SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
COc1ccc(CC(=O)Nc2ccsc2-c2nc(N)n[nH]2)cc1 | jnk3 |
N#Cc1ccc2c(ccc(=O)n2CC(=O)Nc2scc(Br)c2-c2ncn[nH]2)c1 | jnk3 |
CN(C)CC(=O)N1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C#N)C1 | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc(C)n2)CC1 | jnk3 |
Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCOC(C)(C)C4)c3)c2)c1 | jnk3 |
Fc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(CCN2CCOCC2)n1 | jnk3 |
O=C(Cn1c(=O)ccc2nc(C(F)(F)F)ccc21)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
N#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-c1cscn1 | jnk3 |
COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1 | jnk3 |
Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1 | jnk3 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1 | jnk3 |
CCNC(=O)N1CCC(Nc2nccc(-c3cnc4ccccn34)n2)CC1 | jnk3 |
O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)o1 | jnk3 |
Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(-c5cccc(C#N)c5)n4)ccn3)cc2)n1 | jnk3 |
Cc1cccc(NC(=O)c2ccc(C(F)F)o2)c1N1CCC2(CC1)OCCO2 | jnk3 |
CC(=O)N1CCC[C@@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)C1 | jnk3 |
O=c1n(C2CCNCC2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OC)cc1 | jnk3 |
COc1ccc(Oc2cc(Nc3c(Cl)cccc3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
COc1ccc(Oc2cc(Nc3ccc(F)cc3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
COc1ccc(Oc2cc(Nc3cccc(OC)c3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
COC(=O)c1sccc1NC(=O)Cc1ccccc1 | jnk3 |
COc1ccc(Oc2cc(Nc3cc(F)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
CN1CCN(CCCNc2nccc(C(C#N)c3nc4ccccc4s3)n2)CC1 | jnk3 |
NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl | jnk3 |
Cc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5F)ccc43)c2)ccc1N1CCOCC1 | jnk3 |
N#Cc1ccc(NC(O)c2cc(-c3ccc(F)cc3)no2)cc1 | jnk3 |
Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4cn[nH]c4)ccn3)cc2)n1 | jnk3 |
Cc1cccc2c1c(N=O)c(O)n2Cc1cc(F)cc2c1OCOC2 | jnk3 |
N[C@H]1CC[C@H](Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1 | jnk3 |
CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2nc(Br)cs2)CC1 | jnk3 |
N#Cc1csc(NC(=O)Cc2cccc3ncccc23)c1-c1ncn[nH]1 | jnk3 |
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ccn[nH]1 | jnk3 |
Nc1ccc2cc(-n3c(-c4ccnc(NC5CCOCC5)c4)n[nH]c3=O)ccc2c1 | jnk3 |
O=Nc1c(O)n(Cc2cc(F)cc3c2OCOC3)c2ccc(Cl)cc12 | jnk3 |
O=C(NC(CO)c1cccc(F)c1)C1C=C(c2[nH]ncc2-c2cccc(Cl)c2)C=N1 | jnk3 |
COc1cc(C(=O)NCc2cn3ccccc3n2)cc(OC)c1OC | jnk3 |
O=C(Nc1cccc(Cl)c1N1CCN(Cc2ccccc2)CC1)c1ccc(Br)o1 | jnk3 |
N#Cc1cccc2c1c(N=O)c(O)n2Cc1cc(F)cc2c1OCOC2 | jnk3 |
C=CCN1CCN(c2c(C)cccc2NC(=O)c2ccc(Br)o2)CC1 | jnk3 |
NC(=O)c1ccccc1Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ncc1C(F)(F)F | jnk3 |
CCOC(=O)c1c(C#N)csc1NC(=O)Cc1ccc(OC)cc1 | jnk3 |
CC(=O)N1CCCCC1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1 | jnk3 |
COc1c(-c2cnn(C)c2)ccc2cnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)nc12 | jnk3 |
O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 | jnk3 |
Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(F)cn3)cc2)n1 | jnk3 |
Oc1nnc(-c2ccnc(Nc3cccnc3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
