| fid,smiles,signature_0,signature_1,signature_2,signature_3,signature_4,signature_5,signature_6,signature_7,signature_8,signature_9 | |
| C001,C#CCCC1(CCC(=O)N2C3CCC2CC(O)(Cc2ccccc2)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C002,C#CCCC1(CCC(=O)Nc2cc(S(N)(=O)=O)ccc2-n2cc(C)cn2)N=N1,0,0,0,0,1,0,0,0,1,0 | |
| C003,C#CCCC1(CCNC(=O)COc2ccc3c(C)c(C)c(=O)oc3c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C004,C#CCCC1(CCC(=O)N2CCc3ccsc3C2c2cscn2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C006,C#CCCC1(CCNC(=O)C2CCc3nnn(C4CCCC4)c3C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C007,C#CCCC1(CCC(=O)NC(C)c2cnc(C(F)(F)F)s2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C008,C#CCCC1(CCNC(=O)c2oc(C(C)(C)C)nc2C(F)F)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C009,C#CCCC1(CCC(=O)NC(C(=O)N2CCCCC2)C(C)C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C010,C#CCCC1(CCNC(=O)Cc2c(C(F)(F)F)coc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C011,C#CCCC1(CCNC(=O)C2(c3ccccc3C#N)CCC2)N=N1,0,0,1,0,0,0,1,0,0,0 | |
| C012,C#CCCC1(CCNC(=O)[C@H]2OCCO[C@H]2C(F)(F)F)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C013,C#CCCC1(CCC(=O)N2CCOC(Cn3cncn3)C2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C014,C#CCCC1(CCC(=O)NCCc2cn3c(n2)CCC3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C015,C#CCCC1(CCC(=O)NC2CC3CCC2N(C)C3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C017,C#CCCC1(CCC(=O)Nc2ccc3c(c2)nc(C)n3C2(CO)CCC2)N=N1,0,0,0,0,0,0,0,0,1,1 | |
| C018,C#CCCC1(CCC(=O)Nc2ccc(F)cc2Cn2ccsc2=O)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C020,C#CCCC1(CCC(=O)N(C)C2CS(=O)(=O)C23CCOCC3)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C021,C#CCCC1(CCNC(=O)c2sccc2NS(C)(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C022,C#CCCC1(CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C023,C#CCCC1(CCC(=O)N2CCCC3(CCCCO3)C2C#N)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C024,C#CCCC1(CCNC(=O)c2c(C)nn(CC(F)F)c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C025,C#CCCC1(CCC(=O)NCc2nnc(C(C)(C)C)s2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C026,C#CCCC1(CCC(=O)NC2c3cccc(F)c3OC2C)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C027,C#CCCC1(CCNC(=O)c2ccnc3nccnc23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C028,C#CCCC1(CCC(=O)N2CCCCC2c2nnc(CC(F)(F)F)o2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C029,C#CCCC1(CCNC(=O)C2CCN(Cc3ccccc3)CC2(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C030,C#CCCC1(CCC(=O)NC[C@H]2C[C@H](c3n[nH]c(=O)n3C)C[C@H]2O)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C031,C#CCCC1(CCC(=O)NC2C3CC4CC2CC(NC(C)=O)(C4)C3)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C032,C#CCCC1(CCC(=O)NCc2ccccc2S(=O)(=O)NC)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C033,C#CCCC1(CCNC(=O)C2CC3(C)CCCN3S2(=O)=O)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C034,C#CCCC1(CCC(=O)N2CCCN(CC(=O)NCC)CC2)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C035,C#CCCC1(CCNC(=O)C(C)Cn2ccc3ccccc32)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C036,C#CCCC1(CCNC(=O)C23CCC(N(C)C)(CC2)CC3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C037,C#CCCC1(CCC(=O)NC2(CS(C)(=O)=O)COC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C038,C#CCCC1(CCC(=O)NC(CC(C)C)c2nc[nH]n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C039,C#CCCC1(CCC(=O)N2CCC3(CC2)CC3c2nnc(-c3cccc(F)c3)o2)N=N1,0,1,0,0,0,0,0,0,1,0 | |
| C040,C#CCCC1(CCC(=O)Nc2cc(C)n(Cn3nc(C(F)(F)F)cc3C)n2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C041,C#CCCC1(CCNC(=O)C2(S(=O)(=O)c3ccc(C)cc3)CCCC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C042,C#CCCC1(CCC(=O)N2CCCC(N3C(=O)CC4(CCCC4)C3=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C044,C#CCCC1(CCC(=O)NC(C)c2cnn(-c3ccc(C#N)cc3)c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C045,C#CCCC1(CCC(=O)NCC2(N3CCN(C(C)C)CC3)CCCC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C046,C#CCCC1(CCNC(=O)C2CS(=O)C3c4ccccc4C(=O)N23)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C048,C#CCCC1(CCC(=O)NCC(c2nnc3ccc(C)nn23)C(C)C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C049,C#CCCC1(CCC(=O)NC(C)c2oc3c(OC)cc(C)cc3c2C)N=N1,0,0,0,0,0,0,0,1,0,1 | |
| C050,C#CCCC1(CCC(=O)NC2(c3ccnc(S(C)(=O)=O)n3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C051,C#CCCC1(CCC(=O)Nc2cccc(C(O)CC(F)(F)F)c2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C052,C#CCCC1(CCNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)N=N1,0,0,0,0,0,0,0,1,1,0 | |
| C053,C#CCCC1(CCC(=O)N2CCc3ccc(Cl)c(Cl)c3C2)N=N1,0,0,0,0,0,0,0,1,0,1 | |
