smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CC1CC(C(=O)O)CN(Cc2ncc(Br)cc2Br)C1 | 11,000 |
CC(=CC(=O)NCC1(O)CCOCC1)c1cccc(C(F)(F)F)c1 | 11,001 |
Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)N[C@H]1CC[C@H](C)CC1 | 11,002 |
CCOc1cccc(NC(=O)NCC2CC2)n1 | 11,003 |
O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(-c2ccccc2)cc1 | 11,004 |
O=C(O)c1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1F | 11,005 |
CC(C)=CCC1(C#N)CCOC1 | 11,006 |
Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c(C)c1 | 11,007 |
O=C(CCSc1nnc(NC2CCCCC2)s1)NCc1ccccc1Cl | 11,008 |
CC1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)c(Cl)c1 | 11,009 |
CC1CN(C(=O)C2(c3ccccc3)CC2)CC(C)N1 | 11,010 |
COc1ccc(/C(C)=N/NC(=O)c2cc(Cl)ccc2OC)cc1OC | 11,011 |
CC(=O)N1CCCCCCCN(CC(=O)N2C3CCC2CC(O)C3)Cc2ccccc21 | 11,012 |
O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 | 11,013 |
CCOc1cc(NC2(CO)CCCC2)ccc1N | 11,014 |
CC(C)(C(=O)N1CC(C(=O)O)C1)c1ccccc1 | 11,015 |
CCN(C)c1ccc(C(=O)NCCn2nc3ccccn3c2=O)cc1 | 11,016 |
CC(C)c1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2cccs2)C3)cc1 | 11,017 |
CCC(C(=O)OC)C(=O)N1CC(Cc2cnn(C)c2)C1 | 11,018 |
CCCC[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H](C(C)C)O1 | 11,019 |
CCN1CCN(CC(=O)NC(C)c2nncn2C(C)C)CC1 | 11,020 |
NC1CCCN1S(=O)C1CCCC1 | 11,021 |
N#CC1(NC2CC2)CCCC2CC21 | 11,022 |
CC(NCC(O)c1cc2ccccc2s1)c1ccc(C(F)F)nc1 | 11,023 |
CCC1CC(Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)CCO1 | 11,024 |
COCC1(Cn2cc(C=O)nn2)CCC1 | 11,025 |
CCC(C#N)S(=O)(=O)Nc1ccc(C)c(Br)c1 | 11,026 |
OCC(Cc1ccccc1)Nc1cncc(-n2cccn2)n1 | 11,027 |
COc1ccc2nc(N(CCN3CCOCC3)C(=O)CSc3ccc(C)cc3)sc2c1 | 11,028 |
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)c1 | 11,029 |
O=C(Nc1ccccc1)c1nnc(CNC(=O)c2c(F)cccc2F)s1 | 11,030 |
CCCC(N)CCc1ccccc1[N+](=O)[O-] | 11,031 |
CCNC(=O)CCOc1cccc(C)c1N | 11,032 |
C#CCOC(=O)c1cc(Cl)c2[nH]c(-c3cccc(Br)c3)nc2c1 | 11,033 |
Cc1ccc2c(C(=O)NCc3n[nH]c4c3CCC4)cnn2c1C | 11,034 |
CCC(C)NC(=O)/C(C#N)=C\NC(C)C | 11,035 |
Cc1ccc(S(=O)(=O)c2c(NC(=O)c3ccc(Br)o3)n(C(C)c3ccccc3)c3nc4ccccc4nc23)cc1 | 11,036 |
Cc1ccc(CNc2nc3[nH]c(C)c(CCC(=O)N4CCc5ccccc5C4)c(=O)n3n2)cc1 | 11,037 |
CC(C)Cc1cc(CNc2cncc(C(=O)N3CCOCC3)n2)on1 | 11,038 |
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C\Nc1ccccc1Br | 11,039 |
Cc1nn(C)c(C)c1C=NNC=O | 11,040 |
c1nnc(CN2CCNCC2)n1C1CCCC1 | 11,041 |
COc1cc(NC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)cc(OC)c1 | 11,042 |
CS(=O)(=O)N1CCC(NC(=O)CC2C=CCC2)CC1 | 11,043 |
COc1ccccc1NC1=C(SCc2ccco2)C(=O)N(c2ccc(F)c(F)c2F)C1=O | 11,044 |
CCN(C)c1ccc2nnnn2n1 | 11,045 |
O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1 | 11,046 |
C[C@H]1CC[C@H](NC(=O)NCC2CC(=O)N(C3CC3)C2)CC1 | 11,047 |
CNC(=O)C(C)NCC(=O)Nc1ccccc1C | 11,048 |
O=C(N1CC(c2cc[nH]n2)C1)[C@@]12COC[C@@H]1C2 | 11,049 |
