smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)C2c2ccc(N(CC)CC)cc2)cc1OCC | 12,900 |
O=C([C@H]1CCN1)N(Cc1cccc(F)c1)C1CCCC1 | 12,901 |
Cc1oc(-c2ccccc2)nc1CC(=O)NCC(c1cccs1)N(C)C | 12,902 |
CCOC(=O)C(F)(F)OCC1CC=CCC1C | 12,903 |
Cc1cc(=O)c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cn1C1CC1 | 12,904 |
Cc1ccc(N2CCC(CN)C2)nn1 | 12,905 |
CC1COCC1C(=O)NCc1ccccc1 | 12,906 |
O=C(CN1CCN(C(=O)Cc2cn3ccsc3n2)CC1)NC1CC1 | 12,907 |
CC(=O)N(C)CC(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 | 12,908 |
CCc1[nH]ncc1NC(=O)c1sc2ncn(C)c(=O)c2c1C | 12,909 |
CC(O)C(=O)N1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 | 12,910 |
CC1=CC(=O)C(C(=O)C=Cc2cc(C)c(O)c(C)c2)C(=O)O1 | 12,911 |
CC(C(=O)N1CCCC(C(N)=O)C1)N1CCC(OCCCN(C)C)CC1 | 12,912 |
Cc1ccc2[nH]c(C3CCCN(S(=O)(=O)c4cccs4)C3)cc2c1 | 12,913 |
COc1ccc(C)cc1-c1ccc(C=O)cc1F | 12,914 |
CCc1noc(CC)c1CNC(=O)CNCC1CC1 | 12,915 |
Cc1cc(I)ccc1NC1CCS(=O)CC1 | 12,916 |
O=C(CN1CCN(Cc2ncc[nH]2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 | 12,917 |
C#CCCC1(CCC(=O)NC2CCN(C(=O)c3ccco3)CC2)N=N1 | 12,918 |
CN(C)c1noc(CCC(=O)N(C2CCC2)C2CCC2)n1 | 12,919 |
CCC(C)(CNC(=O)NC1CCOCC1)C(=O)O | 12,920 |
CCC1(CC)CCN(c2ccc(N)cc2)C1 | 12,921 |
CCC(O)CCc1ccn(C2CCCCC2)n1 | 12,922 |
COc1cccc(C(O)c2cnc(C(C)C)n2C)c1 | 12,923 |
CCCNCCC=C(C)Cc1cccc(Cl)c1 | 12,924 |
COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)n2)c1 | 12,925 |
COc1ccccc1OCC(=O)N1CCCC2c3nc[nH]c3CCC21 | 12,926 |
CCC(C)(Nc1ccccc1)c1nnnn1-c1ccccc1 | 12,927 |
O=C(Nc1ccccc1)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 | 12,928 |
CCc1nc(C)cc(NCc2cccc3c2OCCCO3)n1 | 12,929 |
CCN(Cc1c(F)cccc1F)C(C)(C)C(=O)O | 12,930 |
CCCC(NC(=O)c1ccccc1)C(N)=S | 12,931 |
Cc1cnc2n(c1=O)C(CC(=O)Nc1ccc(C(C)C)cc1)CS2 | 12,932 |
CN1CCOC(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)C1 | 12,933 |
Cn1nnc2cc(C(=O)NC3(c4ccc5c(c4)OCCO5)CCCC3)ccc21 | 12,934 |
Cc1cc(C)n(CC(C)NC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)n1 | 12,935 |
Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)N2CC(C)OC(C)C2)cc1 | 12,936 |
CCC12CC3CC(C1)CC(NC(=O)Nc1nnc(C)s1)(C3)C2 | 12,937 |
CC(C)(C)OC(=O)NCC(N)c1ccon1 | 12,938 |
CCc1ccccc1NC(=O)N1CCN(c2ccc(Nc3cccc(C)n3)nn2)CC1 | 12,939 |
CCN(CC)c1ccc(NCC(=O)Nc2ccc(C)cc2Br)cc1 | 12,940 |
O=C(CNC(=O)c1ccccc1)NCc1cccc(C(=O)O)c1 | 12,941 |
CCOC(=O)CCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | 12,942 |
COC(=O)c1nc(O)c(O)cc1C(F)F | 12,943 |
N#C/C(=C/Nc1cc(Br)ccn1)C(=O)Nc1ccc(Cl)cc1 | 12,944 |
CC(C(=O)NC1CC1c1cccc(Cl)c1)n1cccn1 | 12,945 |
Cc1cccc(C(=O)NCC(c2cccnc2)S(=O)(=O)c2ccc(F)cc2)c1 | 12,946 |
CC(C)(C(=O)NCCCN)c1ccccc1Cl | 12,947 |
CCn1nccc1C(=O)NCc1nn(C)cc1C | 12,948 |
CN1[C@H]2CC[C@@H]1CN(C(=O)c1ccc3nc(-c4ccccc4)cn3c1)CC2 | 12,949 |