| C054,C#CCCC1(CCC(=O)N2CC(NC(=O)NC(C)C)C(OC)C2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C055,C#CCCC1(CCC(=O)NCC(F)(F)c2[nH]nc3c2CCCC3)N=N1,1,0,0,0,1,0,0,0,0,0 | |
| C056,C#CCCC1(CCNC(=O)c2c[nH]nc2-c2cc3ccccc3o2)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C057,C#CCCC1(CCC(=O)NC[C@@H]2COC[C@H]2n2cc(CO)nn2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C058,C#CCCC1(CCNC(=O)CC2(C(F)(F)F)CCC(=O)NC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C059,C#CCCC1(CCNC(=O)C23CC4(C)CC(C)(CC(O)(C4)C2)C3)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C060,C#CCCC1(CCC(=O)NCC23CC4CC(C2)CC(OC)(C4)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C061,C#CCCC1(CCNC(=O)C(C)S(=O)(=O)C2CCOCC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C062,C#CCCC1(CCC(=O)N2CC3CC2C3c2ocnc2C(N)=O)N=N1,0,0,0,1,0,1,0,0,0,0 | |
| C063,C#CCCC1(CCNC(=O)[C@@H]2C[C@H]2c2nn(C)c3ccccc23)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C064,C#CCCC1(CCNC(=O)Cn2nc(C(F)F)c3c2CCC3)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C065,C#CCCC1(CCNC(=O)CNC(=O)c2cc(F)cc(F)c2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C066,C#CCCC1(CCC(=O)N2[C@H](C(=O)N(C)C)C[C@@H]3OCC[C@@H]32)N=N1,0,0,0,1,0,1,0,0,0,0 | |
| C067,C#CCCC1(CCNC(=O)C2CCC(OC(F)(F)F)CC2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C068,C#CCCC1(CCC(=O)NC2CCN(C3CCCCC3)C2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C069,C#CCCC1(CCC(=O)N2CC3CC2CC3(O)C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C070,C#CCCC1(CCNC(=O)c2sc(C3CC3)nc2C2CC2)N=N1,0,0,0,0,0,0,1,1,0,0 | |
| C071,C#CCCC1(CCNC(=O)Cc2csc(-c3ccoc3)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C072,C#CCCC1(CCNC(=O)Cc2ccc(-n3cccc3)cc2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C073,C#CCCC1(CCC(=O)N2C[C@H]3CN(C)CC[C@@]3(CO)C2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C074,C#CCCC1(CCC(=O)N2CCC(O)(c3c[nH]nn3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C075,C#CCCC1(CCC(=O)NC(C2CC2(C)C)C(F)(F)F)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C076,C#CCCC1(CCC(=O)NCCNC(=O)c2cnccn2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C077,C#CCCC1(CCC(=O)NCc2cc(O)n3nccc3n2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C078,C#CCCC1(CCNC(=O)c2nccc3ccn(C)c23)N=N1,0,1,1,0,0,0,0,0,0,0 | |
| C079,C#CCCC1(CCNC(=O)[C@H]2CC[C@@H](CN(C)C)O2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C080,C#CCCC1(CCC(=O)NCCn2cnnc2CC)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C081,C#CCCC1(CCC(=O)N2CCOCC2c2c(C)nn(CC(F)(F)F)c2C)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C082,C#CCCC1(CCC(=O)Nc2cc(S(=O)(=O)N(CC)CC)cc(C)c2C)N=N1,0,0,0,0,0,0,1,0,1,0 | |
| C083,C#CCCC1(CCNC(=O)C(c2ccccc2)n2sc3ccccc3c2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C084,C#CCCC1(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C085,C#CCCC1(CCNC(=O)CC23CC4CC(C2)CC(n2nnc(C)n2)(C4)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C086,C#CCCC1(CCC(=O)N2CCNC(=O)C2c2ccccc2C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C087,C#CCCC1(CCNC(=O)c2nn(C)c3nc(-c4cn(C)nc4C)ccc23)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C088,C#CCCC1(CCC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2CC)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C089,C#CCCC1(CCC(=O)N2Cc3cccnc3N3C[C@H](OCC)C[C@H]3C2)N=N1,0,0,0,1,0,0,0,0,1,0 | |
| C091,C#CCCC1(CCC(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C092,C#CCCC1(CCC(=O)Nc2ccn(Cc3cccc4ccccc34)n2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C093,C#CCCC1(CCC(=O)NC[C@]2(S(C)(=O)=O)C[C@@H]2C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C094,C#CCCC1(CCC(=O)NCc2ccc(C3(C(F)(F)F)N=N3)cc2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C095,C#CCCC1(CCC(=O)Nc2n[nH]c3c2c(-c2ccccc2)nn3C)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C096,C#CCCC1(CCC(=O)NCC(=O)NCC2CC3CCC(C2)N3C)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C097,C#CCCC1(CCC(=O)NCCNS(=O)(=O)c2ccn(C)c2)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C098,C#CCCC1(CCNC(=O)[C@@H]2[C@@H](c3ccncc3Cl)C2(C)C)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C099,C#CCCC1(CCNC(=O)Cc2nc(-c3cccs3)oc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C100,C#CCCC1(CCNC(=O)c2n[nH]c(C(F)(F)F)c2C(C)C)N=N1,0,0,0,0,1,0,0,0,0,1 | |
| C101,C#CCCC1(CCC(=O)N2CC(CC)N(C(C)=O)CC2CC)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C102,C#CCCC1(CCNC(=O)c2cc3c(cc2Cl)NC(=O)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C103,C#CCCC1(CCNC(=O)C2CCC3NC(=O)C(C)(C)C3C2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C104,C#CCCC1(CCC(=O)N(C)C[C@@H]2OCC[C@@H]2c2ncn[nH]2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C105,C#CCCC1(CCNC(=O)C2(c3cc(C)no3)CCOCC2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C106,C#CCCC1(CCC(=O)N(C)C2(c3cccc(Cl)c3)CC2)N=N1,0,0,0,0,0,0,1,0,1,0 | |
