smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
O=C(Cl)c1c(O)ccc(F)c1I | 11,800 |
CN1CCN(C(=O)CCN2CCN(c3nccs3)CC2)CC1 | 11,801 |
O=C1CCCc2ccc(NC(=O)C3CC4(C3)CS(=O)(=O)C4)cc21 | 11,802 |
Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCC(Cn3ccnn3)CC2)[nH]n1 | 11,803 |
CC(Oc1cccc(C(=N)N)n1)C(F)(F)F | 11,804 |
Brc1cc(CNC2CCOC2)cc2c1OCO2 | 11,805 |
Cc1ccc(S(=O)(=O)NCc2cc3n(n2)CCCO3)c(Cl)c1 | 11,806 |
Cc1ccc(O)c(CN(C)Cc2nccn2C)n1 | 11,807 |
Cc1ccc(-c2nc3sc(N4CCN(C(=O)CC(C)C)CC4)nn3c2NC2CCCC2)cc1 | 11,808 |
CCc1nn(C)c(CCCl)c1Br | 11,809 |
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1Br | 11,810 |
Cc1nnc(NC(=O)C=Cc2ccc(Br)cc2)[nH]1 | 11,811 |
CN1CCN(C(=O)CCNC(=O)[C@@H]2COC(C)(C)O2)CC1 | 11,812 |
O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(Br)cc1 | 11,813 |
Cc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cn1 | 11,814 |
CCC(=O)N1CCCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 | 11,815 |
CC(Cl)C(=O)Nc1nc2scc(-c3ccc(Cl)cc3)n2n1 | 11,816 |
CCc1cc(N(C)CC2CCNCC2)nc(C)n1 | 11,817 |
Cc1cccc(-n2cc(CNCCN3CCNC3=O)c(-c3cccc(F)c3)n2)c1 | 11,818 |
O=C(CCl)c1ccc(F)c(S)c1F | 11,819 |
Cc1ccccc1OC1CN(C(=O)CCCn2ccnc2)C1 | 11,820 |
CC(C)(C)c1nc[nH]c1C(=O)N1CCOC2(CCC2)C1 | 11,821 |
Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1 | 11,822 |
Cc1cccc(CNC(=O)c2ccccc2NC(=O)C(C)OC(C)C)c1 | 11,823 |
COc1ccccc1CCNc1ccnc(NCc2cccc(C)c2)n1 | 11,824 |
CC(CS(C)=O)Nc1cnn(C(C)C)c(=O)c1Br | 11,825 |
CN1CC(NC(=O)c2cnn(-c3ccccc3F)c2)C(C)(C)C1 | 11,826 |
CCN1C(=O)CNC1(C)C1CC1 | 11,827 |
CCCC1CCc2nc(NC(=O)N3CCC(C(=O)O)CC3)sc2C1 | 11,828 |
N#Cc1ccc(F)c(NC(=O)C23CCC(CC2)C3)c1 | 11,829 |
CCCCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 | 11,830 |
CCCNCC(=O)NC1CCN(C)C1 | 11,831 |
O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCOCC1 | 11,832 |
CCCCc1cc(Cl)cnc1F | 11,833 |
Cc1nnc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)Cc2cccs2)o1 | 11,834 |
CCN(CC)C(=O)CN1CCN(C(=O)CCc2nnc(C)o2)CC1 | 11,835 |
Nc1cccc2c1N(Cc1nnsc1Cl)CC2 | 11,836 |
CN(CC1CCCN(Cc2ccc(Oc3ccccc3)o2)C1)S(C)(=O)=O | 11,837 |
O=C(CCc1ccn[nH]1)N1CCN(C(=O)c2ccc(F)cc2)CC1 | 11,838 |
Cc1ccccc1CC1(CO)CN(C(=O)c2cncc(O)c2)CCO1 | 11,839 |
CC(=O)N1CCc2ccc(S(=O)(=O)NC3CCNC34CCCC4)cc2CC1 | 11,840 |
CCC1Oc2ccc(S(=O)(=O)N3CCN(C(=O)c4ccnn4C)CC3)cc2NC1=O | 11,841 |
CNc1ccc(C(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1F | 11,842 |
Cc1ccc(CNCCC(C)C)cc1[N+](=O)[O-] | 11,843 |
CC(C)(CO)NCc1ccc(OCc2ccccc2)c(Cl)c1 | 11,844 |
Brc1cc(C2CC2)nc(C2CC2)n1 | 11,845 |
COC(=O)[C@@H](NC(=O)Cc1c(-c2ccc(OC)cc2)oc2c(=O)cc(C)oc12)C(C)C | 11,846 |
CCCNC(CC(C)(C)C)c1cc(Br)ccc1Br | 11,847 |
Cn1nc(NC(=O)N2CCCC3(CCCCC3)CC2)cc1C1CC1 | 11,848 |
Cc1nc(Br)cc(NCc2cocn2)n1 | 11,849 |
CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1NC(=O)CC1C(=O)O | 11,850 |
CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)NC1C | 11,851 |
CCCC(=O)Nc1ccc(N2CCCc3ccccc32)nc1 | 11,852 |
COC(=O)c1cc(I)c(F)cc1Br | 11,853 |
C=CC(NN)c1cc2c(s1)CCCC2 | 11,854 |
CSc1ncccc1C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 | 11,855 |
O=C(NC1CCCCCC1)c1nc2ncccn2n1 | 11,856 |
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc([N+](=O)[O-])ccc1Cl | 11,857 |
NC1CCOC1c1sccc1Br | 11,858 |
C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NCc1cccn1C | 11,859 |
COc1ccc(F)c(CN2CCCC3(CCN(CCc4ccccc4)C3)C2=O)c1 | 11,860 |
O=C(Cn1nc(-c2ccc(Cl)cc2)nc1Cl)NC1CCCC1 | 11,861 |
CN(C)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(-c3ccoc3)s2)cc1 | 11,862 |
CCc1cnc(CN2CCCc3ccc(S(C)(=O)=O)cc32)o1 | 11,863 |
CC1CCC(O)C(C2CCCN2C(=O)NCCc2nn(C)c3ccccc23)C1 | 11,864 |
CNCc1cncn1C1CC1 | 11,865 |
CC(C)CS(=O)CC(=O)Cc1ccc(F)cc1 | 11,866 |
CC(C)=CCNc1ncc(N)s1 | 11,867 |
Nc1nnc(CC2CCCO2)s1 | 11,868 |
CCCN1CCCC(C#N)(N2CCNCC2)CC1 | 11,869 |
CCOC(=O)c1c(CC)n[nH]c1S(=O)(=O)NCc1ccc(C(F)(F)F)cc1 | 11,870 |
COCCNC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O | 11,871 |
Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nc2c1 | 11,872 |
COc1ccc(NC(=O)CNCc2ccc(OC)c(OC)c2)cc1Cl | 11,873 |
CCn1nc(C)c(CC(=O)NC2Cc3cccnc3NC2=O)c1C | 11,874 |
CC(NC(=O)c1ccc2c(=O)[nH]c(S)nc2c1)c1cc2ccccc2o1 | 11,875 |
COCC1CN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)C1 | 11,876 |
Cn1ccnc1C(NC1COCc2ccccc21)C1CC1 | 11,877 |
COc1cc(CN(C)C)ccc1NC(=O)c1cncnc1 | 11,878 |
CC1(C)CC(NC(=O)c2ccccc2C(F)F)CCS1(=O)=O | 11,879 |
O=C(Nc1nccs1)c1ccc(-c2ccccc2)cc1 | 11,880 |
O=C(NCC(O)c1ccoc1)c1ccccn1 | 11,881 |
CCOC(=O)Oc1ccc(C(=O)Nc2cccc(CNC(=O)CCCOc3ccccc3Cl)c2)cc1 | 11,882 |
Nc1ncc(Cl)cc1S(=O)(=O)N1CCC12CCC(CO)CC2 | 11,883 |
CCOC(=O)Cn1cc(Cl)cc(Cl)c1=O | 11,884 |
CCCOc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(C(C)C)cc4)sc3nc2=O)cc1 | 11,885 |
O=C(O)C1CCCCN1C(=O)c1cnc(-c2ccccc2F)s1 | 11,886 |
CC(C)COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2cccc(OC(C)C)c2)c1 | 11,887 |
CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1 | 11,888 |
Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NC3CCOC4(CCC4)C3)c12 | 11,889 |
CC(C)N(CCO)CCC(=O)c1cccc(F)c1 | 11,890 |
CCCCCCNS(=O)(=O)c1ccccc1Br | 11,891 |
CC1(C)CCN(C(=O)c2cncc(Cl)c2)CC1 | 11,892 |
O=C(c1cc(OCC(F)F)ccn1)N1CCCCC1c1ncccn1 | 11,893 |
CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc(-n2cccn2)nc1 | 11,894 |
CCc1nc(CCn2ccnc2-c2ccc3c(c2)OCCO3)cs1 | 11,895 |
Cc1c[nH]c(CN(C)C(=O)c2ccnn2C(C)C)n1 | 11,896 |
O=C(O)CC1CCCN(Cc2cccc3nccn23)CC1 | 11,897 |
CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC)cc2)cc1 | 11,898 |
CNc1cc2c(nn1)CCN(C(=O)NC1CC(C)(C)OC1(C)C)C2 | 11,899 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.