SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)CCCC(C)C)c2)[nH]1 | jnk3 |
N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCOCC2)c1 | jnk3 |
NC(=O)[C@@H](NC(=O)C1C=C(c2[nH]ncc2-c2cccc(Cl)c2)C=N1)c1ccccc1 | jnk3 |
COc1cccc(NC(=O)Nc2nnc(-c3ccncc3)s2)c1 | jnk3 |
Oc1nnc(-c2ccnc(NC3CCCOC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(O[C@H](C)C(F)(F)F)nncc2c1 | jnk3 |
COC(=O)c1ccsc1NC(=O)C1=COCCO1 | jnk3 |
COc1cc2c(cc1OC)C(c1ccc(Cl)c(Cl)c1)=NCC2 | jnk3 |
c1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(NC(=O)c4ccccn4)c3c2)cc1 | jnk3 |
COc1cc(Nc2ncc(Cl)c(Nc3ccccc3C(N)=O)n2)ccc1N1CCOCC1 | jnk3 |
C#CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 | jnk3 |
CNCC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 | jnk3 |
Oc1onc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1-c1ccc(F)cc1 | jnk3 |
COC(=O)c1c(C)csc1NC(=O)Cc1ccc(-c2ccncc2)cc1 | jnk3 |
O=Nc1c(O)n(Cc2cc(F)cc3c2OCOC3)c2cccc(-c3cccc(F)c3)c12 | jnk3 |
c1ccc2cc(-c3n[nH]cc3-c3ccncc3)ccc2c1 | jnk3 |
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1 | jnk3 |
Fc1ccc(-c2c(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)c3)noc2NCc2ccccc2)cc1 | jnk3 |
O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Cl)c1-c1ncn[nH]1 | jnk3 |
COc1ccc2c(c1)nc(-c1ccc3ccccc3c1)n2-c1ccnc(NC2CCCCC2)n1 | jnk3 |
COc1cc2c(cc1Cl)C(c1cccc(F)c1)=NCC2 | jnk3 |
O=C(NCc1ccccc1)c1cc(-c2n[nH]cc2-c2cccc(Cl)c2)c[nH]1 | jnk3 |
CCc1ccc(C(=O)Nc2cccc(C)c2N2CCC3(CC2)OCCO3)o1 | jnk3 |
COc1cc(Cn2c(O)c(N=O)c3cc(F)ccc32)cc(OC)c1 | jnk3 |
COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5)ccc43)c2)cc(OC)c1OC | jnk3 |
Cc1ccc(NC(=O)CCCCCC2NC(=O)NC2C)cc1 | jnk3 |
CCOc1ccc(Oc2cc(Nc3ccccc3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1 | jnk3 |
O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)C1=Nc1ccccc1 | jnk3 |
Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](Cn2ccnc2)CC3)cc1 | jnk3 |
NC(=O)c1ccccc1Nc1ccnc(Nc2ccc(-n3ccnn3)cc2)c1 | jnk3 |
O=C(Nc1cccc(Cl)c1N1CCN(CCc2ccccc2)CC1)c1ccc(Br)o1 | jnk3 |
NC(=O)c1ccccc1Nc1cc(Oc2ccc(F)cc2)ncc1C(F)(F)F | jnk3 |
COc1ccc(CNC(=O)C2C=C(c3[nH]ncc3-c3cccc(Cl)c3)C=N2)cc1 | jnk3 |
Cn1cnc(CCNc2nccc(C(C#N)c3nc4ccccc4s3)n2)c1 | jnk3 |
O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1 | jnk3 |
CS(=O)(=O)Nc1ccc(-c2cnc3cccc(-c4cccnc4)c3c2)cc1 | jnk3 |
CNc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 | jnk3 |
COC(=O)c1cccc(NC(=O)CN2CCC(NC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c1 | jnk3 |
CCCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 | jnk3 |
CC(=O)N1CCCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)C1 | jnk3 |
CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1 | jnk3 |
N#Cc1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 | jnk3 |
COc1cc(Cn2c(O)c(N=O)c3ccccc32)cc(OC)c1 | jnk3 |
Fc1ccc(-c2n[nH]cc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cc1 | jnk3 |
N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCN2Cc1cccnc1 | jnk3 |
Clc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1cc[nH]n1 | jnk3 |
c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(-c3cnoc3)cc2n1 | jnk3 |
O=C(NC(CO)c1ccc(C(F)(F)F)cc1)C1C=C(c2[nH]ncc2-c2cccc(Cl)c2)C=N1 | jnk3 |
C[C@H](Nc1cc(-c2nnc(O)n2-c2ccc3ccccc3c2)ccn1)c1ccccc1 | jnk3 |