| C107,C#CCCC1(CCNC(=O)CC2CCCC(C(F)(F)F)C2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C108,C#CCCC1(CCC(=O)N2CCC3CCC32c2cccs2)N=N1,0,0,0,0,0,0,1,0,1,0 | |
| C109,C#CCCC1(CCC(=O)NCc2cnn3ccn(C)c(=O)c23)N=N1,0,1,0,0,0,1,0,0,0,0 | |
| C110,C#CCCC1(CCC(=O)NC(C)(C)c2cc(C(F)F)on2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C111,C#CCCC1(CCNC(=O)CCn2c(C)c(C)sc2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C112,C#CCCC1(CCNC(=O)c2ccc(Cc3ccccc3)[nH]2)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C113,C#CCCC1(CCC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C114,C#CCCC1(CCC(=O)N2CC3(CC(O)CNC3=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C115,C#CCCC1(CCC(=O)NC2CCN(CCC=C)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C116,C#CCCC1(CCC(=O)N2Cc3nc(C)nc(O)c3C2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C117,C#CCCC1(CCC(=O)N2CCN3CCCCC2C3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C119,C#CCCC1(CCNC(=O)C2CCCN2S(=O)(=O)c2sc(=O)[nH]c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C120,C#CCCC1(CCNC(=O)C(C)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C121,C#CCCC1(CCC(=O)Nc2nn(Cc3cn(CC)nc3C)cc2Cl)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C122,C#CCCC1(CCNC(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)N=N1,0,0,0,1,0,0,0,0,1,0 | |
| C123,C#CCCC1(CCC(=O)N2C3CCC2CC(N2CCCS2(=O)=O)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C125,C#CCCC1(CCC(=O)N2CCC3(CC2)CC3CN2CCN(C)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C126,C#CCCC1(CCC(=O)N2CC(C)(c3nnc(C4CCOCC4)o3)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C128,C#CCCC1(CCC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C129,C#CCCC1(CCC(=O)N(C)Cc2coc(-c3ccc(C#N)cc3)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C130,C#CCCC1(CCC(=O)NC(c2ccc3c(c2)OCCO3)C2CC2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C131,C#CCCC1(CCC(=O)Nc2ccc(C3CC(=O)NC(=O)N3)cc2)N=N1,0,1,0,0,0,0,0,0,1,0 | |
| C132,C#CCCC1(CCC(=O)N2C[C@@H](COC)[C@H](c3cnn(C)c3)C2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C133,C#CCCC1(CCNC(=O)C2(COC)CCCNS2(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C134,C#CCCC1(CCNC(=O)C(O)c2cc(Cl)cc(Cl)c2)N=N1,1,0,0,0,0,0,1,0,0,1 | |
| C135,C#CCCC1(CCNC(=O)C(O)(c2ccccc2)C(F)(F)F)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C136,C#CCCC1(CCNC(=O)Cc2cc(S(N)(=O)=O)cn2C)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C137,C#CCCC1(CCC(=O)N2CCCC23CCCS(=N)(=O)C3)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C138,C#CCCC1(CCNC(=O)c2cc3n(n2)CCNS3(=O)=O)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C139,C#CCCC1(CCC(=O)NCCc2cnc3ccc(C)cc3c2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C140,C#CCCC1(CCC(=O)N2CC(OCc3ccccc3F)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C141,C#CCCC1(CCC(=O)NCC2(C(F)(F)F)CCCCC2)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C142,C#CCCC1(CCNC(=O)c2ccnc(OC3CCOC3)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C143,C#CCCC1(CCNC(=O)C2C3Cc4c(Cl)cccc4C32)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C144,C#CCCC1(CCNC(=O)c2ncsc2S(N)(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C145,C#CCCC1(CCC(=O)Nc2cc(-n3ccnn3)ccc2F)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C146,C#CCCC1(CCC(=O)N2CCO[C@@H]3CS(=O)(=O)C[C@@H]32)N=N1,0,0,0,1,0,1,0,0,0,0 | |
| C147,C#CCCC1(CCNC(=O)C2CCCc3cc(C#N)ccc32)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C148,C#CCCC1(CCNC(=O)C23CC(CO)(C2)OC32COC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C149,C#CCCC1(CCNC(=O)CCC2CC(C)N(C)C2C)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C150,C#CCCC1(CCNC(=O)C(c2cncn2C)N(C)C)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C151,C#CCCC1(CCC(=O)NCC(O)c2cncs2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C152,C#CCCC1(CCNC(=O)C2CN(CC(F)F)C2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C153,C#CCCC1(CCC(=O)N2Cc3sccc3CC2(C)C)N=N1,0,0,0,0,0,0,1,1,0,1 | |
| C154,C#CCCC1(CCC(=O)NCc2nnc(C3CC3)n2C2CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C156,C#CCCC1(CCC(=O)N[C@@H]2CC=CC[C@H]2C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C157,C#CCCC1(CCC(=O)NCC2CCc3nnc(C(F)F)n3C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C158,C#CCCC1(CCNC(=O)c2cc3c(C(F)(F)F)cc(=O)[nH]c3o2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C159,C#CCCC1(CCC(=O)Nc2ccccc2Oc2cccc(C#N)c2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C160,C#CCCC1(CCC(=O)NC2(C(O)c3ccc(F)cc3)CCCC2)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C161,C#CCCC1(CCNC(=O)CCc2nc3cc(Cl)ccc3s2)N=N1,0,0,0,0,0,0,1,0,0,1 | |
