text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCC[C@H](N)c1ccc(OCc2ccccc2)cc1 | unichem_smiles | 21 |
Cc1ccc(C(O)=Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1F | unichem_smiles | 36 |
O=C(O)c1ccc(CN=C(O)CC2C=CCC2)o1 | unichem_smiles | 25 |
OC(Cc1ccc2c(c1)CCC2)=NN=C(O)CC12CC3CC(CC(C3)C1)C2 | unichem_smiles | 37 |
CC(C)(CCC#N)CNCc1ccc(Cn2ccnc2)cc1 | unichem_smiles | 23 |
N=C(O)CCN1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 | unichem_smiles | 34 |
CN(C)CC1CCCC1CN | unichem_smiles | 9 |
COc1ccccc1CN(C(=O)Nc1ccc(CC(=O)N(C)C)cc1)C1CC1 | unichem_smiles | 36 |
C=C(C)C1(C=CC)CCC(Nc2ncc(C(=O)OCCC)cc2CC)(c2ccccc2)CC1 | unichem_smiles | 41 |
CC(OCC(=O)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)c1ccccc1 | unichem_smiles | 44 |
Cc1ccccc1CN1CCC2(CCNC2)C1.Cl | unichem_smiles | 19 |
N=C(O)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[C@H]3N2)CC1 | unichem_smiles | 40 |
OCCC#CC=C=CCCO | unichem_smiles | 9 |
CC1=C(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 | unichem_smiles | 33 |
COCCOC(=O)C1=C(C)N(CC(C)C)C(O)=NC1c1ccccc1F | unichem_smiles | 34 |
CCc1cc(CC)c([C@@]2(O)C(=O)c3c(CC)cc(CC)cc3[C@@H]2C)c(CC)c1 | unichem_smiles | 47 |
COc1cccc(-c2nc(C(O)=NC(C)c3ccc(F)cc3)cs2)c1OC | unichem_smiles | 32 |
COCCC1(CN)CCC(C(C)(C)C)CC1 | unichem_smiles | 18 |
NCC(=O)OC[C@H](N)C(=O)n1cncc1O | unichem_smiles | 25 |
CN(C)c1ccc(NC(=O)C(=O)N(C)C2CCCCCC2)cc1Cl | unichem_smiles | 31 |
CCSCCCC1(N)CCCC1 | unichem_smiles | 9 |
Br.COc1ccc2c(c1)c(-c1nc(-c3c[nH]c4ncccc34)cs1)cn2CCCN1CCOCC1 | unichem_smiles | 43 |
O=C1C=CC2(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OCCOC2C1 | unichem_smiles | 40 |
C=CCOc1nn(Cc2ccc(OC)cc2)cc1C(=O)OC | unichem_smiles | 26 |
C[C@H]1N=C(O)N(c2cc(Cc3nnc(O)c4c3CCCC4)ccc2F)C1=O | unichem_smiles | 42 |
COc1ccc(C(N=N)=NCNC(C)C)cc1 | unichem_smiles | 20 |
CN(CCc1ccccn1)C(=O)CN=C(O)N1CCCC1C(C)(C)O | unichem_smiles | 31 |
Cc1nn(Cc2ccsc2C(O)=NN)c(C)c1C | unichem_smiles | 24 |
Cn1nc(C2CCCOC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N | unichem_smiles | 34 |
CC(=O)[C@@H](C)OC(=O)c1ccc(Br)c([N+](=O)[O-])c1 | unichem_smiles | 35 |
CCCO[C@@H]1CCCN(C(=O)C(O)=Nc2ccc(Oc3ncccn3)cc2C)C1 | unichem_smiles | 39 |
CCOc1cnc(N2C(C(C)C)=NC(CC)=C(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)nc3)C2O)nc1 | unichem_smiles | 57 |
CCC=CCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCC=CCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCC | unichem_smiles | 40 |
CC(C)C(O)=NCCN(C)Cc1nc(=N)[nH]c(=N)[nH]1 | unichem_smiles | 34 |