O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 | jnk3 |
O=C(Cc1cccc2cnccc12)Nc1scnc1-c1cnccn1 | jnk3 |
COc1cc2c(cc1Cl)C(c1cccc(C)c1)=NCC2 | jnk3 |
COC(=O)c1ccccc1NC(O)c1cc(-c2ccc(F)cc2)no1 | jnk3 |
Oc1nnc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cccc(F)c2c1 | jnk3 |
COC(=O)c1cc(Br)c(=O)n(Cc2ccc3c(c2)OCO3)c1 | jnk3 |
c1cncc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)c1 | jnk3 |
COc1ccc(Oc2cc(Nc3cc(OC)ccc3C(N)=O)c(C(F)(F)F)cn2)cc1 | jnk3 |
COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCCCC2)c1 | jnk3 |
Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4ncc3c2n(C)c1=O | jnk3 |
C=CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc[nH]2)CC1 | jnk3 |
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1 | jnk3 |
Cc1ccc(-c2cccc3cnc(Nc4ccc(F)cc4)nc23)cn1 | jnk3 |
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5n[nH]cc45)nc(N4CCOCC4)c3s2)CC1 | jnk3 |
Cc1ncn(-c2ccc(Nc3nccc(-c4cc(C#N)cc(N5CCOCC5)c4)n3)cc2)n1 | jnk3 |
Cc1ncn(-c2ccc(Nc3nccc(-c4cc[nH]n4)n3)cc2)n1 | jnk3 |
Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(Cl)cn3)cc2)n1 | jnk3 |
COc1ccc(CC(=O)Nc2ccsc2-n2nccn2)cc1 | jnk3 |
NS(=O)(=O)c1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1 | jnk3 |
Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4c[nH]nc4C)ccn3)cc2)n1 | jnk3 |
NC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC3=O)cc2)ncc1Cl | jnk3 |
Cc1ncn(-c2ccc(Nc3nccc(-c4ccn(C)n4)n3)cc2)n1 | jnk3 |
O=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ncn[nH]1 | jnk3 |
Cc1ccc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2)cn1 | jnk3 |
CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 | jnk3 |
Cc1ccc(-c2ncn(-c3ccc(Nc4cc(-c5ccn(C)n5)c(Cl)cn4)cc3)n2)cn1 | jnk3 |
O=C(O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1 | jnk3 |
CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@@H](COCc2ccc(OC)cc2)CC3)n1 | jnk3 |
Sc1nnc(-c2ccnc(NCC3CC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccccn2)n1 | jnk3 |
O=C(NCc1ccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)s1)c1ccc(Cl)cc1 | jnk3 |
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(S(=O)(=O)NC(C)(C)C)c1 | jnk3 |
CCNC(=O)N1CCC(Nc2nccc(-c3c(-c4ccccc4)[nH]c4ccccc34)n2)CC1 | jnk3 |
O=C(Cc1cccc2cnccc12)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
COC(=O)c1cccc2c1-c1ccccc1/C2=N/O | jnk3 |
CS(=O)(O)=Nc1ccc2c(N=O)c(O)n(Cc3cc(F)cc4c3OCOC4)c2c1 | jnk3 |
C=Cc1cccc2c1c(N=O)c(O)n2Cc1cc(F)cc2c1OCOC2 | jnk3 |
O=C(Cn1c(=O)ccc2ccc(C(F)(F)F)cc21)Nc1scc(Br)c1-c1ncn[nH]1 | jnk3 |
Cn1cc(-c2ccc3cnc(Nc4ccc(-n5cnc(N6CCOCC6)n5)cc4)nc3c2-c2cnn(C)c2)cn1 | jnk3 |
COc1ccccc1Nc1ccc2c(-c3ccccc3)n[nH]c2c1 | jnk3 |
O=C(NCCN1CCOCC1)c1ccnc(-n2ncc3cc(Nc4ccccc4Cl)ccc32)c1 | jnk3 |
CCOC(=O)N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1 | jnk3 |
Cc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3C)c2)ccn1 | jnk3 |
COc1ccc(CC(=O)Nc2ccsc2-c2nc(C(F)(F)F)n[nH]2)cc1 | jnk3 |
Oc1nnc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
c1ccc2cc(-n3cnnc3-c3ccncc3)ccc2c1 | jnk3 |
O=c1n(-c2ccccn2)nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2ccccc2c1 | jnk3 |
O=C(Cc1ccc(C(F)(F)F)c2ncccc12)Nc1scc(Cl)c1-c1ncn[nH]1 | jnk3 |
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