SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCN2CCCC2)cc1 | jnk3 |
c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCCCC4)c3)ccc2c1 | jnk3 |
COc1ccc(Nc2ncc3nc(Nc4c(F)cccc4F)n(C4CCCC4)c3n2)cc1 | jnk3 |
Cc1ccc(-c2cccc3cnc(NC4CCC(O)CC4)nc23)cn1 | jnk3 |
O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1 | jnk3 |
Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1 | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccno2)CC1 | jnk3 |
COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 | jnk3 |
COC1CCN(c2nccc(C(C#N)c3nc4ccccc4s3)n2)CC1 | jnk3 |
CCCc1cn(C)nc1-c1ccnc(Nc2ccc(-n3nc(C)nc3C)cc2)c1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncccn4)c3c2)cc1 | jnk3 |
C=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 | jnk3 |
CNC(=O)[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@H]4CCOC4)c3n2)CC1 | jnk3 |
NC(=O)c1ccccc1Nc1cc(Oc2ccc3c(c2)OCO3)ncc1C(F)(F)F | jnk3 |
c1ccc2cc(-c3nn[nH]c3-c3ccncc3)ccc2c1 | jnk3 |
CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 | jnk3 |
COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cc1F | jnk3 |
Oc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCOCC2)c1 | jnk3 |
c1ccc2cc(-c3ccnn3-c3ccncc3)ccc2c1 | jnk3 |
O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1 | jnk3 |
CNC(=O)CN1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1 | jnk3 |
Cc1ccc(-c2cccc3cnc(Nc4ccc5c(c4)OCO5)nc23)cn1 | jnk3 |
COc1cccc(-c2cc(C(O)Nc3ccc(C(C)=O)cc3)on2)c1 | jnk3 |
COc1ccccc1Oc1cc(Nc2ccccc2C(N)=O)c(C(F)(F)F)cn1 | jnk3 |
NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)c(F)c2)ncc1Cl | jnk3 |
Oc1nnc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cc(Br)ccc2c1 | jnk3 |
O=C(NC(CO)c1ccc(F)c(F)c1)C1C=C(c2[nH]ncc2-c2cccc(Cl)c2)C=N1 | jnk3 |
COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(-c6ccccn6)n5)cc4)nc23)cc1F | jnk3 |
O=C(Nc1cc(-c2n[nH]c(=O)n2-c2ccc3ccccc3c2)ccn1)c1ccccc1 | jnk3 |
COCCNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 | jnk3 |
Cc1ccc2c(c1)c(N=O)c(O)n2Cc1cccc(C(F)(F)F)c1 | jnk3 |
Cc1nc(C)n(-c2ccc(Nc3cc(-c4nn(C)cc4C)ccn3)cc2)n1 | jnk3 |
NC(=O)c1ccsc1NC(=O)c1cccs1 | jnk3 |
CN(C)CCNc1nccc(C(C#N)c2nc3ccccc3s2)n1 | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 | jnk3 |
COC1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1 | jnk3 |
NC(=O)c1ccccc1Nc1cc(Oc2ccc3ccccc3c2)ncc1C(F)(F)F | jnk3 |
Cc1ccc(-c2csc3ncnc(SCCC(=O)O)c23)cc1 | jnk3 |
COC(=O)c1ccc2c(N=O)c(O)n(Cc3cc(F)cc4c3OCOC4)c2c1 | jnk3 |
Oc1nnc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
CCOC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 | jnk3 |
O=C(NC(CO)c1ccc(Cl)cc1)C1C=C(c2[nH]ncc2-c2cccc(Cl)c2)C=N1 | jnk3 |
COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5Cl)ccc43)c2)cc(OC)c1OC | jnk3 |
O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1cccc2cnccc12 | jnk3 |
COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1 | jnk3 |
Oc1cccc(-c2nc3ccccc3n2-c2ccnc(N[C@@H]3CCCNC3)c2)c1 | jnk3 |
CNc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1ccc(-c2ccncc2)cc1 | jnk3 |
O=C(Cc1cccc2ncc(F)cc12)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
O=C(c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1 | jnk3 |