| C162,C#CCCC1(CCC(=O)NC[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C163,C#CCCC1(CCC(=O)N(C)C23CC(C(F)(F)F)(C2)C3)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C164,C#CCCC1(CCC(=O)N2CCCC2CN2CCC(C)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C165,C#CCCC1(CCC(=O)N2Cc3cnn(-c4ccccc4)c3C2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C166,C#CCCC1(CCNC(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C167,C#CCCC1(CCC(=O)NCc2ccc(N(C)C(=O)c3ccncc3)cc2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C168,C#CCCC1(CCC(=O)N[C@@H]2COC[C@@H]2Oc2cn[nH]c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C169,C#CCCC1(CCNC(=O)CCc2c[nH]c3cccc(C)c23)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C170,C#CCCC1(CCC(=O)N2CCc3c(CN4CCCC4)cccc32)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C171,C#CCCC1(CCC(=O)NC2CN(CC)CC2(C)C)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C172,C#CCCC1(CCC(=O)N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C173,C#CCCC1(CCNC(=O)Cn2nnnc2-c2ccsc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C174,C#CCCC1(CCC(=O)Nc2cnc3c(c2)OCC(=O)N3)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C176,C#CCCC1(CCNC(=O)c2cncc(COC)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C177,C#CCCC1(CCNC(=O)c2sc(CC(F)(F)F)nc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C178,C#CCCC1(CCC(=O)N(CC)c2cc(C)ccc2OC)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C179,C#CCCC1(CCC(=O)N2C3CCCC2CC2(C3)NC(=O)NC2=O)N=N1,0,1,0,0,0,0,0,0,1,0 | |
| C180,C#CCCC1(CCC(=O)NCC2CC3(CC3)S(=O)(=O)N2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C182,C#CCCC1(CCC(=O)NC2(CN3CCN(c4ncccn4)CC3)CC2)N=N1,0,0,1,1,0,0,0,0,0,0 | |
| C183,C#CCCC1(CCC(=O)NC(C)c2nnc(-c3ccccc3F)s2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C184,C#CCCC1(CCC(=O)NC(CN(C)C)c2ccco2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C185,C#CCCC1(CCNC(=O)CC2CS(=O)(=O)c3ccccc3O2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C186,C#CCCC1(CCC(=O)N2CCC(N3CCN(c4ccccc4Cl)CC3)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C187,C#CCCC1(CCNC(=O)c2cnc(Oc3ccccc3)cn2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C189,C#CCCC1(CCC(=O)N2Cc3c[nH]nc3C(c3n[nH]c(CC)n3)C2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C190,C#CCCC1(CCNC(=O)C2CCC3CC(=O)NC3C2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C191,C#CCCC1(CCC(=O)N2CC(C#N)C3(C2)C(=O)Nc2ccccc23)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C193,C#CCCC1(CCC(=O)NC(c2ccccn2)c2ccccc2OC)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C194,C#CCCC1(CCNC(=O)C2(Cc3ccc(F)cc3)CCCO2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C195,C#CCCC1(CCC(=O)N2C[C@H]3CCO[C@H]3CC(C)(C)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C196,C#CCCC1(CCC(=O)NC(C(N)=O)c2ccc3ccccc3c2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C197,C#CCCC1(CCC(=O)N2CC3CN(C)C(c4ccccc4)C3C2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C198,C#CCCC1(CCC(=O)Nc2cc(F)ccc2OCc2cnn(C)c2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C199,C#CCCC1(CCNC(=O)c2cc(CNS(C)(=O)=O)oc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C200,C#CCCC1(CCC(=O)NC2CCc3c(nc(C)n3CCO)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C201,C#CCCC1(CCNC(=O)COc2ccc3c(c2)CCCC3)N=N1,0,0,0,0,1,0,1,0,0,0 | |
| C203,C#CCCC1(CCC(=O)NC2CCN(c3ccc4nncn4n3)C2)N=N1,0,1,0,0,0,0,0,0,1,0 | |
| C204,C#CCCC1(CCC(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C205,C#CCCC1(CCNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)N=N1,0,0,1,1,0,0,0,0,0,0 | |
| C206,C#CCCC1(CCC(=O)N2CCOCC2c2nc(-c3cccs3)no2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C207,C#CCCC1(CCC(=O)Nc2ccc3c(c2)CN(c2ccccc2)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C208,C#CCCC1(CCC(=O)N2CC(N3CCCC3)CC2C(C)C)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C210,C#CCCC1(CCNC(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C211,C#CCCC1(CCC(=O)N2CCC3(CN(Cc4ccccc4)CC(C)O3)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C212,C#CCCC1(CCNC(=O)c2cnc3n2C(C)CCC3)N=N1,0,0,1,0,0,0,0,1,0,0 | |