Cc1ccc2c(CC(=O)NC3CCN(C)C(C)C3)coc2c1C | 11,050 |
COc1cc(CC2CO2)cc(OC)c1 | 11,051 |
COCC1(C(=O)O)CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)C1 | 11,052 |
CC(C)(C)NCCN1CCCC1C1CCCC1 | 11,053 |
COc1cc(F)c(C(=O)CCl)cc1C | 11,054 |
CC(N/C=C(/C#N)C(=O)Nc1ccccc1O)C(=O)O | 11,055 |
COc1ccccc1C(C)N(C)C(=O)CN1CCNCC1c1cccc(F)c1 | 11,056 |
CN(CCC1CCCCN1C)C(=O)c1ccc(F)c(O)c1F | 11,057 |
CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CN(C)CC[C@H]3C2)cc1 | 11,058 |
Cc1ccccc1OC(=O)C(CC(C)C)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O | 11,059 |
Cc1csc(NCCNC(=O)c2cnn(C)c2)n1 | 11,060 |
CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C2=O)cc1 | 11,061 |
CC(NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C1CCCO1 | 11,062 |
Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nc(N2CCCCC2)n1 | 11,063 |
CCN(CC(C)CN)C(=O)c1cnn(C)c1 | 11,064 |
Cc1nn(CC(=O)N2CCC(O)CC23CCC3)c2ncccc12 | 11,065 |
COc1ccc(CCN(C)Cc2nnc(C)s2)cc1OC | 11,066 |
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)C(Nc3ccc(C)cc3)=C(Sc3nc(C)cc(C)n3)C2=O)cc1 | 11,067 |
Cc1cccc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)c1 | 11,068 |
CC1CN(S(=O)(=O)CCC(F)(F)F)CC(C)(C)C1 | 11,069 |
CN(C)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 | 11,070 |
CN(Cc1ccc(Br)cc1)c1ncccc1N | 11,071 |
Cc1nccc(NC(C)(C)CCC(=O)O)n1 | 11,072 |
CCCC(NC1CC(=O)N(C(C)C)C1)c1cccnc1 | 11,073 |
Cc1ccc(CCc2noc(N)c2C)cc1 | 11,074 |
Cc1ccc2c(c1)C(NC(C)c1nccnc1C)C(C)C2 | 11,075 |
Cc1ccc2nnc(CNC(=O)CCc3ccsc3)n2c1 | 11,076 |
CN(Cc1ccon1)C(=O)CC1c2ccccc2CCc2ccccc21 | 11,077 |
Cc1ccccc1CNc1nnc(C(F)(F)F)s1 | 11,078 |
COc1ccc(Cl)cc1NC(=O)CS(=O)CC(=O)NCc1ccccc1 | 11,079 |
Cc1cc(C(=O)O)c(-c2cccc(F)c2)n1C1CC1 | 11,080 |
Cc1ccc(C(=O)CC(C(=O)NCc2ccccc2C)n2nc(C)cc2C)cc1 | 11,081 |
CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C)cc2)sc(C)c1C | 11,082 |
O=C(c1ccc(-n2cnnn2)cc1)N1CCCC(n2ccnc2)C1 | 11,083 |
CCNc1ncc(S(=O)(=O)NC(C)C)cc1Cl | 11,084 |
COc1ccc(C(=O)NC2CCc3[nH]ncc3C2)c(OCC(C)C)c1 | 11,085 |
COc1c(I)ccc(Br)c1N | 11,086 |
Fc1ccc(-c2n[nH]cc2CN2CCc3nnc(CCc4ccccc4)n3CC2)cc1 | 11,087 |
CC(CNCc1ccc(C#N)s1)c1ccccc1 | 11,088 |
O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccnc1 | 11,089 |
CC(CN)C(=O)NCc1ccc(Oc2ccccc2)nc1 | 11,090 |
CCOc1ccc(S(=O)(=O)Nc2cc(C3CCCO3)no2)cc1 | 11,091 |
CCCCN(CC(N)=O)S(=O)(=O)c1cc(N)cs1 | 11,092 |
C#CC(=O)N1CCCC(C)(CO)C1 | 11,093 |
N#CCC(=O)Nc1cccc(-c2cncnc2)c1 | 11,094 |
CC(C)(C)c1cc(NC(=O)NCc2ccco2)no1 | 11,095 |
CNC[C@@H]1CCCCN1C(=O)C1CC12CCCNC2 | 11,096 |
CC(C(=O)c1ccccc1)C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 | 11,097 |
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cn(C2CCNCC2)nn1 | 11,098 |
CC1CN(Cc2cc(Cl)cc(Cl)c2)CCC1N | 11,099 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.