SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
CN1CCC[C@@H](C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)NCc1ccccc1 | parp1 |
O=C1NCCn2c(-c3cccc(Cn4cccc4)c3)cc3cccc1c32 | parp1 |
O=C(Nc1cccc(Cc2nnc(O)c3ccccc23)c1)C(F)(F)F | parp1 |
O=C1C=CC(=O)N1c1cccc(Cc2nnc(O)c3ccccc23)c1 | parp1 |
CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 | parp1 |
O=C(CBr)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCN1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccccn1 | parp1 |
Cc1c(CC(=O)N2CCc3cccc4c3C2CNC4=O)sc2ccccc12 | parp1 |
O=C(NCCN1CCOCC1)c1ccc2c(c1)nc(O)c1cc(F)ccc12 | parp1 |
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(COc3ccc(F)cc3C(N)=O)ccc2F)CC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(C2CCCCC2)CC1 | parp1 |
CC(C)NCc1ccc2c(c1)[nH]c(=O)c1cccn12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)OCc1ccccc1 | parp1 |
Cn1cc(CCC(=O)N2CCc3cccc4c3C2CNC4=O)cn1 | parp1 |
CC1(C)C=C(c2nc3c(C(N)=O)cccc3[nH]2)CC(C)(C)N1 | parp1 |
O=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cc3nnc(O)c4ccccc34)c2)CC1 | parp1 |
COc1ccc(-c2ccc(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CSCC4)cc2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(Br)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2ccncc2)cc1 | parp1 |
NC(=O)c1cccc2[nH]c(C3CN(C4CCCC4)C3)nc12 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1 | parp1 |
O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12 | parp1 |
COc1cc2c(cc1OC)CN(C(=O)C1CCN(C(=O)c3cccc(Cc4nnc(O)c5ccccc45)c3)CC1)CC2 | parp1 |
NC(=O)c1cccc2[nH]c([C@@H]3CCC(=O)N3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4noc(=O)[nH]4)cc3)nc12 | parp1 |
Oc1nc2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccc(OCc2ccccc2)cc1 | parp1 |
CN(CC1CCOC1)C(C)(C)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
O=C1NC(=O)c2c1c1c(c3[nH]c4ccc(-c5csc(CNC6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)n5)cc4c23)CCC1 | parp1 |
CN1CCC[C@H]1C(=O)Nc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(CN4CCOCC4)cc3)nc12 | parp1 |
N#Cc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4 | parp1 |
NC(=O)c1ccccc1OCc1cccc(C(=O)N2CCNCC2)c1 | parp1 |
NC(=O)c1cccc2[nH]c(C3(N)CCc4ccccc4C3)nc12 | parp1 |
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(Cc2ccccc2)CC1 | parp1 |
CS(=O)(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 | parp1 |
CN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1CNC1 | parp1 |
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cc(CCOc3ccccc3C(N)=O)ccc2F)CC1 | parp1 |
CN(C1CCC1)C(C)(C)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
CCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 | parp1 |
Oc1nc2c(c3ccc(F)cc13)CNCC2 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 | parp1 |
COc1ccc(N2CCN(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CSCC4)CC2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2cccnn2)CC1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)N1CCN(c2ncccn2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnn[nH]4)cc3)nc12 | parp1 |
CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 | parp1 |
O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=NC2CCCCC12 | parp1 |
O=C(NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)OCc1ccccc1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCCC4)cc3)nc12 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCCN4CCCC4)cc3)nc12 | parp1 |
CN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCCNCC4)cc3)nc12 | parp1 |
CN1CCN(c2ccc(N3Cc4cccc(C(N)=O)c4C3=O)cc2)CC1 | parp1 |
O=C1NCCc2c(C(c3ccccc3)c3ccccc3)[nH]c3cccc1c23 | parp1 |
O=c1[nH]c2cc(CNCCCN3CCOCC3)ccc2n2cccc12 | parp1 |
O=C(c1ccc2c(c1)[nH]c(=O)c1cccn12)N1CCCC1 | parp1 |
Oc1nc2cc(CN3CCOCC3)ccc2c2ccccc12 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1 | parp1 |
O=C(CCN1CCCCC1)N1CCc2nc(O)c3cc(F)ccc3c2C1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cccnn2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cncnc2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)c1ccc2ccccc2c1 | parp1 |
NC(=O)c1cccc2[nH]c(C3(N)CCC3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(C3(N)CC3)nc12 | parp1 |
CCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 | parp1 |
CCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2ccnnc2)cc1 | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCNCC3)c21 | parp1 |
O=c1[nH]c2ccc(CNC3CC3)cc2n2cccc12 | parp1 |
Nc1ccc2c3c(cccc13)C(=O)NC2=O | parp1 |
NC(=O)c1cccc2[nH]c(C3CNCCN3)nc12 | parp1 |
O=C1NCCn2c(CCc3ccccc3)nc3cccc1c32 | parp1 |
Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(Cc2nnc(O)c3ccccc23)c1 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12 | parp1 |
O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32 | parp1 |
Cc1sc(-c2ccccc2)nc1C(=O)Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1 | parp1 |
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCNCC3)c21 | parp1 |
CN(C)CC(=O)Nc1ccc2c(c1)Cc1c-2nc(O)c2ccccc12 | parp1 |
O=c1[nH]c2ccc(OC3CCN(CCO)CC3)cc2c2c1CSCC2 | parp1 |
Cc1cccc2c(=O)[nH]c(CCN3CCC[C@@H]3CO)cc12 | parp1 |
O=c1[nH]c2ccc(CN3CCCC3)cc2n2cccc12 | parp1 |
Cc1nn(C)c2[nH]c(=O)c3c(c12)CCC3 | parp1 |
Oc1nc2c(c3ccccc13)CCNC2 | parp1 |
O=S(=O)(NCCN1CCCCC1)c1ccc2nc(O)c3ccccc3c2c1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(OC(=O)c2ccccc2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(Oc2ccccc2)cc1 | parp1 |
COc1cc(-c2cc3[nH]c(=O)c4ccccc4n3n2)cc(OC)c1OC | parp1 |
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCOCC4)cc3)nc12 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C(=O)Nc4ccncc4)cc3)nc12 | parp1 |
O=C([C@@H]1CCCN1)N1CCc2c(nc(O)c3ccccc23)C1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCOCC4)c3)nc12 | parp1 |
O=c1[nH]c2ccc(CN3CCCCC3)cc2n2cccc12 | parp1 |
CN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1 | parp1 |
O=C(CCN1CCC(N2CCCC2)CC1)N1CCc2nc(O)c3cc(F)ccc3c2C1 | parp1 |
NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CCNCC3)cc1)C2 | parp1 |
NC(=O)c1cccc2c1C(=O)N(C1CCNCC1)C2 | parp1 |
Oc1nc(CCCN2CC=C(c3ccc(-c4ccccc4)cc3)CC2)nc2ccccc12 | parp1 |
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