text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCCC[C@@H](C(=O)O)N(O)N[C@@H](CC[C@@H](O)CN)C(=O)O | unichem_smiles | 39 |
C=CC1CC(N=C(C)O)(C(O)=NC(C)(C)C)CC1O[Si](C)(C)C(C)(C)C | unichem_smiles | 43 |
CCCCCCCCCCCCCCC(F)CCOC1OC(CO)C(O)C(O)C1O | unichem_smiles | 25 |
Cc1cc(C)nc(OC(CS(=O)O)C(O)=Nc2ccccc2)n1 | unichem_smiles | 31 |
CCCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(C(=O)NCCCC(=O)O)cc2)s1.COCCN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 | unichem_smiles | 87 |
CC(C)CN=C(O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O | unichem_smiles | 52 |
CN=C(O)N=C(O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 | unichem_smiles | 42 |
COC(=O)CSc1nnc(-c2cc(-c3ccc(F)cc3)[nH]n2)n1N | unichem_smiles | 34 |
CC1CCC(NC(O)=NCc2ccc(Cl)nc2)CC1C | unichem_smiles | 21 |
CCOC(=O)c1c(C)[nH]c(C(=O)NC2C(=O)N3C(C(=O)O)=C(COC(C)=O)CSC23)c1C | unichem_smiles | 56 |
CC(c1ccc(F)cc1)N1C[C@@H](CN)[C@H](c2ccccc2)C1 | unichem_smiles | 33 |
CN(Cc1ccco1)C(=O)CN1CCC(CCN)CC1 | unichem_smiles | 23 |
CCCS(=O)(=O)N1CCN(C(=O)C(c2ccccc2)C(C)C)CC1 | unichem_smiles | 35 |
Cc1ccc(C(C(=O)O)N2CCCNCC2)cn1 | unichem_smiles | 23 |
CC(C)(C)OC(O)=NN.Cc1cc(C(=O)NN)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)NC(C1CCC(CCC(F)(F)F)CC1)=NC2=O.Cc1cc(C(=O)NN=C(O)OC(C)(C)C)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)NC(C1CCC(CCC(F)(F)F)CC1)=NC2=O.Cc1cc(C(=O)O)cc(C)c1/C=C/S(=O)(=O)N1CCC2(CC1)NC(C1CCC(CCC(F)(F)F)CC1)=NC2=O.ClCCl.O=CC(F)(F)F | unichem_smiles | 220 |
Cc1nc[nH]c1CN(CCN(C)C)Cc1cccc2nonc12.O=CO.O=CO | unichem_smiles | 35 |
Cc1ccccc1N=C(O)COc1ccccc1[C@H]1c2sc(O)nc2S[C@H]2[C@@H]3C[C@H]([C@H]4C(=O)N([C@@H](CC(C)C)C(=O)O)C(=O)[C@H]34)[C@H]12 | unichem_smiles | 97 |
CCC1CCCCN1C(=O)C1CCCN(C(=O)N(C)C)C1 | unichem_smiles | 28 |
CCN=C(NCCC(=O)N(CC)CC)NCCC1=CCCCC1.I | unichem_smiles | 26 |
CC(C)(C)C#CCN1CCCCC1CNC1CC1 | unichem_smiles | 19 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O | unichem_smiles | 120 |
Cc1cn(-c2ccc(=Nc3cccc4c3nc(Cl)n4C)[nH]c2O)cn1.[Y] | unichem_smiles | 37 |
COC(=O)N(CC(=O)c1ccccc1)C(C(=N)O)C(C)C | unichem_smiles | 33 |
OC(=Nc1cccc(Cl)c1)c1cc2occc2n1-c1ccccc1 | unichem_smiles | 28 |
O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 | unichem_smiles | 58 |
CCO[C@H]1C[C@@H]1C(O)=NC1(c2noc(C3CC3)n2)CCCC1 | unichem_smiles | 37 |
CCCCC(O)CCO.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O | unichem_smiles | 55 |
C.CC(O)=NC(CC(=O)c1ccccc1)C(=O)O | unichem_smiles | 25 |
