0 B17R2.135589 C=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100011290941_100009813935 [0,0,0,0,0,0|1,0,1]=2 1 B17R2.135589 COc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_200000210301 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.135589 Cc1c(c(=O)n(n1C)c2ccccc2)O[13CH3] 34a_100000032164_200025704644 [0,0,0,0,0,0|1,0,0]=1 3 B16R2.10928 CC1=NN(C(=O)C1N[13CH3])c2ccccc2 2230a_200025744275_200025704644 [1,0,0,0,0,0|0,0,2]=3 4 B16R2.10928 CNC1C(=O)N(N=C1C)c2ccccc2 2230a_200025744275_200000210301 [1,0,0,0,0,0|0,0,2]=3 5 B16R2.10928 CSc1c(nn(c1C)c2ccccc2)C 62a_100011203567_200000210301 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.10928 CSc1c(nn(c1C)c2ccccc2)C 62a_200000210301_100011203567 [1,0,0,0,0,0|2,0,1]=4 7 B16R2.10928 CSc1c(nn(c1N)c2ccccc2)C 62a_100020588532_200000210301 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.10928 Cc1nn(c(c1S[13CH3])C)c2ccccc2 62a_100011203567_200025704644 [1,0,0,0,0,0|2,0,1]=4 9 B16R2.10928 Cc1nn(c(c1S[13CH3])C)c2ccccc2 62a_200025704644_100011203567 [1,0,0,0,0,0|2,0,1]=4 10 B16R2.10928 Cc1nn(c(c1S[13CH3])N)c2ccccc2 62a_100020588532_200025704644 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.97836 Cc1c(c(=O)n(n1C)c2ccccc2)O 271570a_203496583355_100009813935 [1,0,0,0,0,0|1,0,0]=2 12 B18R2.40386 C=C(C)c1c(n(n(c1=O)c2ccccc2)C)C 271570a_100000694244_100009813935 [0,1,0,0,0,0|1,0,0]=2 13 B18R2.47068 C=C=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100015277604_100009813935 [0,1,0,0,0,0|1,0,1]=3 14 B18R2.47068 CC=Cc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100016259895_100009813935 [0,1,0,0,0,0|1,0,0]=2 15 B18R2.47068 CCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100000210202 [0,1,0,0,0,0|1,0,0]=2 16 B18R2.47068 Cc1c(c(=O)n(n1C)c2ccccc2)OCF 34a_100000032164_100015361967 [0,1,0,0,0,0|1,0,0]=2 17 B16R1.5471 CCC(NC)C(=O)N(CC)c1ccccc1 2230a_106832991635_200011763385 [0,0,1,0,0,0|1,0,2]=4 18 B16R1.5471 CCC(NC)C(=O)N(CC)c1ccccc1 34a_100102657272_200011763385 [0,0,1,0,0,0|1,0,2]=4 19 B16R1.5471 CCC(NC)C(=O)N(CC)c1ccccc1 7a_106832991635_200011763385 [0,0,1,0,0,0|1,0,2]=4 20 B15R1.973 CNC(=O)C(=O)N(C)Cc1ccccc1 1626a_100000186898_100011218921 [1,0,1,0,0,0|2,0,0]=4 21 B15R1.973 CNC(=O)C(=O)N(C)Cc1ccccc1 240690a_100000186898_100011218921 [1,0,1,0,0,0|2,0,0]=4 22 B15R1.973 CNC(=O)C(=O)N(C)Cc1ccccc1 527a_100000186898_100011218921 [1,0,1,0,0,0|2,0,0]=4 23 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 11a_106832991635_100012277477 [1,0,1,0,0,0|1,0,1]=4 24 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 240690a_100102657272_100012277477 [1,0,1,0,0,0|1,0,1]=4 25 B15R1.973 CNC(=O)C(C)C(=O)Nc1ccccc1 527a_100102657272_100012277477 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.973 