smiles stringlengths 7 778 |
|---|
O=C([O-])N1CC([NH2+]C2CCCc3ccccc32)C1 |
CCCN(C(=O)c1ccc(C)cc1C)C(C)C |
Cc1ccc(OCC(O)C[NH2+]CC(O)c2cccc(O)c2)cc1 |
C=C(CC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F |
CCC(C)C(NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(N)=[NH2+])NC(=O)C1CCC[NH2+]1)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O... |
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C4C5C=CC(C5)C4C(=O)[O-])cc3s2)cc1C |
CCCCc1ncc2ccccc2c1c1ccc([N+](=O)[O-])cc1 |
CC1CN(C(=O)C2CCn3c(c[nH+]c3C3CCCCC3)C2)CCS(=O)(=O)C1 |
Cc1ccc([n+]2[nH]oc(=O)c2S(=O)(=O)Nc2nc(c3c(Cl)cccc3Cl)cs2)cc1 |
COc1ccnc([N+](=O)[O-])c1Cl |
COc1cccc(F)c1c1nc(c2ncn[nH]2)no1 |
CCOC(=O)CCc1ccc(C)c2c1B(O)OC2 |
CC(O)CCCN1CCOC1=O |
CC(C)C(NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)[O-])C(=O)NCC(=O)[O-] |
Cc1cccc(C)c1OCC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 |
Cc1cc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C[NH+](CCC(C)C)CCOCCO3)n[nH]1 |
COc1cc(C2CC(=O)Nc3c2cnn3Cc2ccco2)cc2c1OCO2 |
CCCCOCc1ccc(C(=O)N(C)c2ccc(N3CCC([NH+](C)C)C3)c(F)c2)cc1 |
[NH3+]C(c1ccc(F)c(F)c1)c1ccc2ncccc2c1 |
COc1ccccc1S(=O)(=O)N1CCCC(C)(C(=O)[O-])C1 |
CN(Cc1ncc[nH]1)S(=O)(=O)c1ccc(CC(=O)[O-])s1 |
Cc1c(O)ccc(Cl)c1[N+](=O)[O-] |
CCC(NC(=O)c1c(C[NH+]2CCN(CCc3ccccc3)CC2)n(c2cccc(F)c2)c(=O)c2ccccc12)c1ccccc1 |
CC(C)COC(=O)C(O)CC(Cc1ccc(c2cc(Cl)ccc2Cl)cc1)NC(=O)c1cn(O)nn1 |
COCC1=Nc2ccnn2C(c2ccc(Cl)c(Cl)c2)C1C(=O)NCc1ccccn1 |
COc1ccc2sc(C(=O)Nc3c(Cl)cccc3Cl)c(Cl)c2c1 |
CCc1ccccc1NC(=O)NCCOc1cccc(C)c1C |
CCSCCCn1cc(S(=O)(=O)Cl)c2cc(F)ccc21 |
O=C([O-])C(CO)Nc1nc2ccccc2[nH]1 |
CON(C)C(=O)C1CC2C(CC(c3ccccc3)C1C)N(Cc1cccs1)C(=O)N2CC=C(C)CCC=C(C)C |
COc1cc(C(C)(C)C(=O)[O-])ccc1SCc1ccc(c2ccc(C(F)(F)F)cn2)cc1 |
Cc1cc(NC(=O)C(C)Nc2cccc(C)c2C)no1 |
CC(=O)c1ccc(C(C)=O)c2c1C(=O)c1ccccc1-2 |
CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2nc(c3ccccc3OC)cs2)C1=O |
CCC[NH2+]Cc1cc(S(=O)(=O)NCC(C)OC)c(C)o1 |
CCOC(=O)c1ccc(NC(=O)CC2C(=O)N(CC3CCCO3)c3nc4ccccc4n32)cc1 |
Cc1ccc(NC(=O)C2CCc3ccccc3N2C(=O)c2cn(Cc3ccccc3)nn2)cc1 |
CCOCc1cc(Br)cc(CO)c1 |
Cn1[nH]c(=O)c(=O)nc1SCc1ccc(N)cc1Br |
N#Cc1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 |
C[NH2+]CCc1ccc(COc2ccc(C)cc2Br)cc1 |
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCC1=CCCCC1 |
CSc1ccc(NC(C)=O)c2ccccc12 |
C[NH+]=C(NCCCS(=O)(=O)Cc1ccccc1)NCC1CCCO1 |
CC1(C)c2ccccc2-c2cc3c4ccccc4n(c4cccc(c5cc(c6ccccc6)cc(c6cccc(n7c8ccccc8c8cc9c(cc87)C(C)(C)c7ccccc7-9)c6)c5c5ccccc5)c4)c3cc21 |
NC(=O)CN=CC1=CCCCC1 |
CC(C)CC(C)C(C)(C)CCC(C)[NH+](C)C(C)(C)C |
CN(c1ccccc1)c1nccc(=O)[nH]1 |