N=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1F | unichem_smiles | 41 |
CC1(C)CC1N=c1ccc2cc([N+](=O)[O-])ccc2[nH]1 | unichem_smiles | 31 |
CCCN=C(O)CN1CCCC(Cc2nccn2C)C1 | unichem_smiles | 22 |
CCN=C(NCCCN=C(O)c1ccccc1)NCC(C)(C)c1cccs1.I | unichem_smiles | 33 |
Cc1ccc(N=C(O)CSCC(=O)Nc2ccc(CC#N)cc2)c(C)c1 | unichem_smiles | 35 |
CCCc1nnc(N=C(O)CCc2nc(-c3ccc(Cl)cc3)no2)s1 | unichem_smiles | 31 |
OCC1(CN=C(O)C2CCN(c3ccc4nncn4n3)CC2)CCCC1 | unichem_smiles | 31 |
Cc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CN=C(O)c2cccc3ncoc23)c1 | unichem_smiles | 39 |
CCOc1ccc(CC(=O)N2CCCC[C@H]2c2cc(CN(C)C)n(C)n2)cc1 | unichem_smiles | 39 |
COc1cc(-c2ccc3c(c2NC(O)NS(=O)(=O)c2ccn(C(C)(C)C#N)n2)CCO3)ccn1 | unichem_smiles | 50 |
OB(O)c1ccc(CBr)cc1.O[B+]Oc1ccc(CN2C=CC(=C3C=CC(=C4C=CN(Cc5ccc(B(O)O)cc5)C=C4)[N+]=C3)C=C2)cc1.[Br-].[Br-].c1cc(-c2ccc(-c3ccncc3)nc2)ccn1 | unichem_smiles | 104 |
CON=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(=O)C(F)F)CC1(C)CN | unichem_smiles | 57 |
CC(c1nc2ccc(F)cc2[nH]1)N1CCCNCC1 | unichem_smiles | 24 |
CN(C)C(Cc1ccccc1)C(O)=NCCN1C(=O)Cc2ccccc21 | unichem_smiles | 32 |
Cc1ccc(NC/C=C/C(=O)O)c(Br)c1 | unichem_smiles | 24 |
CC(C)c1ccc(OCC(O)=Nc2cccc(N=C(O)c3ccccc3Cl)c2)cc1 | unichem_smiles | 36 |
O=C(O)c1ccccc1Sc1ccc(F)cc1C(=O)O | unichem_smiles | 25 |
Cn1cc(-c2cc(CN3c4cccc5cccc(c45)S3(=O)=O)on2)cn1 | unichem_smiles | 33 |
Cc1cc(C(F)(F)F)nn1-c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1N | unichem_smiles | 38 |
C=CC[SiH2]C(C)(C)N1CCCCC1 | unichem_smiles | 19 |
NCC(O)CN1C(=O)CSc2ccc(N)cc21 | unichem_smiles | 21 |
CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(O[C@@H](C)CC)c2)cc1 | unichem_smiles | 41 |
Clc1cccc(-c2cnc(CN3CCN4CCCC4C3)o2)c1 | unichem_smiles | 25 |
CCCCCCCCCCCCCCCCCCCCCC(O)=NC(CCC)N=C(O)CCCCCCCCCCCCCCCCCCCCC | unichem_smiles | 25 |
CCC[C@H](NCO)C(=O)OC | unichem_smiles | 15 |
OC(=[NH+]CCN1Cc2ccccc2C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 | unichem_smiles | 37 |
CCN=C(O)COc1ccc(NC(=O)c2cc(F)c(C)cc2F)cc1 | unichem_smiles | 33 |
CC(C)=CCNCC(O)c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 25 |
C[C@@H](CN1CCOCC1)NCc1cccc2cccnc12 | unichem_smiles | 21 |
N#Cc1ccc(C=Cc2c3ccccc3c(C=O)c3ccccc23)cc1 | unichem_smiles | 31 |
C=C(N)/C(C)=C(/C)N1CCC(c2nc(-c3ccc(C)c(C)c3)cn2CCN(CC)CC)CC1 | unichem_smiles | 46 |
COc1ccc(Br)cc1C[NH2+]C[C@@H](C)Cn1cccn1 | unichem_smiles | 29 |
Cc1cccc(NCC(O)=N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c1 | unichem_smiles | 36 |