CNC(=O)C(C)N(C)Cc1ccccc1 11a_106832991635_100000757622 [1,0,1,0,0,0|1,0,1]=4 27 B15R1.973 CNC(=O)C(C)N(C)Cc1ccccc1 2230a_100000186898_100000731044 [1,0,1,0,0,0|1,0,1]=4 28 B15R1.973 CNC(=O)C(C)N(C)Cc1ccccc1 240690a_100102657272_100000757622 [1,0,1,0,0,0|1,0,1]=4 29 B15R1.973 CNC(=O)C(C)N(C)Cc1ccccc1 269982a_100000186898_100000209862 [1,0,1,0,0,0|1,0,1]=4 30 B15R1.973 CNC(=O)C(C)N(C)Cc1ccccc1 527a_100102657272_100000757622 [1,0,1,0,0,0|1,0,1]=4 31 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 11a_100000210013_100020587367 [1,0,1,0,0,0|1,0,0]=3 32 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 1626a_100000210013_100020587367 [1,0,1,0,0,0|1,0,0]=3 33 B15R1.1329 C/C=C(\C)/C(=O)N(CC)c1ccccc1 22a_100000210013_100020587367 [1,0,1,0,0,0|1,0,0]=3 34 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 1626a_100000210013_100011218921 [1,0,1,0,0,0|2,0,0]=4 35 B15R1.1329 CCN(C(=O)C(=O)NC)c1ccccc1 22a_100000210013_100011218921 [1,0,1,0,0,0|2,0,0]=4 36 B15R1.1329 CCN(C(=O)C(C)NC)c1ccccc1 2230a_106832991635_100000181168 [1,0,1,0,0,0|1,0,1]=4 37 B15R1.1329 CCN(C(=O)C(C)NC)c1ccccc1 34a_100102657272_100000181168 [1,0,1,0,0,0|1,0,1]=4 38 B15R1.1329 CCN(C(=O)C(C)NC)c1ccccc1 7a_106832991635_100000181168 [1,0,1,0,0,0|1,0,1]=4 39 B15R1.4532 CC(=C(C#N)C(=O)Nc1ccccc1)C 22a_100000106764_100000137542 [1,0,1,0,0,0|2,0,0]=4 40 B15R1.4532 CNC(C(=O)C)C(=O)Nc1ccccc1 2230a_106832991635_100000010230 [1,0,1,0,0,0|1,0,1]=4 41 B15R1.4532 CNC(C(=O)C)C(=O)Nc1ccccc1 7a_106832991635_100000010230 [1,0,1,0,0,0|1,0,1]=4 42 B15R1.4532 CNC(C(=O)Nc1ccccc1)C(C)C 34a_100102657272_100000234939 [1,0,1,0,0,0|0,0,2]=4 43 B15R1.4532 CNC(C(=O)Nc1ccccc1)C(C)C 7a_106832991635_100000234939 [1,0,1,0,0,0|0,0,2]=4 44 B15R1.9922 CC=CC(=O)N(c1ccccc1)C(C)C 11a_100000210572_100000210699 [1,0,1,0,0,0|2,0,0]=4 45 B15R1.9922 CC=CC(=O)N(c1ccccc1)C(C)C 1626a_100000210572_100000210699 [1,0,1,0,0,0|2,0,0]=4 46 B15R1.9922 CNCC(=O)N(c1ccccc1)C(C)C 2230a_106832991635_100000009621 [1,0,1,0,0,0|1,0,1]=4 47 B15R1.9922 CNCC(=O)N(c1ccccc1)C(C)C 34a_100102657272_100000009621 [1,0,1,0,0,0|1,0,1]=4 48 B15R1.9922 CNCC(=O)N(c1ccccc1)C(C)C 7a_106832991635_100000009621 [1,0,1,0,0,0|1,0,1]=4 49 B15R1.9922 CNNC(=O)C(c1ccccc1)N(C)C 22a_100016993582_100000743987 [1,0,1,0,0,0|2,0,0]=4 50 B15R1.9922 CNNC(=O)N(c1ccccc1)C(C)C 512a_100000210572_100016993582 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.2248 CSc1cn(nc1C)c2ccccc2 62a_107254826870_200000210301 [2,0,0,0,0,0|1,0,1]=4 52 B15R2.2248 CSc1cn(nc1C)c2ccccc2 62a_200000210301_107254826870 [2,0,0,0,0,0|1,0,1]=4 53 B15R2.2248 Cc1nn(cc1S[13CH3])c2ccccc2 62a_107254826870_200025704644 [2,0,0,0,0,0|1,0,1]=4 54 B15R2.2248 Cc1nn(cc1S[13CH3])c2ccccc2 