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molecule_smiles
stringlengths 36
139
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int64 0
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CCOCCCNc1nc(NCc2ccc3scnc3c2)nc(Nc2cnccc2C(=O)N[Dy])n1 | 0 |
COC(=O)c1cc(Nc2nc(Nc3cc(F)ccn3)nc(Nc3cnccc3C(=O)N[Dy])n2)ccc1C | 0 |
COC[C@H](CNc1nc(Nc2cnccc2C(=O)N[Dy])nc(Nc2c(C(=O)OC)c[nH]c2C(=O)OC)n1)OC | 0 |
COc1cc(Nc2nc(Nc3nc4c(Br)cccc4s3)nc(Nc3cnccc3C(=O)N[Dy])n2)cc(OC)c1 | 0 |
COc1cccc(F)c1CNc1nc(NCC2CCN(c3ccc(Br)cc3)C2)nc(Nc2cnccc2C(=O)N[Dy])n1 | 0 |
CSc1ccc(CNc2nc(NCC(c3ccco3)N(C)C)nc(Nc3cnccc3C(=O)N[Dy])n2)o1 | 0 |
COC(=O)c1cc(F)cc(Nc2nc(Nc3cc(C)cc(Cl)c3)nc(Nc3cnccc3C(=O)N[Dy])n2)c1 | 0 |
Cc1ccc(F)c(Nc2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc(Nc3cnccc3C(=O)N[Dy])n2)c1 | 0 |
Cc1cc(Cl)cc(Nc2nc(Nc3cc(S(C)(=O)=O)ccc3C)nc(Nc3cnccc3C(=O)N[Dy])n2)c1 | 0 |
Cn1c(CNc2nc(Nc3cnccc3C(=O)N[Dy])nc(Nc3c(F)cccc3F)n2)n[nH]c1=O | 0 |
COc1ccc(Nc2nc(NCc3nnn(C)c3C(F)F)nc(Nc3cnccc3C(=O)N[Dy])n2)cn1 | 0 |
O=C(N[Dy])c1ccncc1Nc1nc(NCC2CCC3CC3C2)nc(NCC2CC23CCOCC3)n1 | 0 |
COc1ccc(Nc2nc(NCCCNC(=O)c3ccc(F)cc3)nc(Nc3cnccc3C(=O)N[Dy])n2)nc1 | 0 |
Cn1ccc(Nc2nc(NCc3ccc(-c4c[nH]c(=O)[nH]c4=O)cc3)nc(Nc3cnccc3C(=O)N[Dy])n2)n1 | 0 |
Cn1ccc2cc(Nc3nc(Nc4ccc5c(cnn5C)c4)nc(Nc4cnccc4C(=O)N[Dy])n3)ccc21 | 0 |
COC(=O)c1cc(F)cc(Nc2nc(NC3=NC(=O)CS3)nc(Nc3cnccc3C(=O)N[Dy])n2)c1 | 0 |
O=C(N[Dy])c1ccncc1Nc1nc(NCC2CCC(C(F)F)CC2)nc(Nc2nc(Cl)c3cn[nH]c3n2)n1 | 0 |
O=C1CC[C@@H](CNc2nc(NCCN3CCC4(C3)OCCO4)nc(Nc3cnccc3C(=O)N[Dy])n2)N1 | 0 |
O=C(N[Dy])c1ccncc1Nc1nc(NCc2ccccc2N2CCOCC2)nc(Nc2nc3ccccc3o2)n1 | 0 |
COc1ccc(Nc2nc(NCc3cccnc3)nc(Nc3cnccc3C(=O)N[Dy])n2)c(Cl)c1 | 0 |
O=C(N[Dy])c1ccncc1Nc1nc(NCc2cc3c(s2)CCSC3)nc(Nc2cc(N3CCCC3)ccn2)n1 | 0 |
COC(=O)c1sccc1Nc1nc(Nc2ccc(Cl)cc2F)nc(Nc2cnccc2C(=O)N[Dy])n1 | 0 |
O=C(N[Dy])c1ccncc1Nc1nc(NCc2nc3ccccc3o2)nc(Nc2ccc(OC(F)F)cc2)n1 | 0 |
Cc1ncc(Nc2nc(Nc3cnccc3C(=O)N[Dy])nc(Nc3cccc4ocnc34)n2)cc1Br | 0 |
CC(C)(C)OC(=O)N1CCN(c2ccccc2Nc2nc(Nc3cnccc3C(=O)N[Dy])nc(Nc3cccnc3[N+](=O)[O-])n2)CC1 | 0 |
N#Cc1cnn(-c2ccccc2)c1Nc1nc(Nc2cnccc2C(=O)N[Dy])nc(Nc2ccncc2[N+](=O)[O-])n1 | 0 |
CN(C)C1(CNc2nc(Nc3cncc(Cl)n3)nc(Nc3cnccc3C(=O)N[Dy])n2)CCSC1 | 0 |
CCS(=O)CCNc1nc(Nc2nc(C3CC3)cs2)nc(Nc2cnccc2C(=O)N[Dy])n1 | 0 |
Cc1nc(Nc2nc(Nc3nc(Cl)cc(Cl)n3)nc(Nc3cnccc3C(=O)N[Dy])n2)ccc1Cl | 0 |
