smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
CCCc1nnc(S)n1C(C)COCC | 900 |
CSc1nc2c(c(=O)[nH]1)C(C(=O)Nc1cc(F)ccc1C)CC(=O)N2 | 901 |
CCn1c(S)nnc1CSC | 902 |
CCCCN(C)C(=O)Cn1c(C)nc2sc(C)c(-c3ccc(OCC)cc3)c2c1=O | 903 |
CCc1ncc(C(=O)NCCCc2nc3ccccc3n2C)cn1 | 904 |
CCOCC(=O)N1c2ccccc2CC1C(=O)O | 905 |
COc1ccccc1NC(=O)COc1cccnc1[N+](=O)[O-] | 906 |
CC(CNS(=O)(=O)c1ccc(C#N)c(Cl)c1)N1CCOCC1 | 907 |
COc1cc(C(=O)NC2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)C2)cc(OC)c1OC | 908 |
O=C(Cn1cnnn1)N1CCN(C(=O)NCC2CCCO2)CC1 | 909 |
N#Cc1c(C(O)C(=O)O)ccc([N+](=O)[O-])c1C=O | 910 |
O=C(O)c1nc(O)ccc1-c1cc(Cl)cc(Cl)c1Cl | 911 |
CC(C)(C)CC(=O)NCc1nc(-c2ccccc2)no1 | 912 |
CCn1c(C)cc(C(=O)COC(=O)c2ccc3nccnc3c2)c1C | 913 |
CC1CCN(S(=O)(=O)C2CCC(F)(F)CC2)CC1 | 914 |
CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)C2c2c[nH]c3ccccc23)cc1OCC | 915 |
Cc1nn(C)c(N2CCOCC2)c1CNC1CCC(O)CC1 | 916 |
CC1(NC(=O)c2ccc(OCc3ccccc3)cn2)CCC(O)CC1 | 917 |
CCc1cccc(C(O)c2cncs2)c1 | 918 |
Cc1cc(NC(=O)C(=O)NC(C)(C)CC(C)(C)C)ccc1Br | 919 |
N#CCc1cc(Br)c(CO)c(I)c1 | 920 |
CC1(C)CCC(NC(=O)c2ccc3c(c2)OCO3)C1 | 921 |
COc1cccc(OCCNC(=O)N2CCC(C)CC2)c1 | 922 |
Cc1cc(C(=O)N2CCC(c3ccco3)C2)nn1-c1ccccc1F | 923 |
CCCC(C)(N)C(=O)Nc1ccc(F)c(NS(C)(=O)=O)c1 | 924 |
CCOc1ccc(C(CNC(=O)c2ccc(C)c(C)c2)N(C)C)cc1 | 925 |
CCc1ccc(N(CC(=O)Nc2cccc(OC)c2)C(C)=O)cc1 | 926 |
CCOC(=O)CC(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1 | 927 |
Fc1ccc(-c2nc3c(s2)CNCC3)cc1F | 928 |
Cc1nc(Nc2ccccc2F)cc(C(=O)NC2CCCC2)n1 | 929 |
CCn1nnc(C)c1C(=O)N1CCN(c2ccnc(C)n2)CC1 | 930 |
O=C([C@@H]1C[C@H]1C1CCNCC1)N1CCCC1c1cccc(F)c1 | 931 |
CCOCc1ccc(CNC(=O)c2ccc(C(=O)O)c(C)n2)cc1 | 932 |
O=C(NC1CCCC1)C(c1ccc(Cl)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)CCl | 933 |
Cc1cc(C)c(C(O)C2CC2)cn1 | 934 |
Cc1ccccc1C(NC(=O)c1nc(=O)[nH][nH]1)C(C)(C)C | 935 |
Cc1nc(C#N)c(N2CCC(C(=O)NC3CSc4ccccc43)CC2)o1 | 936 |
CC(=O)c1c(OCC(=O)Nc2ccc(F)c(F)c2F)ccc2c(C)cc(=O)oc12 | 937 |
Cc1cc(OC2CCCCC2)ncc1N | 938 |
CN(CC(=O)O)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 | 939 |
Cc1nc(SCc2cc(=O)n(C)c(=O)n2C)c2c3c(sc2n1)CCC3 | 940 |
O=C(c1ccc(=O)[nH]n1)N1CCN(c2nccc3ccccc23)CC1 | 941 |
Cc1ccc(-n2nc(N3CCCN(C(=O)Nc4cc(C)cc(C)c4)CC3)ccc2=O)cc1 | 942 |
CNS(=O)(=O)CC1CCCN1C(=O)C1CCCC(C)C1 | 943 |
CC(O)(CC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)C1CC1 | 944 |
O=C(CCc1ccc(F)cc1)Nc1cccn2ccnc12 | 945 |
COc1ccc(-c2c(C)c3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3oc2=O)cc1 | 946 |
CCCOc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2)C3)cc1 | 947 |
