smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 | 8,000 |
Nc1ncc(CO)c(C(F)F)c1I | 8,001 |
O=C(NC1CCCCC1)c1c[nH]c2ncccc12 | 8,002 |
C#CCC(NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCN(Cc2ccccc2)C1)C(=O)O | 8,003 |
O=C(CSC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 | 8,004 |
O=C(CN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O)c1ccc(Cl)cc1 | 8,005 |
CC1Oc2ccccc2N(CCC(=O)OCc2cccc(Cl)c2)C1=O | 8,006 |
C#CCCc1cc(Br)cnc1OC | 8,007 |
O=C(CC1CCCN1)NCC1(c2ccc(F)cc2)CCOCC1 | 8,008 |
COc1cccc(C2CC(C(F)(F)F)n3ncc(C(=O)Nc4cccc(O)c4)c3N2)c1 | 8,009 |
NC1CCC1Cc1cncs1 | 8,010 |
Cc1nc(Nc2ccc(C(C)C)cc2)cc(NC2CCCCC2)n1 | 8,011 |
CCN(C(=O)C(C)Sc1nccn1-c1cccc(F)c1)c1ccccc1 | 8,012 |
CC(C)(C)C(=O)CN1CCC2(CC1)Nc1ccccc1S(=O)(=O)N2 | 8,013 |
Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)C2CCCCC2)C1 | 8,014 |
CCC(=O)N(CCc1ccccc1F)Cc1cccnc1 | 8,015 |
CCCOc1c(Cl)cc(CNCCN2CCCS2(=O)=O)cc1OCC | 8,016 |
CCN(CC(=O)N1CCCCCC1)C(=O)c1ccc(N2CCCCCC2)nc1 | 8,017 |
N#CCc1nc(C(F)F)c([N+](=O)[O-])cc1F | 8,018 |
CON(C)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 | 8,019 |
CCS(=O)(=O)CCNC(=O)Nc1ccc2c(c1)OC(F)(F)O2 | 8,020 |
CN(C)C(=O)N1CCN(C(=O)c2cccc(-c3ncn[nH]3)c2)C(C)(C)C1 | 8,021 |
CCOC(=O)c1cccc(NC(=O)CCn2c(-c3ccc(OC)cc3)cc(C(=O)OCC)c2C)c1 | 8,022 |
CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)c(OC)c1 | 8,023 |
CC(C)Cc1ccc(-c2cc(CN)[nH]n2)cc1 | 8,024 |
CN(C(=O)CCCCl)C1CCS(=O)(=O)C1 | 8,025 |
COCC(N)CCS(=O)(=O)F | 8,026 |
N[C@H]1CCN(C(=O)CCc2cc(Br)cs2)C1 | 8,027 |
CC(C)N1CCN(c2ccc(C(=O)N3CCCC(n4ccnn4)CC3)cc2)CC1 | 8,028 |
Cc1ccccc1CCNC(=O)Nc1cc(O)c(O)c(O)c1 | 8,029 |
Cc1cnc(CNC(=O)c2coc(COc3cccc(F)c3F)n2)cn1 | 8,030 |
CCC(C)NC(=O)CN1C(=O)C(C(C)C)Oc2cc([N+](=O)[O-])ccc21 | 8,031 |
COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(C(=O)c3nccn3C)CC2)cc1 | 8,032 |
C=CCC(N)C(=O)Nc1ccc(Cl)nc1 | 8,033 |
CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccc(Cl)cc2)cc1 | 8,034 |
CS(=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1 | 8,035 |
CCOc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1Cl | 8,036 |
CC(C)Cn1nccc1C(=O)NCc1nc(-c2ccccn2)cs1 | 8,037 |
CC(C)c1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccccc2)cc1 | 8,038 |
CN1CCN(C)CC(C(=O)N2CCS(=O)(=O)CC2C2CC2)C1 | 8,039 |
CCCN(CCCl)S(=O)(=O)N1CCOCC1 | 8,040 |
CCC(C(=O)O)N(C)Cc1ccccc1C(F)(F)F | 8,041 |
O=C1CC(N2CCCCCC2)C(=O)N1c1cccc(Cl)c1 | 8,042 |
NC1(C(=O)NCCCNc2ccccn2)CCCCC1 | 8,043 |
COC(=O)C(N)CSCc1cc(C)nn1C | 8,044 |
OC1CC(c2cc(N3CCN(c4ccccn4)CC3)ncn2)C1 | 8,045 |
Cc1ccc(C2=C(N3CCN(C)CC3)C(=O)N(c3ccc(Br)cc3)C2=O)c(C)c1 | 8,046 |
COCCCSCC(N)c1ccc(C)cc1C | 8,047 |
O=[N+]([O-])c1cc(Cl)cnc1NCc1ccon1 | 8,048 |
CCOc1cc(C=O)c(C)c(C(N)=O)c1 | 8,049 |
CCc1nn(C)c(N2CCCC(c3nncn3C)C2)c1C#N | 8,050 |
