text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
O=C(N[C@@H](Cc1c(Cl)cccc1Cl)C(=O)O)c1ccc(F)cc1 | unichem_smiles | 36 |
CCOc1cc(/C=C(\C#N)C(O)=NCCCOC)ccc1OCC(O)=Nc1ccccc1 | unichem_smiles | 35 |
CCN1CCN(Cc2ccc(C(O)=Nc3ccc(C)c(N=C(O)c4cnc5cccnn45)c3)cc2C(F)(F)F)CC1 | unichem_smiles | 54 |
OC(CSC1=Nc2ccccc2C1)=NC1(c2ccccc2)CCC1 | unichem_smiles | 26 |
Cn1nc(C(O)=NCC2CC2)cc1Cl | unichem_smiles | 18 |
Cc1nc(N2CCCS(=O)(=O)CC2)ncc1CCl | unichem_smiles | 24 |
COC[C@H](C)n1c(-c2ccc(F)cc2)csc1=Nc1ccc(F)cc1 | unichem_smiles | 35 |
CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CCN(CCc2cccs2)CC1 | unichem_smiles | 33 |
COc1cc([N+](=O)[O-])ccc1N=C(O)CN1CCC(CN2CCCC2)CC1 | unichem_smiles | 33 |
C=CCn1c(CC#N)nnc1N1CCOCC1 | unichem_smiles | 20 |
COc1ccc(N=C(O)C(=O)NCCSc2ccccc2)cc1C | unichem_smiles | 27 |
CCCCS(=O)(=O)N1CCC(C(=O)N(C)OCc2ccccc2)CC1 | unichem_smiles | 31 |
CC(c1ccccc1)N(Cc1ccccc1)n1nnc2ccccc21 | unichem_smiles | 25 |
CC(C)CS(=O)(=O)NNC(O)=NC[C@H]1CCCO1 | unichem_smiles | 27 |
CC(=O)c1ccc(Cc2ccccc2-c2ccccc2C)cc1 | unichem_smiles | 25 |
CCCN=C(O)CN=C(O)C1(c2cccc(F)c2)CCCCC1 | unichem_smiles | 28 |
Cc1cc(N2CCC(Nc3cccc(C(=O)O)n3)CC2)nc(C)n1 | unichem_smiles | 33 |
Cc1cccc(O)c1NS(=O)(=O)c1ccc(OCC(F)F)cc1 | unichem_smiles | 30 |
COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 | unichem_smiles | 51 |
C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC[C@H](O)C3=O)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC[C@H](O)C3=O)c2CN1C(O)=Nc1cc(F)c(F)c(F)c1.OC(=Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.OC1=NCC[C@@H]1O | unichem_smiles | 171 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(O)=NCCc1cccc(OC)c1 | unichem_smiles | 50 |
CCN(C(=O)N=C(O)C(C)=C(C)C(=O)O)C1CCCC1 | unichem_smiles | 33 |
CN1C(=O)CO[C@@H](C(O)=NC2CC(C)(C)NC(C)(C)C2)[C@H]1c1cnn(C)c1 | unichem_smiles | 48 |
N=C(O)CC1CCN(C(=O)C(Oc2ccc(F)c(F)c2)c2ccccc2)CC1 | unichem_smiles | 40 |
Cc1cccc(C(O)=NC(C(O)=Nc2cc(CN(C)C)ccc2C)C(C)C)c1 | unichem_smiles | 38 |
O.O.O.O.O.O.O.O.O.[O-][Br+2]([O-])O.[Sm+3] | unichem_smiles | 35 |
N#C[B]CCCCc1ccc(O)cc1 | unichem_smiles | 15 |
O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCCC1 | unichem_smiles | 32 |
CS(=O)(=O)NC1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 | unichem_smiles | 33 |
CC(C)C[C@H](N=C(O)[C@H](Cc1ccccc1)N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)C(F)(F)F)C(=O)[C@@]1(C)CO1 | unichem_smiles | 74 |
N#Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 | unichem_smiles | 37 |