| C213,C#CCCC1(CCC(=O)N2CCOC(c3c(Cl)cccc3OC)C2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C214,C#CCCC1(CCC(=O)NC(C(=O)Nc2cc[nH]n2)c2ccccc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C215,C#CCCC1(CCNC(=O)c2ccc(C3(OC)COC3)cc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C216,C#CCCC1(CCNC(=O)c2ccc(C)c(C)c2-n2cnnn2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C217,C#CCCC1(CCNC(=O)C2(c3cccnc3)CC(F)(F)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C218,C#CCCC1(CCC(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C219,C#CCCC1(CCC(=O)NCC2CCC3C(CC2)C3(F)F)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C220,C#CCCC1(CCC(=O)N2CCC(c3ccc(F)c(F)c3)C2C)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C221,C#CCCC1(CCNC(=O)C2CN3CCCN2CC3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C222,C#CCCC1(CCNC(=O)C2C3CCC2(c2cncs2)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C223,C#CCCC1(CCC(=O)NCC2CCCN(C)C2c2ccc(OC)cc2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C225,C#CCCC1(CCC(=O)NCCOc2c(C)cccc2C)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C226,C#CCCC1(CCC(=O)NC(Cc2ccccn2)C2COc3ccccc3O2)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C227,C#CCCC1(CCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@H]3C2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C228,C#CCCC1(CCC(=O)N2C[C@@H](O)[C@H](Oc3cccc4c3CCC4)C2)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C229,C#CCCC1(CCNC(=O)C2COc3ccc(OC)cc3C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C230,C#CCCC1(CCC(=O)NCCOC2CCS(=O)(=O)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C231,C#CCCC1(CCC(=O)NCC(C)(O)C2CCC(C(C)C)CC2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C232,C#CCCC1(CCNC(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)N=N1,0,1,0,0,1,0,0,0,0,0 | |
| C233,C#CCCC1(CCC(=O)NCc2ccc3c(c2)C(C)C(C)O3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C234,C#CCCC1(CCNC(=O)C2CC(C)Cc3cn[nH]c32)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C235,C#CCCC1(CCC(=O)Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)N=N1,0,0,0,0,1,0,0,0,0,1 | |
| C236,C#CCCC1(CCC(=O)N2CCCC(c3n[nH]cc3NS(C)(=O)=O)C2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C237,C#CCCC1(CCC(=O)N2C[C@@H](C)N(CC)[C@@H](C)C2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C238,C#CCCC1(CCC(=O)NC(Cn2cnc3ccccc32)c2ccc(F)cc2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C239,C#CCCC1(CCC(=O)Nc2cccc3c2oc(=O)n3C)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C240,C#CCCC1(CCC(=O)NCCc2cc(C(F)(F)F)co2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C241,C#CCCC1(CCC(=O)NC23CC(N4CCCCC4=O)(C2)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C242,C#CCCC1(CCC(=O)N2CCn3cc(C(F)(F)F)nc3C2C)N=N1,0,1,0,1,0,0,0,0,0,0 | |
| C243,C#CCCC1(CCC(=O)NC2(c3nc4cc(Cl)ccc4o3)CCC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C244,C#CCCC1(CCNC(=O)C2=NN(c3ccc(F)cc3)C(C(N)=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C245,C#CCCC1(CCC(=O)NC2CCc3cccc4cccc2c34)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C246,C#CCCC1(CCC(=O)NC2C3Cc4cc(Cl)ccc4C32)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C247,C#CCCC1(CCC(=O)NC2CC(=O)N(CC(F)(F)F)C2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C248,C#CCCC1(CCC(=O)NCC2(O)CC(OCC)C2(C)C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C249,C#CCCC1(CCNC(=O)c2cc(F)cc3nc(C)c(C)nc23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C250,C#CCCC1(CCC(=O)NCC2(CO)COCC3COCCN32)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C251,C#CCCC1(CCNC(=O)CC2=NN(c3cccc(Cl)c3)C(=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C252,C#CCCC1(CCC(=O)Nc2nnc3n(Cc4cccc(OC)c4)[nH]c(C)c2-3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C253,C#CCCC1(CCC(=O)NCCS(=O)(=O)N2CCOCC2)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C254,C#CCCC1(CCC(=O)N2CC3(CC(S(C)(=O)=O)C3)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C255,C#CCCC1(CCC(=O)NC(C)c2c(OC)nsc2OC)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C256,C#CCCC1(CCNC(=O)C2C3CCN(CC3)S2(=O)=O)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C257,C#CCCC1(CCC(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C258,C#CCCC1(CCC(=O)Nc2ccc(C(F)F)nc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C259,C#CCCC1(CCC(=O)NCCN2CCS(=O)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C260,C#CCCC1(CCNC(=O)CS(=O)(=O)c2ccccc2Cl)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C261,C#CCCC1(CCC(=O)NCC(c2c(F)cccc2F)N(C)C)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C262,C#CCCC1(CCNC(=O)c2cc(NC(=O)C(C)C)c(F)cc2F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C264,C#CCCC1(CCC(=O)Nc2cccnc2OCc2ccccc2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C265,C#CCCC1(CCC(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C266,C#CCCC1(CCNC(=O)c2ccc3cnc(C4CC4)n3c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C268,C#CCCC1(CCC(=O)N2C[C@@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C269,C#CCCC1(CCNC(=O)c2sc(-c3nnc[nH]3)nc2C(C)C)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C270,C#CCCC1(CCC(=O)N2CCc3nc(CCC(C)(C)C)ncc3C2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C271,C#CCCC1(CCC(=O)Nc2cc(C3CC3)nn2C2CCS(=O)(=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C272,C#CCCC1(CCNC(=O)c2ccccc2NC(=O)CC#N)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C273,C#CCCC1(CCNC(=O)[C@H]2C[C@H]2c2nc(C(F)(F)F)no2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C274,C#CCCC1(CCNC(=O)c2cc(=O)[nH]c3nn(CC)c(C4CC4)c23)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C275,C#CCCC1(CCC(=O)NCCN2c3ccccc3NS2(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C276,C#CCCC1(CCC(=O)NCC2CCCN(CC#N)C2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C277,C#CCCC1(CCC(=O)N2CCC34CCC(CC23)C4(C)C)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C278,C#CCCC1(CCC(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C279,C#CCCC1(CCC(=O)N2CCC3(CC2)CC(O)c2nn(C)cc2O3)N=N1,0,1,0,0,0,1,0,1,0,0 | |
