0 B13R1.123 CCCCc1cc(=O)[nH]c(=O)n1C 271570a_100020621405_100000093302 [0,0,1,0,0,0|2,0,1]=4 1 B13R1.123 CCCSc1cc(=O)[nH]c(=O)n1C 62a_100000210303_100000093302 [0,0,1,0,0,0|2,0,1]=4 2 B13R1.123 COCSc1cc(=O)[nH]c(=O)n1C 62a_100000766300_100000093302 [0,0,1,0,0,0|2,0,1]=4 3 B13R1.123 CSCSc1cc(=O)[nH]c(=O)n1C 62a_100011218213_100000093302 [0,0,1,0,0,0|2,0,1]=4 4 B13R1.439 CCC(=O)CC(=O)c1cccn1C 1458a_100000210414_200011262399 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.439 CNC(=O)NC(C)c1nncn1C 2708a_100000740431_106832991635 [0,0,1,0,0,0|2,0,1]=4 6 B13R1.439 CNC(=O)NC(C)c1nncn1C 2708a_100102657272_100000740431 [0,0,1,0,0,0|2,0,1]=4 7 B13R1.439 CNC(=O)NC(C)c1nncn1C 273464a_100000740431_100102657272 [0,0,1,0,0,0|2,0,1]=4 8 B13R1.439 CNC(=O)NC(C)c1nncn1C 273464a_100102657272_100000740431 [0,0,1,0,0,0|2,0,1]=4 9 B13R1.439 CNC(=O)NC(C)c1nncn1C 512a_100000740431_100102657272 [0,0,1,0,0,0|2,0,1]=4 10 B13R1.439 CNC(=O)NC(C)c1nncn1C 512a_106832991638_100000740431 [0,0,1,0,0,0|2,0,1]=4 11 B13R1.2812 C=C(C)c1c(n(c(=O)[nH]c1=O)C)N 271570a_100000694244_100000184672 [0,0,1,0,0,0|1,0,1]=3 12 B13R1.3231 CC(=C(C)c1ncn(c1C=O)C)C 271570a_200000049429_200000040309 [0,0,1,0,0,0|3,0,0]=4 13 B12R1.40 C=C=Cc1cc(=O)[nH]c(=O)n1C 271570a_100015277604_100000093302 [1,0,1,0,0,0|1,0,1]=4 14 B12R1.40 CC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016259895_100000093302 [1,0,1,0,0,0|1,0,0]=3 15 B12R1.40 CCNc1cc(=O)[nH]c(=O)n1C 27a_100015525214_100000093302 [1,0,1,0,0,0|0,0,2]=4 16 B12R1.40 CCSc1cc(=O)[nH]c(=O)n1C 62a_100000210202_100000093302 [1,0,1,0,0,0|1,0,1]=4 17 B12R1.144 CC(=O)CC(=O)c1cccn1C 1458a_100000070787_200011262399 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.353 CCC(=O)NCc1cncn1C 11a_100000732891_100000210414 [1,0,1,0,0,0|1,0,1]=4 19 B12R1.353 CCC(=O)NCc1cncn1C 240690a_100000732891_100000210414 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.353 CCC(=O)NCc1cncn1C 527a_100000732891_100000210414 [1,0,1,0,0,0|1,0,1]=4 21 B12R1.353 CNC(=O)CSc1cncn1C 62a_100000183359_100009814087 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.353 CNC(=O)CSc1cncn1C 62a_100009814087_100000183359 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100011219357_106832991635 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.353 CNC(=O)NCc1cccn1C 2708a_100102657272_100011219357 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100011219357_100102657272 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.353 CNC(=O)NCc1cccn1C 273464a_100102657272_100011219357 [1,0,1,0,0,0|1,0,1]=4 27 B12R1.353 CNC(=O)NCc1cccn1C 512a_100011219357_100102657272 [1,0,1,0,0,0|1,0,1]=4 28 B12R1.353 CNC(=O)NCc1cccn1C 512a_106832991638_100011219357 [1,0,1,0,0,0|1,0,1]=4 29 B12R1.353 CNC(=O)NCc1cncn1C 2708a_100000732891_106832991635 [1,0,1,0,0,0|0,0,1]=3 30 B12R1.353 CNC(=O)NCc1cncn1C 2708a_100102657272_100000732891 [1,0,1,0,0,0|0,0,1]=3 31 B12R1.353 CNC(=O)NCc1cncn1C 