CNC(=O)c1ccccc1Nc1cc(Nc2ccc(C(=O)N(C)C)cc2)ncc1C(F)(F)F | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2cnc(Br)s2)CC1 | jnk3 |
O=C(NC1CCNCC1)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1 | jnk3 |
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)C1CCOCC1 | jnk3 |
O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1 | jnk3 |
Cc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc23)cn1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1 | jnk3 |
c1ccc2cc(-n3ccnc3-c3ccncc3)ccc2c1 | jnk3 |
c1ccc2cc(-c3nc4ccccc4n3-c3ccnc(NC4CCOCC4)c3)ccc2c1 | jnk3 |
COc1ccc(Nc2ncc3nc(Nc4ccccc4F)n([C@H]4CC[C@@H](C(N)=O)CC4)c3n2)cc1 | jnk3 |
O=C(O)c1cccc(-c2n[nH]c3cc(Nc4ccccc4Cl)ccc23)c1 | jnk3 |
COC(=O)c1c(C)csc1NC(=O)Cc1cccc2nccnc12 | jnk3 |
Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(-c5ccccn5)n4)ccn3)cc2)n1 | jnk3 |
O=Nc1c(O)n(Cc2ccccc2)c2ccc(Br)cc12 | jnk3 |
CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)OC(CCC)CCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1 | jnk3 |
N#Cc1csc(NC(=O)Cn2c(=O)ccc3cc(C(F)(F)F)ccc32)c1-c1ncco1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc1 | jnk3 |
Cn1cnc(-c2c(Br)csc2NC(=O)CN2C(=O)CCc3ncccc32)n1 | jnk3 |
COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(C)n5)cc4)nc23)cc1F | jnk3 |
COc1cc2c(cc1Cl)CCN=C2c1cccc(Br)c1 | jnk3 |
c1ccc(-c2n[nH]c3ccccc23)cc1 | jnk3 |
Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2Cl)cn1 | jnk3 |
CO[C@H]1CC[C@@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1 | jnk3 |
O=C(Cc1cccc2ncccc12)Nc1scc(Cl)c1-c1ncn[nH]1 | jnk3 |
CNc1nccc(C(C#N)c2nc3ccccc3s2)n1 | jnk3 |
Oc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(N[C@@H]2CCCNC2)c1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccc(F)cn4)c3c2)cc1 | jnk3 |
COc1cc(NC(O)c2cc(-c3cccc(OC)c3OC)no2)cc(OC)c1OC | jnk3 |
O=C(Cc1cc(C(F)(F)F)cc2ncccc12)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
c1ccc2cc(-n3nncc3-c3ccncc3)ccc2c1 | jnk3 |
N#CC(c1cc(Br)nc(Cl)n1)c1nc2ccccc2s1 | jnk3 |
COCCNC(=O)c1sccc1NC(=O)Cc1ccccc1 | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2cscn2)CC1 | jnk3 |
CCn1cc(-c2cc(C(O)Nc3ccccc3C(=O)OC)on2)c(C)n1 | jnk3 |
CN(C)C(=O)c1ccc(Nc2cc(Nc3ccccc3C(N)=O)ccn2)cc1 | jnk3 |
O=c1n(CC2CCOCC2)nc(-c2ccnc(NC3CCCCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(OCCCn2ccnc2)cc1 | jnk3 |
NC(=O)c1ccccc1Nc1cc(Oc2ccc(-n3cncn3)cc2)ncc1C(F)(F)F | jnk3 |
NC(=O)c1ccccc1Nc1ccnc(Oc2ccccc2)c1 | jnk3 |
O=c1n(Cc2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CO)CC3)n1 | jnk3 |
Cc1cccc(NC(=O)c2ccc(F)o2)c1N1CCC2(CC1)OCCO2 | jnk3 |
Cc1cccc(Nc2ccc3c(cnn3-c3cccc(C(=O)NCCN4CCN(C5CCC5)CC4)c3)c2)c1Cl | jnk3 |
CN1CCN(CCNC(=O)c2cccc(-n3ncc4cc(Nc5c(Cl)cccc5Cl)ccc43)c2)CC1 | jnk3 |
Cc1cnc(Nc2ccc(-n3cnc(N4CCOCC4)n3)cc2)cc1-c1ccn(C)n1 | jnk3 |
COC(=O)c1ccccc1NC(=O)Cc1cccc2ccccc12 | jnk3 |
COc1ccc(CC(=O)Nc2ccsc2-c2ncco2)cc1 | jnk3 |
CCNC(=O)N1CCC(Nc2ncc(C#N)c(-c3c[nH]c4cc(F)ccc34)n2)CC1 | jnk3 |
CC(=O)N1CCCC(C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)C1 | jnk3 |
NC(=O)c1ccccc1Nc1ccnc(Oc2ccc(N3CCNCC3)cc2)c1 | jnk3 |
CCc1cccc2c1c(N=O)c(O)n2Cc1cc(F)cc2c1OCOC2 | jnk3 |
N#Cc1csc(NC(=O)CN2C(=O)CCc3ccccc32)c1-c1ncn[nH]1 | jnk3 |
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