| C280,C#CCCC1(CCC(=O)N(C)Cc2cnc(-n3cccn3)s2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C281,C#CCCC1(CCNC(=O)C2CN3CC4CC3(CO2)C4)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C282,C#CCCC1(CCC(=O)NCc2cc(Oc3ccc(F)cc3)ccn2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C283,C#CCCC1(CCC(=O)NCc2nn[nH]c2-c2ccnn2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C284,C#CCCC1(CCNC(=O)c2c(-c3ccccc3)nc3sccn23)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C285,C#CCCC1(CCC(=O)NC2C(=O)Nc3ccc(C(C)C)cc32)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C286,C#CCCC1(CCC(=O)N2CCC(C(O)c3cccc(OC)c3)CC2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C287,C#CCCC1(CCC(=O)Nc2cccc3oc(C(F)(F)F)nc23)N=N1,1,0,0,0,0,0,1,1,0,0 | |
| C288,C#CCCC1(CCNC(=O)C2C3CC2(c2ccccc2C)CO3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C289,C#CCCC1(CCC(=O)Nc2cc(CCc3ccccc3C)n[nH]2)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C290,C#CCCC1(CCC(=O)NCc2cc(Cl)cc(S(=O)(=O)CC)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C291,C#CCCC1(CCC(=O)NC2(CCO)CS(=O)(=O)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C292,C#CCCC1(CCC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C293,C#CCCC1(CCC(=O)N2CCCn3c(cc4ccccc43)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C294,C#CCCC1(CCC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C295,C#CCCC1(CCC(=O)N2CCP(=O)(c3ccccc3)CC2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C296,C#CCCC1(CCNC(=O)c2cc(C)n3ncc(C(C)C)c3n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C297,C#CCCC1(CCNC(=O)c2cccn2Cc2cccnc2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C298,C#CCCC1(CCC(=O)NC2CCS(=O)(=O)C3(C2)CC(C(N)=O)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C299,C#CCCC1(CCNC(=O)Cc2nc(C(C)C)c(C)s2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C300,C#CCCC1(CCNC(=O)Cc2c(Cl)c(CC)nn2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C301,C#CCCC1(CCC(=O)NC(c2ccn[nH]2)C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C302,C#CCCC1(CCC(=O)N2CCc3nnc(N4C[C@H]5CN(C)C[C@H]5C4)cc3C2)N=N1,0,1,1,0,0,0,0,0,0,0 | |
| C303,C#CCCC1(CCC(=O)N2CCn3c(C(=O)NC(C)C)ccc3C2C)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C304,C#CCCC1(CCC(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C305,C#CCCC1(CCNC(=O)c2c(CC)nc3ccc(Cl)cn23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C306,C#CCCC1(CCC(=O)N2CCC(n3nnc4c(=O)[nH][nH]c(=O)c43)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C307,C#CCCC1(CCC(=O)N2CCCC(COC(F)(F)F)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C308,C#CCCC1(CCC(=O)N2CC(CC(N)=O)OC(C)(C)C2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C309,C#CCCC1(CCC(=O)N2CC[C@@H]3[C@H](C2)NC(=O)N3CCOC)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C310,C#CCCC1(CCC(=O)NCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C311,C#CCCC1(CCC(=O)N2CCS(=O)(=O)CC2c2ccc(C)o2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C312,C#CCCC1(CCC(=O)NC2CC3CCC(C2)N3S(C)(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C313,C#CCCC1(CCNC(=O)c2nnc(-c3ccccc3OC)[nH]2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C314,C#CCCC1(CCNC(=O)c2cc(C3CC3)nc3c(Cl)cnn23)N=N1,0,0,0,0,0,0,0,0,1,1 | |
| C316,C#CCCC1(CCC(=O)NCc2nc([C@H]3CN4CCC[C@H]4CO3)no2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C317,C#CCCC1(CCNC(=O)c2cc(S(=O)(=O)NC)cs2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C318,C#CCCC1(CCNC(=O)c2nc(C3CCN(C)CC3)n[nH]2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C319,C#CCCC1(CCC(=O)N2CC(c3n[nH]c4c3COCC4)C2)N=N1,0,1,0,1,0,1,0,0,0,0 | |
| C320,C#CCCC1(CCNC(=O)c2cc(C)n(-c3ncccn3)c2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C321,C#CCCC1(CCC(=O)NCC(O)(c2ncc(C)o2)C(F)(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C322,C#CCCC1(CCNC(=O)C2CN(C(=O)Nc3cc(Cl)ccc3OC)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C323,C#CCCC1(CCC(=O)NC2(C(N)=O)CC(C(F)F)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C326,C#CCCC1(CCNC(=O)c2c(-c3cn(C)nn3)noc2C(F)F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C327,C#CCCC1(CCNC(=O)C(C)N2C(=O)C3CC=CCC3C2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C328,C#CCCC1(CCNC(=O)c2cc(C)nc3onc(-c4c(C)nn(C)c4C)c23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C329,C#CCCC1(CCC(=O)N2CCCC(c3[nH]ncc3CN3CCOCC3)C2)N=N1,0,0,1,1,0,0,0,0,1,0 | |
