SMILES stringlengths 11 220 | Source stringclasses 16
values |
|---|---|
O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F | parp1 |
O=C1NCCn2c(-c3ccccc3)nc3cccc1c32 | parp1 |
Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCC4(CCNC4)CC3)c2)n[nH]c(=O)c1C | parp1 |
NC(=O)c1cccc2cn(-c3ccc(CN4CCCC4)cc3)nc12 | parp1 |
O=C1NCCn2c(-c3cccc4ccccc34)nc3cccc1c32 | parp1 |
O=C1C2CC2C(=O)N1c1cc(Cc2nnc(O)c3ccccc23)ccc1F | parp1 |
O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCCN(CC2CC2)CC1 | parp1 |
O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCCN(C2CCCCC2)CC1 | parp1 |
CCCN1CCCN(C(=O)c2cc(Cc3nnc(O)c4ccccc34)ccc2F)CC1 | parp1 |
O=C1NCCc2c(-c3ccc(F)cc3)[nH]c3cccc1c23 | parp1 |
CN(C)Cc1ccc(-c2[nH]c3cccc4c3c2CNC4=O)cc1 | parp1 |
O=C1NCCc2c(-c3cccs3)[nH]c3cccc1c23 | parp1 |
O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23 | parp1 |
CC(Oc1ccccc1)C(=O)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccc2)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1 | parp1 |
O=c1[nH]c2cc(CN3CCCC3)ccc2n2cccc12 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCN(C4CCCC4)CC3)nc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccc(Cl)cc1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nsc(=O)[nH]4)cc3)nc12 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC(N2CCCC2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc4c(c3)OCO4)nc12 | parp1 |
COc1ccc(CN(C)c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCC4)cc3)nc12 | parp1 |
N#Cc1ccc(C2=CCN(CCCc3nc(O)c4ccccc4n3)CC2)cc1 | parp1 |
O=C(c1cccc(Cc2nnc(O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 | parp1 |
O=C1NCCc2c(-c3ccc(Cn4cccc4)cc3)[nH]c3cccc1c23 | parp1 |
O=C(c1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)N2CCOCC2)CC1 | parp1 |
CC1(c2nc3c(C(N)=O)cccc3[nH]2)CCCN1C1CCC1 | parp1 |
Cc1csc(CC(=O)N2CCc3cccc4c3C2CNC4=O)n1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCCCC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCCCN2)CC1 | parp1 |
O=C1CC(c2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F | parp1 |
O=C1NCCn2c(-c3ccc(Cn4cccc4)cc3)cc3cccc1c32 | parp1 |
Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3 | parp1 |
O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCCCC4)cc3)nc12 | parp1 |
Cn1nc(-c2ccccc2)c2c1NC(=O)C1CCCCC21 | parp1 |
COc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(Cc4nnc(O)c5ccccc45)c3)CC2)cc1 | parp1 |
COc1cccc(CCC(=O)N2CCCN(C(=O)c3cccc(Cc4nnc(O)c5ccccc45)c3)CC2)c1 | parp1 |
CC1CCN(C(=O)C2CCN(C(=O)c3cccc(Cc4nnc(O)c5ccccc45)c3)CC2)CC1 | parp1 |
O=C(c1cccc(Cc2nnc(O)c3ccccc23)c1)N1CCc2ccccc2C1 | parp1 |
O=C(c1cccc(Cc2nnc(O)c3ccccc23)c1)N1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 | parp1 |
O=C(NCCc1cccs1)C1CCN(C(=O)c2cccc(Cc3nnc(O)c4ccccc34)c2)CC1 | parp1 |
O=C1NCCc2c(-c3ccc[nH]3)[nH]c3cccc1c23 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C(=O)N2CCOCC2)CC1 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CCN2)CC1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc2ccccc2c1 | parp1 |