COc1cc(OC)cc(C(=O)NCCc2ccn(C)c2)c1 | 8,051 |
O=C1COc2cc(S(=O)(=O)N3CCCCC3)c(Br)cc2N1 | 8,052 |
Cc1cnc(Nc2cccc(C3CN(S(=O)(=O)c4ccc(F)cc4C)CCO3)n2)s1 | 8,053 |
Cc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1 | 8,054 |
Cc1ccnc(NC2CCN(c3ccc(C#N)cn3)CC2)c1C#N | 8,055 |
CNc1ccccc1C(=O)N1C[C@@H](O)[C@H](N2CCOCC2)C1 | 8,056 |
CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(CCC(C)O)CC1 | 8,057 |
CCCc1nc(CN2C(=O)CCC2C(=O)O)cs1 | 8,058 |
CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC(CN2CCOCC2)C1 | 8,059 |
CCOC(=O)CCCn1cc(C)c(C=O)n1 | 8,060 |
C[C@H](N)c1ccc(OCc2ccco2)c(F)c1 | 8,061 |
Cc1cc(S(C)(=O)=O)ncc1B1OC(C)(C)C(C)(C)O1 | 8,062 |
COc1ccc(NS(=O)(=O)CCC(=O)O)cc1Cl | 8,063 |
CCCn1c(=O)c2sccc2n(CC(=O)N2CCN(c3ccccc3F)CC2)c1=O | 8,064 |
COc1ncncc1NC(=O)N1CC2(CCC2)c2ccccc21 | 8,065 |
Nc1nc(S)nc(O)c1NC=O | 8,066 |
O=C(NC1CCC2CNCC2C1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 | 8,067 |
CN(C)CCCNC(=O)N1CCC(C(N)=O)CC1 | 8,068 |
Cn1ccnc1Sc1ccc(NC(=O)C2CCNC2)cc1 | 8,069 |
CCCN(CCC)c1nc(Cl)nc2sc3c(c12)CCC(C(C)(C)C)C3 | 8,070 |
COc1nc(C)c(Cl)c(C)c1C(=O)O | 8,071 |
CC(C)/C=C/NC(=O)Nc1cc(Cl)ccc1Cl | 8,072 |
CCc1occc1C(=O)N(C)C[C@H]1OCC[C@H]1c1ncn[nH]1 | 8,073 |
O=C(C1=C(O)C(=O)N(c2cc(F)ccc2F)C1c1ccc(O)cc1)c1ccc(Br)cc1 | 8,074 |
CCOC(=O)c1cc(C)c(C#N)c(OC)c1 | 8,075 |
CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)C2CCC2)C1 | 8,076 |
CCOc1cc(C2C(c3cccc(OC)c3OC)=C(O)C(=O)N2c2ccc(Cl)cc2C)ccc1OC(C)=O | 8,077 |
CNCCCOc1cc(C)n[nH]1 | 8,078 |
Cc1nn(CC(=O)NCCNC(=O)c2cccnc2)c(C)c1[N+](=O)[O-] | 8,079 |
OC(C1=CCCCO1)c1ncc[nH]1 | 8,080 |
CC(C)(C)c1n[nH]/c(=N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n(N)c1=O | 8,081 |
Cc1cnccc1CN1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2 | 8,082 |
C#CC1(O)CCN(C(=O)NC(c2ccc(F)cc2)C2CCC2)CC1 | 8,083 |
O=S(=O)(c1ccc(Cl)s1)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 | 8,084 |
CC(=O)c1ccc(NC(=O)c2ccnc(NCCc3ccc(Cl)cc3)c2)cc1 | 8,085 |
Cc1cccc(OCCCNC(=O)N2CCCC(C(=O)O)C2)c1C | 8,086 |
O=C1CC(CC(=O)N2CCOC3(CCOC3)C2)CC(=O)N1 | 8,087 |
CC(CCNC(=O)[C@H]1CCCCN1)N(C)Cc1ccccc1 | 8,088 |
CCOC(=O)NC(=O)/C(=C/Nc1sccc1C(=O)OC)C(C)=O | 8,089 |
COc1ccccc1CN(C)C(=O)C(C)C#N | 8,090 |
CC(O)CN(C)C1CCC2(CC1)OCCO2 | 8,091 |
O=C(O)c1cnc(C(=O)NC2CCC(Cc3ccccc3)C2)cn1 | 8,092 |
COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 | 8,093 |
CCC1C(=O)N(c2ccnc(C)n2)C(=O)N1C1CC1 | 8,094 |
CN(CCc1ccncc1)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 | 8,095 |
N#CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 | 8,096 |
O=C1CC(COc2ncccn2)CN1CC1CCN(C(=O)c2ccnnc2)CC1 | 8,097 |
Cc1ccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1C | 8,098 |
Cc1ccc(-n2nc(C(=O)N3CC(O)C3)c3c2CCC3)cc1 | 8,099 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.