| C331,C#CCCC1(CCC(=O)N2CCN(C3(C(N)=O)CCOC3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C332,C#CCCC1(CCC(=O)N[C@H]2CCCC[C@H]2Cc2nn(C)c(=O)n2C)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C333,C#CCCC1(CCC(=O)NC(C)c2ccc(N3CC(C)CS3(=O)=O)cc2)N=N1,0,0,0,1,0,0,0,1,0,0 | |
| C334,C#CCCC1(CCC(=O)NC2CC(N(C)C)C23CCC3)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C335,C#CCCC1(CCNC(=O)c2cc(S(=O)(=O)CC)c[nH]c2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C336,C#CCCC1(CCC(=O)N2CCCC(O)(CN(C)C)C2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C337,C#CCCC1(CCC(=O)N2CCC(C#N)(CCC=C)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C338,C#CCCC1(CCNC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)N=N1,0,1,0,0,1,0,0,0,0,0 | |
| C339,C#CCCC1(CCNC(=O)c2cc(-c3cc(F)ccc3F)on2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C340,C#CCCC1(CCC(=O)N2CCN(C(C)c3nc(C(C)C)no3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C342,C#CCCC1(CCC(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)C2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C343,C#CCCC1(CCC(=O)N2CCOC3(C2)C2CC4CC(C2)CC3C4)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C344,C#CCCC1(CCC(=O)N2CCCCCCNC(=O)C3CCCC32)N=N1,0,1,0,0,0,1,0,0,0,0 | |
| C345,C#CCCC1(CCC(=O)N2CC(c3nc(O)cc(O)n3)C2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C346,C#CCCC1(CCNC(=O)c2cccn3c(CC(C)C)nnc23)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C347,C#CCCC1(CCNC(=O)Cc2sc(-c3ccn[nH]3)nc2C)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C348,C#CCCC1(CCNC(=O)c2cnn(-c3nc(CC)cs3)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C349,C#CCCC1(CCC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C350,C#CCCC1(CCNC(=O)[C@@H]2C[C@]23CCOc2ccc(Cl)cc23)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C351,C#CCCC1(CCC(=O)NC(C)Cc2ccc(S(N)(=O)=O)cc2)N=N1,0,1,0,0,0,0,0,0,1,0 | |
| C352,C#CCCC1(CCC(=O)NCc2csc(CNC(C)=O)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C353,C#CCCC1(CCNC(=O)Cc2nc3nccc(-c4ccc(F)cc4)n3n2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C354,C#CCCC1(CCNC(=O)c2cc(OC)nn2-c2ncccc2Cl)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C355,C#CCCC1(CCNC(=O)c2cnc3ccc(OC)cc3c2C(F)(F)F)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C356,C#CCCC1(CCC(=O)N[C@@H]2C[C@H]2c2ccccc2OC(F)F)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C357,C#CCCC1(CCC(=O)NC2(Cc3ccc(F)c(C)c3)CC2)N=N1,0,0,0,0,0,0,1,0,0,0 | |
| C358,C#CCCC1(CCC(=O)N2CCS(=O)C(CC)(CC)C2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C359,C#CCCC1(CCC(=O)N2CCC3(CC2)OCc2ccncc23)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C360,C#CCCC1(CCC(=O)NCC2CCCC(C(F)(F)F)O2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C361,C#CCCC1(CCNC(=O)c2csc3cncn23)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C362,C#CCCC1(CCNC(=O)c2nc(-c3ccccc3)oc2C2CC2)N=N1,1,0,0,0,0,0,0,0,0,0 | |
| C363,C#CCCC1(CCNC(=O)c2nc(C(F)(F)F)n3ccccc23)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C364,C#CCCC1(CCNC(=O)c2csc3cc(Cl)cnc23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C365,C#CCCC1(CCC(=O)N2CC(N3CC(c4nc(C5CC5)no4)CC3=O)C2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C366,C#CCCC1(CCC(=O)NC(CO)c2cc(F)c(F)c(F)c2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C367,C#CCCC1(CCNC(=O)Cn2c(C)nc3cc(F)c(F)cc32)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C368,C#CCCC1(CCC(=O)NC[C@H]2C[C@@H](OC)CN2c2cc(C)ncn2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C369,C#CCCC1(CCNC(=O)[C@H]2CN(C(C)(C)C)C[C@@H]2C(F)(F)F)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C370,C#CCCC1(CCNC(=O)CC(C)c2ccncc2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C371,C#CCCC1(CCNC(=O)C23CCN(CC2)S(=O)(=O)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C373,C#CCCC1(CCNC(=O)c2cccc3c2C(C)(C)C(C)=N3)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C374,C#CCCC1(CCC(=O)N2CCc3ccc(C#N)nc3CC2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C375,C#CCCC1(CCC(=O)N2C[C@H]3[C@](C(F)(F)F)(CCS3(=O)=O)C2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C376,C#CCCC1(CCC(=O)N2CC(C(F)(F)F)CCC23CC3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C378,C#CCCC1(CCNC(=O)c2ncnn3cccc23)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C379,C#CCCC1(CCNC(=O)C2CCN(S(=O)(=O)c3cnn(CC)c3)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C380,C#CCCC1(CCC(=O)NCc2cccc3nsnc23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C381,C#CCCC1(CCC(=O)N2CC(OC)(c3cnnn3C)C2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C382,C#CCCC1(CCC(=O)Nc2cccc(OCc3cscn3)c2)N=N1,0,0,0,0,1,0,0,1,0,0 | |