Cn1nnc(Nc2nc(Nc3ncc(F)cn3)nc(Nc3cnccc3C(=O)N[Dy])n2)n1 | 0 |
C=C(Cl)CNc1nc(NCC(C)(F)F)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1 | 0 |
C=CCOC(C)CNc1nc(Nc2nccs2)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1 | 0 |
CC(=O)Nc1cccc(Nc2nc(NCC=Cc3cccnc3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)n1 | 0 |
CCC(CNc1nc(NCc2ccc(C)n2C)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1)Oc1ccccc1C | 0 |
C=CCOCCNc1nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)nc(Nc2nc(SC)ncc2C(=O)OCC)n1 | 0 |
CCOC(=O)c1ncccc1Nc1nc(NCCCOCOC)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1 | 0 |
CN1CCN(C(=O)CCNc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3sccc3C#N)n2)CC1 | 0 |
COC(=O)c1cnc(Nc2nc(Nc3cnccn3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)cn1 | 0 |
COc1c(F)cc(Nc2nc(Nc3nc4nc[nH]c4c(=O)[nH]3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)cc1F | 0 |
COc1ccc(CNc2nc(NCc3cc(Br)cc4cccnc34)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)cc1C#N | 0 |
COc1ccc(Cl)c(Nc2nc(NCC3(Cc4ccccc4)CC3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)c1 | 0 |
COc1ccccc1OCCCCNc1nc(NCC(C)(O)c2ccsc2)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1 | 0 |
Cc1cnc(CCNc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3cccc4ncccc34)n2)s1 | 0 |
Cc1cnc(O)c(Nc2nc(Nc3ccc4cc(Br)ccc4c3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)c1 | 0 |
Cc1sc(CCNc2nc(NCCC3SCCS3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)nc1-c1ccccc1 | 0 |
Cc1ccc(CNc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3sc(C)c(C)c3C#N)n2)nc1C | 0 |
O=C1CC(CNc2nc(NCC3CN4CCN3CC4)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)CCN1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCC4(O)C5C6CC7C8C6CC5C8C74)nc(Nc4ccc5c(c4)CNC5=O)n3)n2)cc1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCC4CC5(C4)CC5(F)F)nc(Nc4cncnc4)n3)n2)cc1 | 0 |
Cc1ccc(Nc2nc(NCCCOc3cccc(F)c3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)cc1Br | 0 |
CN1CCN(C(=O)CCNc2nc(NCCn3cnc4sccc4c3=O)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)CC1 | 0 |
O=C(CNc1nc(NCc2ccc(CN3C(=O)CNC3=O)cc2)nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)n1)NCc1ccncc1 | 0 |
COC(=O)c1cnccc1Nc1nc(Nc2nc(-c3ccc(C(=O)N[Dy])cc3)cs2)nc(Nc2ccc(C#N)cc2[N+](=O)[O-])n1 | 0 |
