smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CCc1n[nH]c(=O)c(CNS(=O)(=O)c2ccccc2F)c1CC | 7,800 |
CCCNC(CCC)c1c(C)ccnc1N | 7,801 |
Cc1nn(C)cc1C1CCCN1C(=O)c1c[nH]c(C2CC2)n1 | 7,802 |
CC(C)C(C)Cn1cnc2c1CCNC2 | 7,803 |
CC(CS(C)(=O)=O)Nc1ccc(N)cc1C(N)=O | 7,804 |
C=CCNC(=O)C(C)N1CCCC(O)C1 | 7,805 |
CN(CCCC(=O)O)C(=O)CC1CC2CCC1C2 | 7,806 |
CN=S(C)(=O)c1ccccc1C | 7,807 |
O=C(NCCCc1nc2ccccc2[nH]1)N1CCCC(n2ccnc2)C1 | 7,808 |
CCC(C#N)S(=O)(=O)Nc1ccccn1 | 7,809 |
CSCCC(=O)N1CCCC1C#N | 7,810 |
COc1ccc(-c2ccc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCOCC3)o2)cc1 | 7,811 |
CCOC(=O)c1ccccc1OC12CCCN(CC1)C2 | 7,812 |
Cc1ccsc1CNCC(=O)NC1CCOCC1 | 7,813 |
CN1CCC(Cc2ccccc2)(C(=O)N2CCC(OC3CCOC3)CC2)C1=O | 7,814 |
NCc1ccc(C(=O)N(CCC(F)(F)F)C2CCCCC2)cc1 | 7,815 |
CC(=O)Nc1ccc(N2C(=O)CC(/C=C3/N(C)c4ccccc4C3(C)C)C2=O)cc1 | 7,816 |
Nc1ncc(C(F)F)c(O)c1CC(=O)O | 7,817 |
COc1ccc(-n2ccc(C(=O)NCc3ccnn3CCc3ccccc3)n2)cc1 | 7,818 |
CC(C)C(C(=O)N1CCC(c2cnccn2)C1)c1ccc(F)cc1 | 7,819 |
CC(=O)NC1CCN(C(=O)c2ccc(-c3ccc(C)nc3C)cc2)C1 | 7,820 |
CC(C)(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] | 7,821 |
Cc1noc2ncc(C(=O)N3CC(C)N(C)CC3C)cc12 | 7,822 |
O=S(=O)(Cc1cscn1)NCC12CCC(CC1)C2 | 7,823 |
Cc1noc(C)c1CCCNC(=O)c1ncccc1Br | 7,824 |
CCC(=O)Nc1ccc(C(=O)N/N=C(\c2ccccc2)C(C)C)cc1 | 7,825 |
N#Cc1ccc2c(c1)N(C(=O)C(=O)Nc1cc(C3CC3)nn1-c1ncccn1)CC2 | 7,826 |
OCc1c(Cl)cc(F)cc1I | 7,827 |
C=CC(C(=O)N1CCOC(C)C1C)c1ccccc1 | 7,828 |
CC(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cnco1 | 7,829 |
CC(C)NC(=O)C(C#N)=CN(C)C | 7,830 |
COCCCCC(=O)N1CCN(c2nccn2C)CC1 | 7,831 |
COCC(=O)N1CCCCNC(=O)[C@@H]2C[C@@H](CN2C(=O)CCSc2ccc3c(c2)OCCO3)Oc2ccc(cc2OC)CCC(=O)NCCC1 | 7,832 |
Cc1ccsc1C(C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1cnccn1 | 7,833 |
O=C(NCCc1ccc(F)cc1)Nc1cccc(O)c1 | 7,834 |
CC(C)OCCN1CCCC(=O)C1 | 7,835 |
Cc1cccc(NC(=O)CCC2CCN(C(=O)c3cc(C)nc(C)n3)CC2)c1 | 7,836 |
OCc1cc(I)c(I)cc1CO | 7,837 |
Cc1ccc(C(O)Cc2ccncc2)c(F)c1 | 7,838 |
O=S(=O)(Cc1ccc(Cl)cc1)N1CCc2ccc(N3CCCC3)cc21 | 7,839 |
c1csc(-c2nnc(N3CCOCC3)c3ccccc23)c1 | 7,840 |
FC(F)(F)CN1CCN(c2nnc(Br)s2)CC1 | 7,841 |
C=CCN(C(=O)C1CCN(CC(F)(F)F)CC1)C1CCS(=O)(=O)C1 | 7,842 |
Cc1ccc(NC(=O)C2CCN(C(=O)C3CC34CCOC4)CC2)nc1 | 7,843 |
Cc1cc(NCc2ccc(S(N)(=O)=O)cc2)nc(-c2cccnc2)n1 | 7,844 |
COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3ccc(C)cc3C)c2=O)cc1 | 7,845 |
CC(C)CC(CN)NC(=O)c1cccc(F)c1 | 7,846 |
CC(C)NCCOc1ccccn1 | 7,847 |
CCCOc1ccc(C2C(c3ccc(OC)cc3OC)=C(O)C(=O)N2c2ccc(C(C)C)c(C)c2)cc1 | 7,848 |
COc1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1OC | 7,849 |
CC1(C)COCCN1Cc1cccnc1C(=N)N | 7,850 |
C=CCN(CC(=O)O)C(=O)c1ncccc1NC(=O)OCC1c2ccccc2-c2ccccc21 | 7,851 |
