smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CC(=O)N(C(=O)/C(C#N)=C\N1CCN(S(C)(=O)=O)CC1)c1ccc(N)cc1 | 3,900 |
O=C(N[C@@H]1C[C@@H](O)[C@@H](O)C1)c1ccco1 | 3,901 |
CC(C)(C)[C@H]1CC[C@](C)(C(=O)O)CC1 | 3,902 |
Cc1ccc(C(=O)NC(C)CC(N)=O)c(N)c1 | 3,903 |
Cc1cc(O)c(/C=N/c2ccc(Cl)c(Cl)c2)c(C)c1Cl | 3,904 |
COc1ccc(OCC(=O)n2c(=O)oc3ccc(C)cc32)cc1 | 3,905 |
CC(O)(CNC(=O)c1nonc1N)CC(=O)O | 3,906 |
CC(C)(C)NC(=O)CNCc1ccncc1Cl | 3,907 |
O=C(O)[C@H]1CCCN(C(=O)C2CCOC2)C1 | 3,908 |
CN(C(=O)CCn1cnc2ccccc21)c1ccccc1 | 3,909 |
CCN(c1ccccc1)c1nncc(N2CCc3ccccc32)n1 | 3,910 |
Cc1cscc1CNCC1(N)CCOC1 | 3,911 |
Cc1cc(Br)c(CN2CCC(F)(CO)C2)cc1Cl | 3,912 |
COc1ccc(CC(=O)NCc2nnc3ccccn23)cc1 | 3,913 |
CCNCc1cnc(C2CCC(C)(C)CC2)nc1 | 3,914 |
Cc1ccc(NC(=O)c2c(C)oc3ncn(C)c(=O)c23)c(Cl)c1 | 3,915 |
N#Cc1ccc(-c2ccccn2)nc1Cl | 3,916 |
CCC(CC)N(CCO)Cc1ccc(F)c(Br)c1 | 3,917 |
NCC(NC(=O)C1(c2ccccc2)CCCC1)C1CC1 | 3,918 |
COc1ccccc1/C=C/C=C1\N=C(c2ccc(-c3ccccc3)cc2)OC1=O | 3,919 |
Cc1cc(C(=O)N2CCCC(NC(C)C)C2)ccc1Cl | 3,920 |
CCCCOc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1 | 3,921 |
Cc1nnc(-c2cccc(NC(=O)C3CCCCN3C(=O)c3cnccn3)c2)s1 | 3,922 |
CNCCc1ccccc1C(=O)NCc1ccccc1OC(F)F | 3,923 |
COc1ccccc1N1C(=O)C(Nc2ccc(N(C)C)cc2)=C(Sc2nc(C)cc(C)n2)C1=O | 3,924 |
CC(C)(C)c1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2coc3ccc(F)cc3c2=O)cc1 | 3,925 |
N#Cc1ccccc1N(C(=O)CN1C(=O)C2C3C=CC(C3)C2C1=O)C1CCC1 | 3,926 |
COCCN1CCN(CC(=O)NCc2ccco2)CC1 | 3,927 |
COCCC(C)NCc1cc2ccccc2o1 | 3,928 |
CC(NC(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1)C(F)F | 3,929 |
O=C(CCl)c1cc(C(F)(F)F)c(C(F)F)cc1C(F)(F)F | 3,930 |
Nc1c(OC(F)(F)F)ccc(F)c1C(O)C(=O)O | 3,931 |
Nc1c(C(=O)NC2CC(N3CCOCC3)C2)sc2ncccc12 | 3,932 |
CCc1ccc(N2C(=O)C(Cl)=C(N3CCCC(CO)C3)C2=O)cc1 | 3,933 |
CC1(C)CCN(c2ccc(CN)cc2Cl)C1 | 3,934 |
CN1C(=O)C(C)(C)c2cc(C(=O)NCCN3CCC4(C3)OCCO4)ccc21 | 3,935 |
CC(C)C1CCc2c(sc(NC(=O)C3CCCOCC3)c2C#N)C1 | 3,936 |
Cc1ccc(C)c(OCC(=O)NCc2ccccc2Cl)c1C | 3,937 |
O=[N+]([O-])c1cc(F)ccc1NC(CO)c1ccccc1 | 3,938 |
CCOC(=O)c1ccc(NC(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 | 3,939 |
Nc1cc(NCc2cccc3c2CCOC3)nc2ncnn12 | 3,940 |
N#CCn1c(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)nc2ccccc2c1=O | 3,941 |
CC1CC2CCCCC2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 3,942 |
CNCc1cncn1C(C)c1cccnc1 | 3,943 |
COCCC(C)NC(=O)c1cccc(C)c1N | 3,944 |
CCn1nnnc1NC(=O)NCCOC | 3,945 |
CCCn1cc(N)c(C(=O)NCC)n1 | 3,946 |
O=C(Nc1ccc(C(=O)N2CCCC2c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 | 3,947 |
O=c1[nH]c2ccc(S(=O)(=O)N3CCc4sccc4C3c3ccccc3)cc2[nH]1 | 3,948 |
CC(C)C1(C(=O)O)CCN(C(=O)c2cnccc2C(F)(F)F)C1 | 3,949 |