Cc1ccc(CC(=O)N2CCN(Cc3cccnc3)CC2)cc1 | unichem_smiles | 27 |
CCC(=O)c1c(C)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1C | unichem_smiles | 44 |
Cn1c(C(=O)Nc2ccc(Br)cc2C2NNNN2)cc2cccc(OCC3CCCCO3)c21 | unichem_smiles | 38 |
O=C(O)C1CCCN(S(=O)(=O)NCCn2ccnn2)C1 | unichem_smiles | 29 |
O=c1c(C(F)(F)F)cc(C2CC2)nn1CCC(O)=NCC1CCCCC1 | unichem_smiles | 33 |
Cc1c(C2=CN(c3cc(C(O)=Nc4cccc(C(C)(C)C#[NH+])c4)ccc3C(F)(F)F)NN2)cnn1C | unichem_smiles | 55 |
Cc1ccc(S(=O)(=O)NCCN=C(O)c2cc3ccccc3c(Cl)n2)cc1 | unichem_smiles | 37 |
COc1ccc(C2CC3=NC(C)=C(C(=O)OC(C)C)C(c4ccccc4OC)C3=C(O)C2)cc1OC | unichem_smiles | 49 |
Cc1nn(C)cc1C(=O)N=c1cc(C)n(Cc2ccc(Cl)cc2Cl)[nH]1 | unichem_smiles | 39 |
Cc1cccc(C(O)=N[C@@H](C)C(O)=NN=C(S)Nc2ccc(F)cc2)c1 | unichem_smiles | 39 |
CCN=C(S)N/N=C\c1ccc(/C=N\NC(S)=NCC)cc1 | unichem_smiles | 30 |
C(#Cc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 | unichem_smiles | 25 |
Cc1ccccc1CN=C(O)COc1nnc(-c2ccccc2)o1 | unichem_smiles | 26 |
CC(O)CO.CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC.OCCO | unichem_smiles | 33 |
CCN1C[C@H](C(O)=NCc2cc3c(cc2OC)OCCO3)CCC1=O | unichem_smiles | 33 |
CC(C)CC1N=C(O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O | unichem_smiles | 37 |
O=Cc1cccc(C2CN=C(O)N2)c1 | unichem_smiles | 20 |
Cc1nnc(O)c(C(O)=Nc2ccc(Oc3ncccn3)cc2)c1C | unichem_smiles | 33 |
O=COC(=O)C1CC[C@@H](/C=C/c2ccccc2)C1 | unichem_smiles | 29 |
NS(=O)(=O)c1ccc(C2=CCC=C2c2ccc(C(F)(F)F)cc2)nc1 | unichem_smiles | 36 |
Cc1cc(F)ccc1CNc1ccc(Br)cc1C(F)(F)F | unichem_smiles | 25 |
CC1(C)CN(Cc2ccsc2C(=O)O)CCS1 | unichem_smiles | 23 |
CCCCN=C(O)C1CSCN1C(=O)c1nn(-c2ccccc2)cc1C | unichem_smiles | 31 |
CCCCN=C(O)C(CC)N(Cc1ccc(F)cc1)C(=O)CCC | unichem_smiles | 29 |
COCCN=C(O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(O)[C@@H](N)CS2 | unichem_smiles | 41 |
O=c1n(-c2ccc(OCC(F)(F)C(F)F)cc2)cnn1C[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(F)cc2F)C1 | unichem_smiles | 61 |
CC(CC(O)c1ccco1)NC(O)=NCc1ccc(Oc2ccc(F)cc2)nc1 | unichem_smiles | 33 |
O=C1CC[C@]2(C(O)=N[C@@H]3CCOC4(CCCC4)C3)Sc3ccccc3N12 | unichem_smiles | 39 |
Cc1ccccc1N=C(O)N1CCN(Cc2nc3ccccc3c(=N)[nH]2)CC1 | unichem_smiles | 37 |
Cc1cc(N(C)C2CCS(=O)(=O)C2)nc(N2CCCCC2)n1 | unichem_smiles | 33 |
CCOc1cc(Cc2cncnc2)cc(OCC2CCC2)c1-c1ccc2c(c1)OCO2 | unichem_smiles | 37 |
OC1=Nc2cc(Cl)c(N=C(O)C3CCCOC3c3ccccc3)cc2OC1 | unichem_smiles | 33 |
CCC(CC)(N=C(O)CCc1cccc(C)c1)C(=N)O | unichem_smiles | 26 |
OC(CCSc1ccccn1)=Nc1cccc(-n2cnnn2)c1 | unichem_smiles | 23 |