CN1CCO[C@@H](CNc2nc(NCC3(OCCO)CCC3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)[C@@H]1c1cnn(C)c1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCc4ccccc4N4CCOCC4)nc(NCC(F)(F)C(F)(F)F)n3)n2)cc1 | 0 |
COc1cc(CNc2nc(Nc3cc(-c4ccccc4)[nH]n3)nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)n2)sn1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCC4CCOCC45CCCC5)nc(Nc4cc(Br)ccc4CO)n3)n2)cc1 | 0 |
O=C1CC[C@@H](CNc2nc(Nc3nc(-c4ccc(C(=O)N[Dy])cc4)cs3)nc(Nc3cc(Br)ccc3CO)n2)N1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCc4ccc(N5CCOCC5)cc4C(F)(F)F)nc(Nc4cccc(-n5cncn5)c4)n3)n2)cc1 | 0 |
Cc1cn(-c2cc(Nc3nc(Nc4nc(-c5ccc(C(=O)N[Dy])cc5)cs4)nc(Nc4ccncc4[N+](=O)[O-])n3)cc(C(F)(F)F)c2)cn1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCc4cn5cc(Br)ccc5n4)nc(Nc4nc(C5CC5)cs4)n3)n2)cc1 | 0 |
O=C(N[Dy])c1ccc(-c2csc(Nc3nc(NCc4ccc(CN5C(=O)CNC5=O)cc4)nc(Nc4nc(NCc5ccc(F)cc5)ccc4[N+](=O)[O-])n3)n2)cc1 | 0 |
C#CCOc1cccc(CNc2nc(Nc3nc(-c4ccccc4Cl)cs3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c1 | 0 |
C#Cc1cccc(Nc2nc(Nc3cnc(Br)c(C)c3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c1 | 0 |
CC(C)(C)c1ccc(O)c(Nc2nc(NCC(=O)NCCN3CCOCC3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c1 | 0 |
CC1(CNc2nc(Nc3nc4ccccc4o3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)CCC2(CC1)OCCO2 | 0 |
CC1CCCC(CNc2nc(NC[C@@H]3C[C@@H]4C=C[C@H]3C4)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)O1 | 0 |
CCC(CC)(CNc1nc(NCCCc2nc3c(n2Cc2nccn2C)CCCC3)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1)OC | 0 |
COC(=O)c1scnc1Nc1nc(NCCC(=O)NCc2ccncc2)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1 | 0 |
COCC1(CNc2nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)nc(Nc3cc(OC)ccc3Cl)n2)CCCCC1 | 0 |
COc1ccc([N+](=O)[O-])c(Nc2nc(NCC(C)(O)c3ccsc3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)n1 | 0 |
COC(=O)c1sccc1Nc1nc(NCc2cncc(Br)c2C)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1 | 0 |
Cc1c(CNc2nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)nc(Nc3ncnc(Cl)c3Cl)n2)oc2ccc(F)cc12 | 0 |
Cc1c([C@@H]2[C@@H](CNc3nc(Nc4ccc(=O)n(C)c4)nc(Nc4nc(C(F)(F)F)c(C(=O)N[Dy])s4)n3)CC(=O)N2C)cnn1C | 0 |
Cc1cc([N+](=O)[O-])c(Nc2nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)nc(Nc3n[nH]c4c(F)c(F)ccc34)n2)cc1Cl | 0 |
O=C1CC(CNc2nc(Nc3nc(C4CC4)cs3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)CCN1 | 0 |