CCOc1cc(C2=C(O)C(=O)N(c3ccc(F)c(Cl)c3)C2c2ccc(OC(C)=O)cc2)ccc1OC | 12,950 |
CCC1Cn2c(C(=O)N3CCN(c4ccccc4)CC3)cc3c(Cl)ccc(c32)O1 | 12,951 |
COc1cccc(C=CC(=O)NCC(=O)N2CCCC2)c1 | 12,952 |
CC1CCN(Cc2nnsc2Cl)CC1C | 12,953 |
CCC(C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(C(=O)O)cc2)c1 | 12,954 |
CCCC(=O)NC1CCN(C(=O)CCC(=O)c2ccc(C)cc2)CC1 | 12,955 |
CC(Oc1ccccc1Cl)c1nc(C2CCNCC2)no1 | 12,956 |
O=C(CCCCl)Cc1ccc(F)cc1Cl | 12,957 |
CCCN(c1nc(CNC)co1)C(C)C | 12,958 |
Cc1cc(C)cc(NC(=O)c2cc(C)nc(NC3CCCC3)n2)c1 | 12,959 |
Cc1ccccc1SCC(=O)NCC(C)C(=O)O | 12,960 |
CN1CCC(Nc2ncnc3c2CCC3)CC1 | 12,961 |
Cc1nnc(SCC(=O)NCc2ccco2)c2c1cnn2-c1ccc(F)cc1 | 12,962 |
CCNC1(C#N)CCC(OC(C)(C)CC)C1 | 12,963 |
CCc1cc(C(=O)N2CSCC2C(=O)NCc2ccccc2)sc1C | 12,964 |
CC(C)CC(C)NCc1cnn(CC(F)(F)F)c1 | 12,965 |
CCC[C@H](N)C(=O)NCCCn1c(C)cccc1=O | 12,966 |
O=C(NCC1CCCO1)C(c1cccs1)N(Cc1ccc(F)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O | 12,967 |
COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCCCCC(=O)O)cc1 | 12,968 |
OCc1ccc(N2CC=CC2)c(Br)c1 | 12,969 |
CSc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 | 12,970 |
O=C(NC1CCCCCC1)c1cc(Nc2ccc(Br)cc2)ccn1 | 12,971 |
CCCCNC(=O)CCN(C(C)=O)c1ccc(OCC)cc1 | 12,972 |
O=C(c1cccc(CO)c1)N1CCN(Cc2cccc3cc[nH]c23)CC1 | 12,973 |
CCn1c(CC(=O)Nc2cccc(SC)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 | 12,974 |
CC(C)(N)c1noc(-c2cc(F)c(F)c(F)c2)n1 | 12,975 |
Cc1cccc(NC(=O)c2cncc(C(=O)Nc3c(F)cccc3F)c2)c1 | 12,976 |
CCC1(C(=O)NC2Cc3cnccc3NC2=O)CCC(F)(F)CC1 | 12,977 |
CCc1c(C)sc2nc(O)n3nc(-c4ccccc4)nc3c12 | 12,978 |
CC1CC(N2CCCC2)CN1c1ccnc(C(F)F)c1 | 12,979 |
CCC1CN(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3C)CC2)c2ccccc2O1 | 12,980 |
Cn1ncc2c1CCCC2Nc1cc(N)ncn1 | 12,981 |
CNS(=O)(=O)c1cc(C(=O)N2CCOCC2C(=O)O)c(C)o1 | 12,982 |
CCN(CC)c1nc2c3c(nc4c(c3c1C#N)CC(=O)N4c1cc(Cl)cc(Cl)c1)N=C(C)N2 | 12,983 |
CN(CC#CCN)Cc1ccccc1 | 12,984 |
CC(CCl)CCc1ccccn1 | 12,985 |
O=C(COc1ccc(Br)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 | 12,986 |
Cc1ccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)C(=O)NCCCCCO3)cc1 | 12,987 |
CC(C)(C)c1ccc(OCC2CCN(C(=O)NCc3ccccc3)CC2)nn1 | 12,988 |
Cc1cc(C)n(CC(=O)N[C@H]2CCCO[C@@H]2c2cnn(C)c2)n1 | 12,989 |
CCS(=O)(=O)Oc1ccc(CN(C(=O)CCc2ccccc2)C2CC2)cc1 | 12,990 |
O=c1c(I)c[nH]c2c(F)cc(Br)cc12 | 12,991 |
O=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2ccccc21)NCCc1ccccc1 | 12,992 |
CC(NC(=O)NC1CC(C)N(C2CC2)C1)C1CCCO1 | 12,993 |
O=C(CN1C(=O)CCOc2ccccc21)Nc1ccc(-c2nnc3n2CCCCC3)cc1 | 12,994 |
CCOCCNC(C)C(C)n1cc(C)cn1 | 12,995 |
N#CCCCCSc1ccc(F)c(F)c1 | 12,996 |
O=C(NC(C1CCC1)C(F)(F)F)c1c[nH]cc1C1CC1 | 12,997 |
CCC(CC)(CNC(=O)N1CCC(C(=O)O)C(C)C1)OC | 12,998 |
CCOCCC(=O)N[C@@H]1CC=CC[C@H]1C(N)=O | 12,999 |
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