O=C(N[C@H]1CC[C@H](c2nccc(O)n2)CC1)c1ccc2cc[nH]c2c1 | 7,852 |
CCN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)nc2ccccc12 | 7,853 |
CCCN1CCCc2cc(CCNC(=O)c3ccc(OC)cc3)ccc21 | 7,854 |
O=C(CCC(=O)Nc1cccc(F)c1)NCC(c1ccco1)N1CCCC1 | 7,855 |
CCc1[nH]c2c(CNC(=O)c3ccn(C)c(=O)c3)cc(C)cc2c1C | 7,856 |
Cc1cc(NC(=O)N2CCNC(=O)C2CC2CCCCC2)no1 | 7,857 |
Cc1ccc(CNCc2cc3c(cn2)OCCO3)c(C)c1 | 7,858 |
CC(C(=O)O)N(C)Cc1cn2ccsc2n1 | 7,859 |
N#C/C(=C/c1ccccn1)c1nc2ccccc2c(=O)[nH]1 | 7,860 |
CCOC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] | 7,861 |
CN(CCC(F)(F)F)c1ccc(N)cc1C(=O)O | 7,862 |
Cc1cccc(Nc2nc(-c3nnc(-c4cccc(C)c4)o3)nc3ccccc23)c1 | 7,863 |
CCC1CCCN(C(=O)c2c[nH]nc2-c2ccccc2)CC1 | 7,864 |
C=CCOc1ccc(-c2nc3s/c(=C4\C(=O)N(Cc5ccccc5F)c5ccccc54)c(=O)n3n2)cc1 | 7,865 |
CCCNc1ccc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1 | 7,866 |
CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2nc(C)co2)cc1 | 7,867 |
Cc1c[nH]c(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)c1 | 7,868 |
Nc1nc(CC(=O)NC2CCC(=O)NC2=O)cs1 | 7,869 |
CNCCC(=O)N1CCN(c2cc(C#N)ccn2)CC1 | 7,870 |
CCC(C)NC(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccc(OC)cc2)cc1 | 7,871 |
O=C(O)Cc1nc(-c2ccc(Br)s2)no1 | 7,872 |
CCN(C(=O)C=Cc1ccco1)c1ccccc1 | 7,873 |
CN1CCCC2(CCN(C(=O)CC3(O)CCCC3)C2)C1 | 7,874 |
COC(=O)c1ccc(Nc2cccc(C(=O)OC)c2O)nn1 | 7,875 |
CC1CNc2c(C(=O)NCc3cccnc3OC(C)C)cnn2C1 | 7,876 |
CC(C)[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)O | 7,877 |
NCC(O)Cn1ccc(=O)c2ccccc21 | 7,878 |
CC(C)c1ccc(-n2c(=O)n(C3CCCC3)c(=O)c3c2ncn3Cc2ccccc2F)cc1 | 7,879 |
FC(F)(F)C(F)(Cl)C(F)(Cl)Sc1c[nH]c2ccccc12 | 7,880 |
C=CCCC(NCC)C(C)(C)N1CCCCC1 | 7,881 |
Nc1cc(Br)c(=O)n(CCN2CCOCC2)c1 | 7,882 |
CC(CCC(=O)O)NC(=O)c1ccc(C(=O)NC2CC2)cc1 | 7,883 |
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Br)cc1 | 7,884 |
Cc1cc(C)c(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)c1 | 7,885 |
CC(=NNc1cccc(C(=O)O)c1)c1cc(Cl)ccc1O | 7,886 |
CC1OCCCC1C(=O)N1CCS(=O)(=O)C(C)(C)C1 | 7,887 |
CCCSCC(=O)N1CCNC[C@@H]1C | 7,888 |
NCCC(=O)NCC1CCCCN1Cc1cccc(F)c1 | 7,889 |
CN(CCNc1nccc2ccccc12)C1CC1 | 7,890 |
Cc1ccc(CCC(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1 | 7,891 |
N#CCc1cccc(C(=O)N2CCN(Cc3ccc(O)c(Cl)c3)CC2)c1 | 7,892 |
CC1COCCC1CNCc1cccn2ccnc12 | 7,893 |
Cc1ncc(CN2CCc3nn(C(C)C)c(=O)cc3C2)s1 | 7,894 |
NCCCCNC1CCN(c2ccncc2)CC1 | 7,895 |
OC(Cc1ccncc1)Cc1ccc(Cl)c(Cl)c1 | 7,896 |
OC[C@@H](NCc1ccco1)c1ccccc1 | 7,897 |
COc1ccc(N(Cc2nnc(-c3cccs3)o2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 | 7,898 |
CCC(N)Cc1cccc(F)c1Br | 7,899 |
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