CCOC(=O)CS(=O)(=O)Nc1ccc(Cl)c(O)c1 |
COc1ccc(OC)c(S(=O)(=O)NCC[NH+]2CCOC(c3ccccc3)C2)c1 |
N#Cc1cccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 |
COc1ccc(C)cc1NC(=O)CNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl |
CC(=O)CN1CCCc2cc3ccccc3nc21 |
Cc1ccc(C(=O)N2CC3COCC3(C[NH+]3CCCCC3)C2)cn1 |
CC(C)(C)[NH2+]CCOc1cc(F)ccc1Br |
Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCCCC2)c1 |
[O-][P+]1(Cc2cccc(Cl)c2)NCC2CCCCN21 |
CCC(=O)N(CC[NH3+])CC(=O)c1ccccc1Cl |
CC(Nc1cnn(CC(N)=O)c1)c1ccc2c(c1)CCC2 |
C=C(C=NCCCCCCCC)[SiH](C)C |
Cc1ccccc1C(=O)N1CCCC(C[NH2+]C(C)C)C1 |
C=CC(=O)OCCCCCCCCCCCCOC1(OCC(C)CC)C=CC(c2ccccc2)=CC1 |
O=C([O-])CC(NC(=O)CN1C(=O)C(CCc2ccc3c(n2)NCCC3)CC1Cc1ccccc1)c1cccnc1 |
CCc1cnc(CNC(NCc2ccc(OCC[NH+](CC)CC)cc2)=[NH+]C)s1 |
CC(C)C(O)CCNC(=O)CC1(O)CCCCC1 |
CSc1cccc(NC2CCc3c(F)cccc32)c1 |
O=C(NC1CCCc2ccccc21)N1CCCC1c1nccn1Cc1ccc(Cl)cc1 |
Cc1sc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n(c3ccccc3)c(=O)c2c1C |
Cc1c(S(=O)(=O)Nc2cccc(c3nn[n-]n3)c2)sc2ccc(N)cc12 |
Cc1cc2c(c(c3ccc(n4cnc(C)c4)cc3)c1)NS(=O)(=O)CC2 |
O=C(CN1N=NC2C(=O)N(c3ccc(Br)cc3)C(=O)C21)Nc1cc(C(F)(F)F)ccc1Cl |
COc1cc(C)c(CN=C=O)c(C)c1Cl |
C=C(C=O)CC1CC(O)C2(C)OC3CC4OC5CC6(C)OC7(C)CCC8OC9CC%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9CC(C)C8OC7CC6OC5CCCC4OC3CC2O1 |
CC([NH3+])c1coc(Br)n1 |
CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 |
CC(C)c1nc(Cc2ccc(NC(=O)CN(C)S(=O)(=O)c3ccc(Br)cc3)cc2)no1 |
COc1ccc2c(c1)CCCC2[NH2+]CC(=O)NC1CC1 |
O=C(CCCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=S)NNC(=O)c1cccc(Cl)c1 |
O=C1CC=CC2=C1Sc1c(c3cc(Cl)ccc3c3ccccc13)C2 |
COc1ccccc1CC[NH+]1CCC(C[NH+](C)C2CCSCC2)CC1 |
[NH3+]C(c1cc(Br)ccc1F)N1CC[NH2+]CC1 |
COCC1CCCN1C(=O)Nc1cccc(Nc2ncc(C(N)=O)c(NCc3ccccc3)n2)c1 |
CCc1c(C(=O)NCCc2ccc(C)cc2)[nH]c(C)c1C(C)=O |
COc1ccc(C(=O)OCC(=O)N2CC(C)OC(C)C2)cc1S(=O)(=O)N1CCCCCC1 |
COc1cc(C(=O)NC2CC[NH+](C)CC2)ccc1Nc1ncc(C(F)(F)F)c(NC2CCCCC2=CNC(=O)C2CCCC2)n1 |
O=C([O-])CC1CN(c2nccc(C(F)(F)F)n2)C1 |
O=C([O-])CC(C[NH2+]CCCS(=O)(=O)[O-])C(=O)[O-] |
CCOCC1CCC2(C)OC2C1 |
CC1CCCC(CC[NH2+]Cc2ccc(O)c(F)c2)C1 |
N#CSc1ccc(NC(=O)c2nccs2)cc1 |
CC[NH2+]C(c1cncc(C)c1)C1C2CCCC21 |
COC(=O)CC(=O)CCC1=CC(OC(C)=O)CCC1 |
Cc1ccc(C(C)NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c(C)c1 |
CC(C)Oc1ccccc1Nc1cnnc(Nc2cccc(Cl)c2)n1 |
COc1ccccc1NC(=O)c1sc2nc(c3ccc(OC)c(OC)c3)[nH]c(=O)c2c1C |
[NH3+]CC1CCN(C(=O)CSC2CC2)CC1 |
CCCCCCCN1CC(c2ccc(OC)c3oc4cnccc4c23)CC1=O |
CCCCCCCCC#Cc1ccccc1NC(=O)OCC |
CCCCCNc1nccc(N2CC[NH+](Cc3ccccc3)CC2)n1 |
CS(=O)(=O)c1cccc2[nH]c(c3cccc(O)c3O)nc12 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.