COCC(C)NC(=O)C1(N)CCC1 | 948 |
Oc1cccc(Cl)c1OC(F)(F)F | 949 |
CC(C)(CN)Nc1cccc(F)c1[N+](=O)[O-] | 950 |
CC(CC1(O)CCC1)NC(=O)c1cnc(-c2ccccc2)nc1 | 951 |
CCC1(C)CCN(C(=O)CC(C(F)F)N2CCOCC2)C1 | 952 |
NS(=O)(=O)C1(C(=O)N2CC3CCC(C2)O3)CCC1 | 953 |
CC(N(C)c1ccc(CN)nn1)C(C)(C)C | 954 |
CN(Cc1cc(-c2ccccc2)on1)C(=O)CN1C[C@@H]2CC[C@H](CC1=O)N2 | 955 |
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCOCC3)[nH]c2=O)cc1 | 956 |
COc1cc(-c2nnc(CSc3nnc(Nc4cccc(C)c4)s3)o2)cc(OC)c1OC | 957 |
CC(NCC1COCCO1)c1c(Cl)nc2ccccn12 | 958 |
Cc1ncn(CC(=O)N2C[C@@H](CN(C)CCN(C)C)[C@@H](CO)C2)c1C | 959 |
CCc1cccc(C)c1NC(=O)N1Cc2nn(C)c(N)c2C1 | 960 |
CCN1CC(CN(C)C(=O)Nc2ccccc2Cl)Oc2ccccc21 | 961 |
CC(NC(N)=O)C(=O)NCc1cn[nH]c1 | 962 |
CC(=CC(=O)N1CCCC(CC(C)(C)C(N)=O)C1)CN1CCOCC1 | 963 |
O=C(O)C1CCN(C(=O)c2ccc(Cl)cc2O)C1 | 964 |
CCCNC(=O)NC1CC(=O)N(CCc2ccc(OC)cc2)C1 | 965 |
CCOC(=O)Cc1ccc(O)c(OCC)c1C(F)F | 966 |
CC(=O)N1CCN(c2cccc(NCC3CCCCC3)c2)CC1 | 967 |
CC(C)N1C(=O)CC(NC(=O)C2CCCN2)C1=O | 968 |
Cc1cccc(C(=O)OCc2cc(-c3ccc(S(C)(=O)=O)cc3)n(-c3cccc(C(F)(F)F)c3)c2C)c1 | 969 |
CN(C)C(=O)COc1cccc(NC(=O)C2CCCCC2(C)N)c1 | 970 |
CCN(CC)C(=O)CS(=O)Cc1ccc(C(=O)O)o1 | 971 |
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)Cc1cnn(C)c1 | 972 |
O=C(O)c1cccc(CC(=O)N2CCOCC2c2ccccc2)c1 | 973 |
CN(Cc1nccs1)C(=O)CC(c1ccccc1)c1ccc(Cl)cc1 | 974 |
Cc1ccc(CN2CCCn3cccc3C2c2cc(C)ccc2C)cc1 | 975 |
O=C(Cc1ccc(Cl)c(Cl)c1)C1CCCCN1 | 976 |
CCc1cccc(C)c1NC(=O)c1cc(C)nc(N(CC)CC)n1 | 977 |
Cn1ncc2c(=O)n(CCC(=O)NNC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cnc21 | 978 |
Cc1c(C(=O)NC2CCCCCC2)cnn1-c1ccccc1F | 979 |
C=CC(=O)c1ccncc1OC | 980 |
CNS(=O)(=O)c1csc(C(=O)N2CCSC(C)(C)C2)c1 | 981 |
Cc1nsc(NC2(CO)CCOC2)n1 | 982 |
COc1cccc(C2CC(O)CN2Cc2cc(OC)no2)c1 | 983 |
N#Cc1cc(C(F)F)ccc1F | 984 |
C[Si](C)(C)c1ccc(Br)nc1F | 985 |
CCc1ccc(C(CNC(=O)N2CC(O)C3(CC3)C2)N(C)C)cc1 | 986 |
CC(C)(CCO)NC(=O)c1cc(N)ccc1Cl | 987 |
Cc1cccnc1-c1ncc(I)c(N)n1 | 988 |
CC1CCN(C(CNC(=O)c2cccc[n+]2[O-])c2ccccc2)CC1 | 989 |
COc1ccc(OCCNC(=O)CNC(=O)C2CCC2)cc1 | 990 |
COCc1cc(NN)c2cccc(COC)c2n1 | 991 |
COc1ncccc1CNc1cnccn1 | 992 |
Cc1cc(NC2CCCOC2)ccc1C(N)=S | 993 |
CC(C)[C@@H](N)Cc1nc(-c2cc(Br)ccc2F)no1 | 994 |
CCCNCc1c(C)nn(C)c1N(CC)CC | 995 |
COc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 | 996 |
CCOc1ccc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c(c2)OCCO3)cc1OC | 997 |
COC(=O)CCC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2C | 998 |
CC1CCCN(C(=O)C(=O)Nc2cccc(Br)c2)C1 | 999 |
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