Cc1cc(CNc2nc(NCc3nnc4n3CCOCC4)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c(C)o1 | 0 |
NC(=O)C(F)(F)CNc1nc(NCc2nc3c(s2)CCCCC3)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1 | 0 |
NC(=O)[C@H]1CC[C@H](CNc2nc(NCCC[C@@H]3NC(=O)NC3=O)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)CC1 | 0 |
O=C(N[Dy])c1sc(Nc2nc(NCCc3cc(Br)c(Br)s3)nc(NCCc3nccn3C(F)F)n2)nc1C(F)(F)F | 0 |
O=C(N[Dy])c1sc(Nc2nc(NCc3nc4ccccc4o3)nc(Nc3ccc(F)cc3Cl)n2)nc1C(F)(F)F | 0 |
N#Cc1ccc(Nc2nc(NCCc3ccno3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c([N+](=O)[O-])c1 | 0 |
N#Cc1cncnc1Nc1nc(NCc2ncccc2F)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1 | 0 |
N#Cc1cnn(-c2ccccc2)c1Nc1nc(NCc2ccnc(-n3cncn3)c2)nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)n1 | 0 |
O=C(N[Dy])c1sc(Nc2nc(NCCc3nccc(C4CC4)n3)nc(Nc3cc(Cl)nc(Cl)n3)n2)nc1C(F)(F)F | 0 |
O=C(N[Dy])c1sc(Nc2nc(NCC3CCC4CC4C3)nc(Nc3ccc(-c4ccccc4)cn3)n2)nc1C(F)(F)F | 0 |
CC(C)(C)NS(=O)(=O)c1cccc(Nc2nc(Nc3ccc(F)nc3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c1 | 0 |
O=C1Cc2cc(Nc3nc(Nc4nc5ccccc5o4)nc(Nc4nc(C(F)(F)F)c(C(=O)N[Dy])s4)n3)ccc2N1 | 0 |
COC(=O)c1nccnc1Nc1nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)nc(Nc2cccc3[nH]ccc23)n1 | 0 |
COC(=O)c1cc(Cl)nc(Cl)c1Nc1nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)nc(Nc2cccc3ocnc23)n1 | 0 |
Cc1ccc(Nc2nc(Nc3cnc(Br)cn3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)c(Cl)n1 | 0 |
O=C(N[Dy])c1sc(Nc2nc(NCC3CSCCN3Cc3ccccc3)nc(Nc3nc(-c4ccc(Cl)c(Cl)c4)cs3)n2)nc1C(F)(F)F | 0 |
O=C1CCC(N2Cc3c(Nc4nc(Nc5nc(C(F)(F)F)c(C(=O)N[Dy])s5)nc(Nc5nc(NCc6ccc(F)cc6)ccc5[N+](=O)[O-])n4)cccc3C2=O)C(=O)N1 | 0 |
C#CCOc1ccc(CNc2nc(Nc3ncc([N+](=O)[O-])cn3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)cc1 | 0 |
CCOC(=O)c1coc(Nc2nc(Nc3ncc([N+](=O)[O-])cn3)nc(Nc3nc(C(F)(F)F)c(C(=O)N[Dy])s3)n2)n1 | 0 |
CC(CNc1nc(Nc2nc(C(F)(F)F)c(C(=O)N[Dy])s2)nc(Nc2ncnc3c2ncn3C2CCCCO2)n1)Sc1ccccc1 | 0 |
O=C(N[Dy])c1sc(Nc2nc(Nc3nnc(S)s3)nc(Nc3nc4ccc(Cl)cc4s3)n2)nc1C(F)(F)F | 0 |
CC(C)c1nnc([C@H]2C[C@H](CNc3nc(Nc4nc(Cl)ccc4C(=O)N[Dy])nc(Nc4cccc5ncccc45)n3)[C@H](O)C2)[nH]1 | 0 |
CCOC(=O)c1coc(Nc2nc(NCC3CC(C)(C)OC3(C)C)nc(Nc3nc(Cl)ccc3C(=O)N[Dy])n2)n1 | 0 |
CCS(=O)CCNc1nc(NCCS(=O)(=O)C2CCOCC2)nc(Nc2nc(Cl)ccc2C(=O)N[Dy])n1 | 0 |
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