CN1CCN(Cc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)CC1 | parp1 |
O=c1[nH]c(C2=C[C@@H](N3CCC(c4ccccc4)CC3)CC2)nc2c(Cl)cccc12 | parp1 |
O=C1NC(CCCN2CC=C(c3ccccc3)CC2)=NC2CCSCC12 | parp1 |
COc1cc(C(=O)N2CCCN(C(=O)c3cccc(Cc4nnc(O)c5ccccc45)c3)CC2)cc(Cl)n1 | parp1 |
CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2cccc(Cc3nnc(O)c4ccccc34)c2)CC1 | parp1 |
CCC(C)CN(C)C(=O)C1CCN(C(=O)c2cccc(Cc3nnc(O)c4ccccc34)c2)CC1 | parp1 |
O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23 | parp1 |
CC(C)(NCCc1ccccc1)c1nc2c(C(N)=O)cccc2[nH]1 | parp1 |
O=c1[nH]c2cc(CN3CCCCC3)ccc2n2cccc12 | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCC2(CC1)NCNC2=O | parp1 |
Oc1nccc2ccccc12 | parp1 |
O=C(CCCN1CCOCC1)Nc1ccc2c(c1)Cc1c-2nc(O)c2ccccc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Oc1ccccc1 | parp1 |
CN(C)C(=O)CCC(=O)N1CCc2cccc3c2C1CNC3=O | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C4CCNCC4)cc3)nc12 | parp1 |
CCc1cc2cc(C(CCN3CCCCC3)Cc3ccc4c(c3)OCCO4)ccc2[nH]c1=O | parp1 |
O=C1NCCn2cc(/C=N/O)c3cccc1c32 | parp1 |
CN1CC(=O)N(c2cc(Cc3nnc(O)c4ccccc34)ccc2F)C(=O)C1 | parp1 |
CC1(C)CC(=O)N(c2cc(Cc3nnc(O)c4ccccc34)ccc2F)C1=O | parp1 |
CN1CCN(Cc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)CC1 | parp1 |
O=c1[nH]c(NCCN2CCN(c3n[nH]c4ccccc34)CC2)nc2ccccc12 | parp1 |
COc1ccc(-n2cc(C(=O)Nc3cccc(Cc4nnc(O)c5ccccc45)c3)c(C)n2)cc1 | parp1 |
O=S(=O)(O)c1ccc2c(c1)nc(O)c1cc(F)ccc12 | parp1 |
COc1[nH]c2cccc3c2c1CCNC3=O | parp1 |
O=C(Nc1ccccc1)c1[nH]c2cccc3c2c1CCNC3=O | parp1 |
CN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4n3n2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccno4)cc3)nc12 | parp1 |
CN1CCC(C(=O)Nc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(NC(=O)CN4CCCC4)cc3)nc12 | parp1 |
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCc4ccncc4)cc3)nc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Cc1ccncc1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCC4)c3)nc12 | parp1 |
NC(=O)c1cccc2[nH]c(C3CCCNC3)nc12 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCCC1 | parp1 |
O=C1NCC2c3c(cccc31)CCN2C(=O)CN1CCN(c2ccccc2)CC1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCCCC4)c3)nc12 | parp1 |
Oc1nc(CCCN2CCC3=C(CCc4ccccc43)C2)nc2ccccc12 | parp1 |
Oc1nc(CCCN2CC=C(c3ccc(-[n+]4ccccc4)cc3)CC2)nc2ccccc12 | parp1 |
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(Cc3nnc(O)c4ccccc34)c2)CC1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(-c2cccnc2)cc1 | parp1 |
O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1ccc(N2CCCC2)cc1 | parp1 |
NC(=O)c1cccc2[nH]c(-c3ccc(CN4CCOCC4)cc3)nc12 | parp1 |
NC(=O)c1cc(F)ccc1OCc1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c1 | parp1 |
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C(=O)C2CC2)CC1 | parp1 |
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(C)CCCCN4)CC3)c2)n[nH]c(=O)c1C | parp1 |
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cccnc2)CC1 | parp1 |
Cc1cccc2c(=O)[nH]c(C3=CC(N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc12 | parp1 |
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