0,0,0,1,0|1,1,0]=4 309 B17R2.325076 CCCN(C)c1cccc2c1c(ncn2)N 27a_100000747261_100010171649 [1,0,0,0,1,0|2,0,0]=4 310 B17R2.443997 COCC(C)Sc1c[nH]c2c1c(ncn2)N 62a_100000765312_100010179808 [1,0,0,0,1,0|1,1,0]=4 311 B17R2.443997 COCC(C)Sc1c[nH]c2c1c(ncn2)N 62a_100010179808_100000765312 [1,0,0,0,1,0|1,1,0]=4 312 B19R2.202032 CCCC(C)CSc1cccc2c1cnc(n2)N 62a_100010209551_100011216630 [1,0,0,0,0,1|1,1,0]=4 313 B19R2.202032 CCCC(C)CSc1cccc2c1cnc(n2)N 62a_100011216630_100010209551 [1,0,0,0,0,1|1,1,0]=4 314 B19R2.202032 COCC(O)CNc1cccc2c1cnc(n2)N 27a_100000756049_100010209551 [1,0,0,0,0,1|2,0,0]=4 315 B19R2.202032 COCC(O)CSc1cccc2c1cnc(n2)N 62a_100010209551_100011215053 [1,0,0,0,0,1|1,1,0]=4 316 B19R2.202032 COCC(O)CSc1cccc2c1cnc(n2)N 62a_100011215053_100010209551 [1,0,0,0,0,1|1,1,0]=4 317 B19R2.1700305 CCCC(C)CSc1cccc2c1c(ncn2)N 62a_100010171649_100011216630 [1,0,0,0,0,1|1,1,0]=4 318 B19R2.1700305 COCC(O)CNc1cccc2c1c(ncn2)N 27a_100000756049_100010171649 [1,0,0,0,0,1|2,0,0]=4 319 B19R2.1700305 COCC(O)CSc1cccc2c1c(ncn2)N 62a_100010171649_100011215053 [1,0,0,0,0,1|1,1,0]=4 320 B19R2.1706276 COCC(C)Sc1ccc2nc(nc(c2n1)N)C 62a_103550258228_100000765312 [0,0,0,0,1,1|1,1,0]=4 321 B19R2.1706276 COC[C@@H](C)Nc1ccc2nc(nc(c2n1)N)C 27a_100000764878_103550258228 [0,0,0,0,1,1|2,0,0]=4