NC1=CC=C2SN=C3c4ccccc4C(=O)C1C23 | jnk3 |
O=C(Cc1cccc2cnccc12)Nc1scc(Cl)c1-c1ncn[nH]1 | jnk3 |
Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2N2CCOCC2)cc1 | jnk3 |
COc1ccc(N2CCN(C(C)C)CC2)cc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 | jnk3 |
CNC(=O)CN1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 | jnk3 |
c1ccc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc1 | jnk3 |
NC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ccccc3c2)c1 | jnk3 |
O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc5ccccc5c4)nc4cc(O)ccc43)n2)C1 | jnk3 |
O=C(NCCCN1CCCC1=O)c1cnccc1Nc1nc(-c2cc(Br)ccc2F)nc2nccnc12 | jnk3 |
N#CC(c1ccnc(NCCc2ccccc2F)n1)c1nc2ccccc2s1 | jnk3 |
CN(C)c1nccc(C(C#N)c2nc3ccccc3s2)n1 | jnk3 |
COc1ccc(CN=C(C)C(C#N)C(N)=O)cc1OC | jnk3 |
O[C@H]1CC[C@H](Nc2ncc3nc(Nc4c(F)cc(F)cc4F)n([C@@H]4CCOC4)c3n2)CC1 | jnk3 |
COc1ccc(Oc2cc(Nc3ccccc3-c3ncn[nH]3)c(Cl)cn2)cc1 | jnk3 |
CN(C)c1c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)cnn1Cc1ccccc1 | jnk3 |
Cn1cc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1 | jnk3 |
O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOC1 | jnk3 |
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@H](N)CC4)c3n2)cc1 | jnk3 |
O=C(C1CC1)N1CCC[C@@H](Nc2nccc(-n3c(-c4ccc5ccccc5c4)nc4ccc(O)cc43)n2)C1 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1cccc2ncccc12 | jnk3 |
COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(N[C@@H]2CCCN(C(=O)C3CC3)C2)n1 | jnk3 |
CS(=O)(=O)N(c1ccc(-c2cnc3ccc4ccncc4c3c2)cc1)S(C)(=O)=O | jnk3 |
CCn1ncc(-c2cc(C(O)Nc3ccccc3C(=O)OC)on2)c1C | jnk3 |
Fc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(CCc2ccccc2)n1 | jnk3 |
N#CC(c1ccnc(NCCCO)n1)c1nc2ccccc2s1 | jnk3 |
c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(N3CCOCC3)cc2n1 | jnk3 |
Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2C2CC2)cc1 | jnk3 |
N#Cc1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)cc1 | jnk3 |
COc1cc2c(cc1Cl)C(c1ccc(F)cc1)=NCC2 | jnk3 |
O=Nc1c(O)n(Cc2ccccc2F)c2ccccc12 | jnk3 |
COCCNc1nccc(C(C#N)c2nc3ccccc3s2)n1 | jnk3 |
O=C1c2ccccc2C(=O)C1c1ccncc1 | jnk3 |
NCc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccc(C(F)(F)F)cc5F)c4)c3c2)cc1 | jnk3 |
O=Nc1c(O)n(Cc2cc(F)cc3c2OCOC3)c2cccc(/C=C/c3ccccc3)c12 | jnk3 |
CCN(CC)S(=O)(=O)c1ccc2[nH]c(COC(=O)c3[nH]nc4ccccc34)nc2c1 | jnk3 |
N#CC(c1ccnc(NCc2cccnc2)n1)c1nc2ccccc2s1 | jnk3 |
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccncc2)n1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(-c4ccncc4)c3c2)cc1 | jnk3 |
Nc1cccc2ccc(-n3c(O)nnc3-c3ccnc(NC4CCOCC4)c3)cc12 | jnk3 |
CCc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1 | jnk3 |
CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 | jnk3 |
O=Nc1c(O)n(Cc2cc(F)cc3c2OCOC3)c2cccc(Br)c12 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1ccc(C(F)(F)F)cc1 | jnk3 |
Cc1ccc(-c2ncn(-c3ccc(Nc4ncc5ccc(-c6cn[nH]c6)cc5n4)cc3)n2)cn1 | jnk3 |
N#CC(c1ccnc(NCCCn2ccnc2)n1)c1nc2ccccc2s1 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1cccs1 | jnk3 |
NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 | jnk3 |
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2ncccc12 | jnk3 |
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