| C383,C#CCCC1(CCC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C384,C#CCCC1(CCC(=O)Nc2ccc(N3N=C(COC)CC3=O)nc2)N=N1,0,0,0,0,1,0,0,0,0,0 | |
| C385,C#CCCC1(CCC(=O)N2CCC3(CCOCC3)C23CC3)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C386,C#CCCC1(CCC(=O)N2CCCC3CCC(F)(F)CC32)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C387,C#CCCC1(CCC(=O)N2CC3(CCC3)OC3(CCC3)C2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C388,C#CCCC1(CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C389,C#CCCC1(CCNC(=O)c2cn3ccnc3s2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C390,C#CCCC1(CCNC(=O)c2ncoc2-c2ccc(C)cc2)N=N1,0,0,0,0,1,0,0,1,0,0 | |
| C391,C#CCCC1(CCNC(=O)c2csc(-c3cn[nH]c3)c2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C392,C#CCCC1(CCNC(=O)c2ccccc2N(C)C(=O)c2scnc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C393,C#CCCC1(CCNC(=O)CN2CCCC3(CC3)S2(=O)=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C394,C#CCCC1(CCNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C395,C#CCCC1(CCC(=O)NC(C)Cn2cnc3c(cnn3C)c2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C396,C#CCCC1(CCNC(=O)c2ccccc2Cc2ncn[nH]2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C397,C#CCCC1(CCC(=O)Nc2ccc3nnc(-c4ccc(F)cc4)n3c2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C398,C#CCCC1(CCC(=O)Nc2ccc(F)c(NC(=O)Cn3cncn3)c2)N=N1,0,0,0,0,0,0,0,0,1,0 | |
| C399,C#CCCC1(CCNC(=O)c2snnc2-c2ccccc2C)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C400,C#CCCC1(CCNC(=O)c2c[nH]c(C(C)(C)C)n2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C401,C#CCCC1(CCC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C402,C#CCCC1(CCNC(=O)C(C)c2ncccc2F)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C403,C#CCCC1(CCNC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C404,C#CCCC1(CCC(=O)NC(CC)c2nc(C)n[nH]2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C405,C#CCCC1(CCNC(=O)C(C)Cc2ccc3c(c2)OCO3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C406,C#CCCC1(CCNC(=O)c2ccc(-c3noc(=O)[nH]3)cc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C407,C#CCCC1(CCC(=O)Nc2ccc(C34CC5CC(CC(O)(C5)C3)C4)cc2)N=N1,1,0,0,0,0,0,0,0,0,1 | |
| C408,C#CCCC1(CCNC(=O)C2CCN(c3ccc(C)cc3)C2=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C409,C#CCCC1(CCC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)N=N1,0,0,0,0,0,1,0,0,0,0 | |
| C410,C#CCCC1(CCNC(=O)c2cccc(N=S3(=O)CCCC3)c2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C411,C#CCCC1(CCC(=O)NCc2cnn(CCO)c2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C412,C#CCCC1(CCNC(=O)C(C)(C)Cc2cnn[nH]2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C413,C#CCCC1(CCNC(=O)c2cc3cccc(OC(F)F)c3o2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C414,C#CCCC1(CCC(=O)N2CCC3(CC2)CCC(F)(F)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C415,C#CCCC1(CCC(=O)NCc2ncc(OC)c(O)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C416,C#CCCC1(CCNC(=O)c2ccoc2C2(O)CCOCC2)N=N1,0,0,0,1,0,0,0,0,0,0 | |
| C417,C#CCCC1(CCNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N=N1,0,1,0,0,0,1,0,0,1,0 | |
| C418,C#CCCC1(CCC(=O)Nc2cn(CC(F)F)nc2OC)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C419,C#CCCC1(CCNC(=O)Cc2cc(Cl)cc3c2OCC3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C420,C#CCCC1(CCNC(=O)c2sc3ncccc3c2Cl)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C421,C#CCCC1(CCNC(=O)c2nc(OC(C)C)ccc2Cl)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C422,C#CCCC1(CCC(=O)NC2CC3CCC2(C(F)(F)F)C3)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C423,C#CCCC1(CCC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)N=N1,0,0,0,0,0,0,0,0,0,1 | |
| C424,C#CCCC1(CCC(=O)Nc2ccc(F)c(N3CCS(=O)(=O)CC3)c2)N=N1,0,0,0,0,0,0,0,1,0,0 | |
| C425,C#CCCC1(CCNC(=O)COC2CCN(C)CC2)N=N1,0,0,1,0,0,0,0,0,0,0 | |
| C426,C#CCCC1(CCNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C427,C#CCCC1(CCC(=O)NC2CCc3n[nH]c(=O)cc3C2)N=N1,0,1,0,0,0,1,0,0,0,0 | |
| C428,C#CCCC1(CCC(=O)N2CCCC(C#N)(c3ccccn3)C2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C429,C#CCCC1(CCC(=O)NC(C)c2ccc(-c3csc(C)n3)cc2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C430,C#CCCC1(CCNC(=O)c2cn(-c3cccnc3)nc2C2CCOCC2)N=N1,0,1,0,0,0,0,0,0,0,0 | |
| C431,C#CCCC1(CCC(=O)N2CCCC2c2c(OC)n(C)c3ccccc23)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C432,C#CCCC1(CCNC(=O)c2cc(=O)[nH]c(C3CCOCC3)n2)N=N1,0,0,0,0,0,0,0,0,0,0 | |
| C433,C#CCCC1(CCNC(=O)c2cc(OC)c3c(c2)OCCO3)N=N1,0,0,0,0,0,0,0,0,0,0 | |