273464a_100000732891_100102657272 [1,0,1,0,0,0|0,0,1]=3 32 B12R1.353 CNC(=O)NCc1cncn1C 273464a_100102657272_100000732891 [1,0,1,0,0,0|0,0,1]=3 33 B12R1.353 CNC(=O)NCc1cncn1C 512a_100000732891_100102657272 [1,0,1,0,0,0|0,0,1]=3 34 B12R1.353 CNC(=O)NCc1cncn1C 512a_106832991638_100000732891 [1,0,1,0,0,0|0,0,1]=3 35 B12R1.460 CC=NNC(=O)c1cncn1C 4a_100011219485_200000210099 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.232 C=C(C)c1cn(c(=O)[nH]c1=O)C 271570a_100000694244_100000185368 [1,0,1,0,0,0|1,0,0]=3 37 B12R1.232 CN(C)c1cn(c(=O)[nH]c1=O)C 27a_100102631434_100000185368 [1,0,1,0,0,0|0,0,1]=3 38 B12R1.1123 CC=Cc1cn(c(=O)[nH]c1=O)C 271570a_100016259895_100000185368 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.1123 CCNc1cn(c(=O)[nH]c1=O)C 27a_100015525214_100000185368 [1,0,1,0,0,0|1,0,1]=4 40 B12R1.98 C=Cc1c(n(c(=O)[nH]c1=O)C)N 271570a_100011290941_100000184672 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_100000184672_200000210301 [1,0,1,0,0,0|1,0,1]=4 42 B12R1.98 CSc1c(n(c(=O)[nH]c1=O)C)N 62a_200000210301_100000184672 [1,0,1,0,0,0|1,0,1]=4 43 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_100000184672_200025704644 [1,0,1,0,0,0|1,0,1]=4 44 B12R1.98 Cn1c(c(c(=O)[nH]c1=O)S[13CH3])N 62a_200025704644_100000184672 [1,0,1,0,0,0|1,0,1]=4 45 B12R1.234 C=Cc1[nH]c(=O)[nH]c(=O)c1CC 271570a_100011290941_100000080397 [1,0,1,0,0,0|2,0,0]=4 46 B12R2.246 O=c1[nH]c(nc2c1[nH]cn2)O 271570a_203496583355_100009812310 [2,0,0,0,0,0|0,0,2]=4 47 B14R1.47 C/C=C/CSc1cc(=O)[nH]c(=O)n1C 62a_100102629194_100000093302 [0,1,1,0,0,0|2,0,0]=4 48 B14R1.47 CC=CCSc1cc(=O)[nH]c(=O)n1C 62a_100000070051_100000093302 [0,1,1,0,0,0|2,0,0]=4 49 B14R1.47 CCCC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016258520_100000093302 [0,1,1,0,0,0|2,0,0]=4 50 B14R1.47 CCOC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016256518_100000093302 [0,1,1,0,0,0|2,0,0]=4 51 B14R1.47 COCC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016286323_100000093302 [0,1,1,0,0,0|2,0,0]=4 52 B14R1.3150 CC(C)C=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016257149_100000093302 [0,1,1,0,0,0|2,0,0]=4 53 B14R1.3150 CC(O)C=Cc1cc(=O)[nH]c(=O)n1C 271570a_200011019289_100000093302 [0,1,1,0,0,0|2,0,0]=4 54 B14R1.3242 CNCC(=O)NC(=O)c1cccn1C 2230a_106832991635_100000010587 [0,1,1,0,0,0|1,0,0]=3 55 B14R1.3242 CNCC(=O)NC(=O)c1cccn1C 7a_106832991635_100000010587 [0,1,1,0,0,0|1,0,0]=3 56 B14R1.3242 CSCC(=O)NC(=O)c1cccn1C 62a_200000210301_100000010587 [0,1,1,0,0,0|2,0,0]=4 57 B14R1.3242 Cn1cccc1C(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010587 [0,1,1,0,0,0|2,0,0]=4 58 B14R1.6038 CC(=C(C)c1cn(c(=O)[nH]c1=O)C)C 271570a_200000049429_100000185368 [0,1,1,0,0,0|2,0,0]=4 59 B14R1.6038 CC(C)N(C)c1cn(c(=O)[nH]c1=O)C 27a_200000211004_100000185368 [0,1,1,0,0,0|1,0,1]=4 60 B14R1.6236 CCN(CC)c1cn(c(=O)[nH]c1=O)C 27a_100000724800_100000185368 [0,1,1,0,0,0|1,0,1]=4 61 