CCc1cc(CC)n(CC(Cl)=CCl)n1 | 3,950 |
COCC1(CNS(=O)(=O)c2ccccc2C)OCCc2ccccc21 | 3,951 |
CCC(C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccccc1C | 3,952 |
CCOc1ccccc1NC(=O)C(F)(F)C(F)(F)C(=O)Nc1ccccc1OCC | 3,953 |
Fc1ccc(OCCBr)c(C(F)(F)F)c1 | 3,954 |
COc1ccccc1CC(=O)Nc1ccccc1C(F)(F)F | 3,955 |
COCC(=O)c1ccc(C(=O)OC)cc1C | 3,956 |
CC(C)N(CC(=O)N1CCc2sccc2C1COc1ccccc1F)C(=O)C1CCCC1 | 3,957 |
CCC(C)(C)N1CCN(C(=O)Nc2cnc3ccccn23)CC1 | 3,958 |
Oc1c(Br)cc(Cl)cc1C(O)CCl | 3,959 |
C=Cc1cncc(C(=O)OC)c1 | 3,960 |
CN(CC1COc2ccccc2O1)C(=O)c1ccc(OCc2cn3ccccc3n2)cc1 | 3,961 |
C#CC(CO)Nc1ccc(C(=O)O)cc1C | 3,962 |
Cc1cnc(C(=O)N(Cc2cnn(C)c2)C2CC2)cn1 | 3,963 |
COCCCNc1cncc(C(=O)Nc2ccc(Br)cc2)c1 | 3,964 |
O=C(CBr)c1ccc(OC(F)F)c(Br)c1Cl | 3,965 |
CC(C)C1C(=O)NCCN1C(=O)CC1CSc2ccccc2O1 | 3,966 |
O=S(=O)(N[C@@H]1C[C@H]1C(F)(F)F)c1cccc2scnc12 | 3,967 |
COCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC1CCC(C(=O)O)CC1 | 3,968 |
Cc1ccc(C)c(OCC(=O)N2CCC(C)(C(=O)O)C2)c1 | 3,969 |
CNc1nc(C(=O)N2CCC(n3nc(C)nc3N)CC2)cs1 | 3,970 |
Cn1cc(CC(=N)N)c(-c2ccccc2)n1 | 3,971 |
N#Cc1c(NC(=O)c2ccncc2)oc(-c2ccccc2)c1-c1ccccc1 | 3,972 |
N#Cc1ccc(NC(=S)NCc2ccc(C(=O)O)cc2)cc1 | 3,973 |
CCOC(=O)c1cc(I)c(CC)c(OC)c1 | 3,974 |
CCC(N)C(C)c1ccccc1C | 3,975 |
O=C(NC1CC(Cn2ccnc2)C1)C1CCC1 | 3,976 |
Cc1ccc(S(=O)(=O)NCC2(O)CCCCC2)c(C)c1 | 3,977 |
COc1ccc2cc(CNC(=O)COc3ccc(Br)cc3)ccc2c1 | 3,978 |
CNC1(C#N)CCC(N(CC(F)(F)F)C(C)C)C1 | 3,979 |
O=C(NCC(c1cccnc1)c1c[nH]c2ccccc12)Nc1cccc(Br)c1 | 3,980 |
O=C(Nc1nc2c(s1)CCCC2)C(F)(F)c1ccccn1 | 3,981 |
CCOC(=O)CCN(C)c1nc(N)cc(Br)n1 | 3,982 |
CN1CCC(NC(N)=O)C1 | 3,983 |
COc1cccc(CNC(CN2CCN(C)CC2)c2ccccc2)c1 | 3,984 |
CC(C)n1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)no2)n1 | 3,985 |
CCCCOCCCN1C(=O)C(Nc2ccc(OCC)cc2)=C(c2ccc(C)cc2C)C1=O | 3,986 |
CC1CCCC1(O)CNC(=O)c1ccnc(OC(F)F)c1 | 3,987 |
CC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CCC(=O)CC1 | 3,988 |
COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc(F)c3)C2)c1 | 3,989 |
CCNC(C)c1cnc(N(C)C(C)C)s1 | 3,990 |
Cc1nnc(C(C)NS(=O)(=O)C2CCCCC2)s1 | 3,991 |
CCCOc1cn(-c2ccccc2)nc1C(=O)NC1CCCCC1CN | 3,992 |
O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)NCc1ccc2c(c1)OCO2 | 3,993 |
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCCC2)CC1 | 3,994 |
COc1cccc(NC(=O)N2CCN3C(=O)CCC3C2)c1 | 3,995 |
Cc1nc(-c2ccnc(NC(=O)CCC3CCCC3)c2)n[nH]1 | 3,996 |
CC12CCC(CC1=NNC(=O)COC(=O)c1c(F)cccc1F)C2(C)C | 3,997 |
COc1cc([N+](=O)[O-])cc(/C=N\n2c(CCc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)c1O | 3,998 |
Cc1ccc(CC(=O)OC(C)C)c(N)c1 | 3,999 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.