CN1C=CN(C)C1N(C)C1=CCC=CC=C1 | unichem_smiles | 23 |
COc1ccc2nc(C#Cc3nc(-c4ccccc4)cn3C)nc(C)c2c1 | unichem_smiles | 32 |
Cn1ccnc1SC(C#N)C1CCCCC1 | unichem_smiles | 17 |
Cc1ccc(C)c2c(C)c(C(=O)N3CCN=C(O)[C@@H]3C(C)C)[nH]c12 | unichem_smiles | 45 |
CC.CC(=O)CCC=O.CC/C=C1/C(N(CC(O)C(O)C(O)COC)c2ccc(C)cc2C)=NC(O)=NC1O | unichem_smiles | 54 |
Cc1cc(C)cc(N2C[C@H](c3nnc(N=C(O)c4cccc(C)c4[N+](=O)[O-])s3)CC2=O)c1 | unichem_smiles | 56 |
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1 | unichem_smiles | 43 |
Cc1ccc(N2CC(C)NCCC2(C)C)c(C)c1 | unichem_smiles | 25 |
CCCCCCCC/C=C/CCCCCCCCCCCC[C@@H](C)CC(=O)O | unichem_smiles | 23 |
Cc1ccc(NC(O)=NCc2nnc3n2CCC3)cc1-n1cnnn1 | unichem_smiles | 29 |
Cn1cc(C(=N)O)cc1C(=O)N1CCCC1CC(=O)c1ccccc1 | unichem_smiles | 33 |
N#CCOc1cccc(N=C(O)CN=C(O)/C=C/c2ccccc2)c1 | unichem_smiles | 32 |
COC(O)=N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OC(C)C)cc1C | unichem_smiles | 37 |
Cc1ccc([C@@H]2CCCN2C(=O)c2nc(S(C)(=O)=O)n3ccccc23)cc1C | unichem_smiles | 40 |
O=[N+]([O-])c1cc(I(=O)=O)ccc1S(=O)(=O)O | unichem_smiles | 31 |
C=CCON=C(C(O)=NC1C(=O)N2C(C(=O)O)=C(S/C=C/c3ccccn3)CS[C@H]12)c1nc(=N)s[nH]1 | unichem_smiles | 64 |
COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc(O)cc3)[C@H]1CC2 | unichem_smiles | 41 |
COC(=O)c1c(C(=N)O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2 | unichem_smiles | 45 |
COc1ccc2nn(CC(C)(C#N)N=C(S)c3ccccc3C(F)(F)F)nc2c1 | unichem_smiles | 38 |
FC(F)Oc1ccc(-c2cc(CCl)on2)cc1OC(F)F | unichem_smiles | 26 |
CN(C)C(CCC(=N)O)C1CCC2NNC(c3cc4ccccc4o3)C2C1 | unichem_smiles | 34 |
CCC(C)CN(CC)CC(N)CCOC | unichem_smiles | 14 |
CC1=C(C(=O)[N-]c2ccc(SC(F)F)cc2)SC(=C2N=CN=N2)N1 | unichem_smiles | 40 |
CCNS(=O)(=O)c1ccc(C(O)=NN=C(O)C(=O)NC(C)C)cc1 | unichem_smiles | 36 |
CCc1cc(C(=O)N(C)C(C)Cc2ccc(O)cc2)n[nH]1 | unichem_smiles | 34 |
COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)ccc1OCCC(C)C | unichem_smiles | 45 |
CCOC(=O)[C@H]1[C@@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 | unichem_smiles | 48 |
COCC(=O)N1CC[C@]2(COCc3c[nH]c(=NCC4CC4)nc32)C1 | unichem_smiles | 38 |
Cc1cccc(N=C(O)CC2(C(=O)O)CCCCC2)n1 | unichem_smiles | 27 |
COc1cc([C@H](C)[NH2+]Cc2ccc(C)cc2)ccc1OCCO | unichem_smiles | 30 |
CC(C)C(C)C(=O)c1ccccc1OC(F)(F)F | unichem_smiles | 25 |
CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccncc1 | unichem_smiles | 38 |
CC(C)N=C(O)C1N(CCCO)C(=O)C2C(C(O)=NCc3ccccc3)C3OC21CC3Br | unichem_smiles | 44 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.