B14R1.7264 C#CCN(C)c1cn(c(=O)[nH]c1=O)C 27a_100000225692_100000185368 [0,1,1,0,0,0|1,0,1]=4 62 B14R1.7264 CCCN(C)c1cn(c(=O)[nH]c1=O)C 27a_100000747261_100000185368 [0,1,1,0,0,0|1,0,1]=4 63 B14R1.7264 CN(CCO)c1cn(c(=O)[nH]c1=O)C 27a_100000210263_100000185368 [0,1,1,0,0,0|1,0,1]=4 64 B14R1.4189 C=C(C)c1c(n(c(=O)[nH]c1=O)CC)N 271570a_100000694244_100000184670 [0,1,1,0,0,0|1,0,1]=4 65 B14R1.4189 CCn1c(c(c(=O)[nH]c1=O)N(C)C)N 27a_100102631434_100000184670 [0,1,1,0,0,0|0,0,2]=4 66 B14R1.27331 C=C(C)c1c(n(c(=O)n(c1=O)C)C)C 271570a_100000694244_200009812460 [0,1,1,0,0,0|2,0,0]=4 67 B14R2.9026 Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)O 271570a_203496583355_100000239299 [1,1,0,0,0,0|0,0,0]=2 68 B14R2.9174 Cn1cc(c(=O)[nH]c1=O)N2CCC2 27a_100000754969_100000185368 [0,0,1,1,0,0|1,0,1]=4 69 B14R1.4461 C=CC(=O)NNC(=O)c1cncn1C 22a_100011219485_100000185746 [0,0,1,0,0,1|1,0,1]=4 70 B14R1.4461 CCC(=O)NN=C(C)c1cncn1C 4a_100000183195_100000719141 [0,0,1,0,0,1|2,0,0]=4 71 B14R1.4461 CCC(=O)NNC(=O)c1cccn1C 22a_100000189942_100000210414 [0,0,1,0,0,1|2,0,0]=4 72 B14R1.4461 CCC(=O)NNC(=O)c1cncn1C 22a_100011219485_100000210414 [0,0,1,0,0,1|1,0,0]=3 73 B14R1.4461 CNC(=O)CNC(=O)c1cnoc1C 240690a_100102657272_100000737603 [0,0,1,0,0,1|2,0,0]=4 74 B14R1.4461 CNC(=O)CNC(C)c1cncn1C 269862a_100000693194_100000719141 [0,0,1,0,0,1|1,0,1]=4 75 B14R1.4461 CNC(=O)NNC(=O)c1cccn1C 273464a_100102657272_100000189942 [0,0,1,0,0,1|1,0,0]=3 76 B14R1.4461 CNC(=O)NNC(=O)c1cccn1C 512a_100000189942_100102657272 [0,0,1,0,0,1|1,0,0]=3 77 B14R1.4461 CNC(=O)NNC(=O)c1cccn1C 512a_106832991638_100000189942 [0,0,1,0,0,1|1,0,0]=3 78 B14R1.4461 CNC(=O)NNC(=O)c1cncn1C 273464a_100102657272_100011219485 [0,0,1,0,0,1|0,0,0]=2 79 B14R1.4461 CNC(=O)NNC(=O)c1cncn1C 512a_100011219485_100102657272 [0,0,1,0,0,1|0,0,0]=2 80 B14R1.4461 CNC(=O)NNC(=O)c1cncn1C 512a_106832991638_100011219485 [0,0,1,0,0,1|0,0,0]=2 81 B14R1.4461 CNC(=O)NNC(=O)c1nccn1C 273464a_100102657272_100000117223 [0,0,1,0,0,1|2,0,0]=4 82 B14R1.4461 CNC(=O)NNC(=O)c1nccn1C 512a_100000117223_100102657272 [0,0,1,0,0,1|2,0,0]=4 83 B14R1.4461 CNC(=O)NNC(=O)c1nccn1C 512a_106832991638_100000117223 [0,0,1,0,0,1|2,0,0]=4 84 B14R1.4461 Cn1cncc1C(=O)NNC(=O)CO 22a_100011219485_100000210174 [0,0,1,0,0,1|2,0,0]=4 85 B14R1.20236 C=CC(C)Sc1cn(c(=O)[nH]c1=O)C 62a_100011215867_100000185368 [0,0,1,0,0,1|2,0,0]=4 86 B14R1.3926 CC(=O)C(C)Sc1ncn(c1C=O)C 62a_100009814033_200000040309 [0,0,1,0,0,1|2,0,0]=4 87 B14R1.3926 CC(=O)C(C)Sc1ncn(c1C=O)C 62a_200000040309_100009814033 [0,0,1,0,0,1|2,0,0]=4 88 B14R1.3926 CC(Sc1ncn(c1C=O)C)C(=O)N 62a_100000702099_200000040309 [0,0,1,0,0,1|1,0,0]=3 89 B14R1.3926 CC(Sc1ncn(c1C=O)C)C(=O)N 62a_200000040309_100000702099 [0,0,1,0,0,1|1,0,0]=3 90 B14R1.3926 Cn1cnc(c1C=O)SC(F)C(=O)N 62a_100009813875_200000040309 [0,0,1,0,0,1|2,0,0]=4 91 B14R1.3926 Cn1cnc(c1C=O)SC(F)C(=O)N 62a_200000040309_100009813875 [0,0,1,0,0,1|2,0,0]=4