62a_200025704644_107254826870 [2,0,0,0,0,0|1,0,1]=4 55 B17R2.26504 CCNC1C(=O)N(N=C1C)c2ccccc2 2230a_200025744275_100000210202 [1,1,0,0,0,0|0,0,2]=4 56 B17R2.26504 CNCc1c(nn(c1C)c2ccccc2)C 207a_100102657272_100000184354 [1,1,0,0,0,0|1,0,1]=4 57 B17R2.26504 CNCc1c(nn(c1C)c2ccccc2)C 270004a_106832991635_100000184354 [1,1,0,0,0,0|1,0,1]=4 58 B17R2.26504 CNCc1c(nn(c1Cl)c2ccccc2)C 207a_100102657272_100000182174 [1,1,0,0,0,0|1,0,1]=4 59 B17R2.26504 CNCc1c(nn(c1Cl)c2ccccc2)C 270004a_106832991635_100000182174 [1,1,0,0,0,0|1,0,1]=4 60 B19R2.139133 C#CCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100000184674 [0,2,0,0,0,0|1,0,0]=3 61 B19R2.139133 C=CCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100015514636 [0,2,0,0,0,0|1,0,0]=3 62 B19R2.139133 CCCCc1c(n(n(c1=O)c2ccccc2)C)C 271570a_100020621405_100009813935 [0,2,0,0,0,0|1,0,0]=3 63 B19R2.139133 CCCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100000210303 [0,2,0,0,0,0|1,0,0]=3 64 B19R2.139133 CSCOc1c(n(n(c1=O)c2ccccc2)C)C 34a_100000032164_100011218213 [0,2,0,0,0,0|1,0,0]=3 65 B19R2.139133 Cc1c(c(=O)n(n1C)c2ccccc2)OCC=O 34a_100000032164_200009817547 [0,2,0,0,0,0|1,0,0]=3 66 B19R2.139133 Cc1c(c(=O)n(n1C)c2ccccc2)OCCF 34a_100000032164_100011217306 [0,2,0,0,0,0|1,0,0]=3 67 B19R2.139133 Cc1c(c(=O)n(n1C)c2ccccc2)OCCO 34a_100000032164_100000211926 [0,2,0,0,0,0|1,0,0]=3 68 B19R2.603573 CC(=Cc1c(n(n(c1=O)c2ccccc2)C)C)C 271570a_100102525489_100009813935 [0,2,0,0,0,0|1,0,0]=3 69 B19R2.603573 Cc1c(c(=O)n(n1C)c2ccccc2)OC(C)C 34a_100000032164_100000210206 [0,2,0,0,0,0|1,0,0]=3 70 B17R2.3417 CC1=C(OCCO1)C(=O)Nc2ccccc2 11a_100000106764_100000068647 [0,0,1,1,0,0|2,0,0]=4 71 B17R2.3417 CC1=C(OCCO1)C(=O)Nc2ccccc2 1626a_100000106764_100000068647 [0,0,1,1,0,0|2,0,0]=4 72 B17R2.3417 CC1=C(OCCO1)C(=O)Nc2ccccc2 22a_100000106764_100000068647 [0,0,1,1,0,0|2,0,0]=4 73 B17R2.3417 CC1=C(OCCO1)C(=O)Nc2ccccc2 527a_100000106764_100000068647 [0,0,1,1,0,0|2,0,0]=4 74 B17R2.3417 CC1=C(SCCO1)C(=O)Nc2ccccc2 11a_100000106764_100000022711 [0,0,1,1,0,0|2,0,0]=4 75 B17R2.3417 CC1=C(SCCO1)C(=O)Nc2ccccc2 1626a_100000106764_100000022711 [0,0,1,1,0,0|2,0,0]=4 76 B17R2.3417 CC1=C(SCCO1)C(=O)Nc2ccccc2 22a_100000106764_100000022711 [0,0,1,1,0,0|2,0,0]=4 77 B17R2.3417 CC1=C(SCCO1)C(=O)Nc2ccccc2 527a_100000106764_100000022711 [0,0,1,1,0,0|2,0,0]=4 78 B19R3.2405017 Cc1c(c(=O)n(n1C)c2ccccc2)C3CC3 271570a_100011220607_100009813935 [0,1,0,1,0,0|1,0,0]=3 79 B17R2.2634 C=Cc1cn(n(c1=O)Cc2ccccc2)C 271570a_100011290941_200161116192 [1,0,0,0,0,1|1,0,1]=4 80 B17R2.2634 CSc1cn(n(c1=O)Cc2ccccc2)C 62a_200161116192_200000210301 [1,0,0,0,0,1|1,0,0]=3 81 B17R2.2634 Cn1cc(c(=O)n1Cc2ccccc2)S[13CH3] 62a_200161116192_200025704644 [1,0,0,0,0,1|1,0,0]=3