Cn1ccnc1CN1CCc2n[c]sc2C1 | unichem_smiles | 19 |
CC(C)(C)c1cc(O)nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc12 | unichem_smiles | 44 |
COCCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)OC | unichem_smiles | 27 |
CC(=O)N(C)CC(=O)N1CCN(c2ccnc(C)n2)CC1 | unichem_smiles | 31 |
O=C(O)CCN=C(O)c1ccc(F)nc1 | unichem_smiles | 21 |
CCc1ccc2c(c1)[C@]1(C(O)=N2)C(C(=O)c2ccc3c(c2)OCO3)C(c2cccc([N+](=O)[O-])c2)C2CCCN21 | unichem_smiles | 65 |
O=C(O)c1cnccc1OC1CCCC1 | unichem_smiles | 15 |
CCOCCOCCOC1=CC=C(Cn2c3c(c4ccccc42)CC(C)C=C3)C=CC1 | unichem_smiles | 38 |
CCCCCCCCCCCCCC(CCCC)c1cccc(O)c1 | unichem_smiles | 15 |
COc1ccc(Br)cc1CCC(=O)Nc1ccc(OCCN)cc1.Cl | unichem_smiles | 27 |
Cn1ncc2cc3c(cc2c1=O)OCCO3 | unichem_smiles | 21 |
Cc1ncccc1CC1(N)CCCc2ccccc21 | unichem_smiles | 17 |
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccnc(F)c1)O2 | unichem_smiles | 38 |
CCC(=O)N1CCCC[C@H]1C(O)=Nc1ccc2ncnc(O)c2c1 | unichem_smiles | 32 |
CCOc1cccc(CCN=C(O)NC2CCCC(C(F)(F)F)C2)c1 | unichem_smiles | 30 |
Cc1ccc(N=C(O)C(C)Sc2nnc(O)n2CCc2ccccc2)cc1F | unichem_smiles | 34 |
COc1ccc(Cl)cc1C(=O)[C@@H]1C(=O)C(=O)N(c2nnc(C)s2)[C@@H]1c1cccnc1 | unichem_smiles | 51 |
OC(=Nc1nnc(-c2ccccc2)s1)c1ccc(OC(F)F)c(NC=CN2CCN(C3CC3)CC2)c1 | unichem_smiles | 47 |
CCOC(=O)c1c(OC)nc2ccccc2c1NCc1ccc(OC)cc1 | unichem_smiles | 28 |
CCOC(=O)C1CCCN(C(=O)/C=C(\C)c2cc3c(-c4ccc(F)cc4)coc3cc2OCC)C1 | unichem_smiles | 46 |
Brc1ccc(=NCC2CC2)[nH]c1.CCC | unichem_smiles | 19 |
OC(=Nc1ccc2nc(N3CCOCC3)[nH]c2c1)c1scnc1C1CCCC1 | unichem_smiles | 34 |
Cc1cnc(CCN(C)C(O)=Nc2cccc(C(=N)O)c2)s1 | unichem_smiles | 32 |
Cc1cnc(N2CCC(NS(C)(=O)=O)C2=O)nc1 | unichem_smiles | 26 |
Cc1ccc2c(c1)C1CN(C)CCC1N2C#Cc1ccc(S(N)(=O)=O)s1 | unichem_smiles | 38 |
Cc1noc(C)c1CS(=O)(=O)c1ccc(O)cc1 | unichem_smiles | 26 |
COc1cccc(N=C(O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | unichem_smiles | 44 |
CCC(C)N=C(O)c1ccc(OC)c(N=C(O)C2CCCN2C(=O)C2CCN(CC(O)=Nc3cccc(C(=O)N4CCC(C)CC4)c3C)CC2)c1 | unichem_smiles | 71 |
Cc1csc(CCCCN=C(O)N(C)CCc2ccccc2)n1 | unichem_smiles | 26 |
C=C(Br)CNC1CCCC(SC)C1 | unichem_smiles | 15 |
O=C(NC(c1ccccc1)c1ccccn1)c1nc(N2CCOCC2)ncc1Cl | unichem_smiles | 33 |
COC(=O)/C(N=O)=C1\Nc2cccc(OC)c2OC1=O | unichem_smiles | 28 |
CN1CCC(NC2CCN(CC(F)(F)F)CC2)CC1 | unichem_smiles | 22 |
Cc1cn2c(-c3cnn(CC(=O)N=c4cc[nH]cc4F)c3)cnc2c(=Nc2cc(CN3CCC[C@@H](C)C3)ns2)[nH]1 | unichem_smiles | 64 |
N=C(O)CCN(C(=O)C(=O)NCc1cccc2ccccc12)c1ccccc1 | unichem_smiles | 33 |
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