O=C1OCCC12CCCN2Cc1cnn(Cc2ccccc2)c1 | unichem_smiles | 25 |
CCCN=C(O)c1ccc(Cl)cc1N=C(O)c1cn(CC)c2ccccc12 | unichem_smiles | 32 |
Cc1c(C(=O)n2ccccc2=NC(C)C)nnn1-c1ccc(Cl)cc1F | unichem_smiles | 35 |
BrCC1(CCC2CO2)CCCO1 | unichem_smiles | 12 |
CCn1c(NC(=O)c2cc(C)no2)nc2cc(C)ccc21 | unichem_smiles | 27 |
COc1ccc(-[n+]2c(SCC(O)=NN=Cc3ccc([O-])c(OC)c3)n[nH]c2-c2ccc(C(C)(C)C)cc2)cc1 | unichem_smiles | 59 |
O=S(=O)(c1cc(C(O)=NN=C(O)COc2ccccc2F)ccc1F)N1CCOCC1 | unichem_smiles | 39 |
CCc1cccc2c1[NH2+]C=C2C(=O)CN1CCN(CC(O)=[NH+]C2CC2)CC1 | unichem_smiles | 41 |
C[C@H](Nc1ccc(F)c(F)c1)c1nc2ccccc2n1C | unichem_smiles | 30 |
O=C(O)C1=CC(=C2C=CC=N2)ON1 | unichem_smiles | 23 |
COc1cccc(CNS(=O)(=O)c2ccc(N(CC(=O)O)Cc3cccc(OC)c3)cc2)c1 | unichem_smiles | 42 |
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccc(O)c(O)c1)C2 | unichem_smiles | 43 |
COCCN=c1cc(C)[nH]c2ccc(C)cc12.Cl | unichem_smiles | 23 |
CC(C)C1CCC(C)(OC(=O)C(O)[C@H](O)C(=O)OC2(C)CCC(C(C)C)CC2)CC1 | unichem_smiles | 48 |
CC(N=C(O)C(C(=N)NO)C(C)C)c1nccs1 | unichem_smiles | 29 |
CC(C)[C@H](Sc1ccccc1)C(O)=Nc1cnn(CCO)c1 | unichem_smiles | 29 |
Cc1ccc(CCNCC(O)COc2ccc(O)cc2)cc1 | unichem_smiles | 23 |
CCCCc1ccc(CN(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | unichem_smiles | 41 |
[N-]=[N+]=NCS(=O)(=O)c1ccc(Nc2ccccc2)cc1 | unichem_smiles | 30 |
O=CC1CCN(CCC2CCOC2)CC1 | unichem_smiles | 15 |
CCCCCCCCCCCCCCCCCCN(C)C(=O)C=C(COc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 54 |
CNC(=O)c1ccc(-c2cc(F)c(Nc3ncc(Cl)c(=NC4CCCCC4)[nH]3)cc2C)cc1 | unichem_smiles | 46 |
COc1cc(CCCN(Cc2cnc(C)n2C)c2ccc(C#N)cc2)ccc1-c1ccccc1C(=N)O | unichem_smiles | 45 |
CN1CCC2(CC1)CN(C(=O)c1n[nH]c3c1CN(C)CC3)CCCN2C | unichem_smiles | 37 |
C=C1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)N=C(O)[C@@H]2CCCN(N2)C(=O)[C@H](C)N=C(O)[C@H](C(C)C)O1.CCC[C@@H]1C/C=C/c2cc3cc(ccc3cn2)[C@@H](C)N=C(O)[C@@H]2CCCN(N2)C(=O)[C@H](C)N=C(O)[C@H](C(C)C)OC1=O.CCC[C@@H]1CCCc2cc3cc(ccc3cn2)[C@@H](C)N=C(O)[C@@H]2CCCN(N2)C(=O)[C@H](C)N=C(O)[C@H](C(C)C)OC1=O.CO[C@@H]1/C=C/c2cc3cc(ccc3cn2)[C@@H... | unichem_smiles | 311 |
N#CN=C(O)c1ccc(Br)c(O)c1 | unichem_smiles | 20 |
CCCCOc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1 | unichem_smiles | 30 |
CCCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCCCCCC)cc3)n(CCO)n2)cc1 | unichem_smiles | 32 |
C=C(NN=C(O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(OC)cc1 | unichem_smiles | 42 |
O=C(O)c1ccc(C(=O)c2ccc3nc[nH]c3c2)cc1 | unichem_smiles | 31 |
CC(C)CN(Cc1cnn(C)c1)c1c(O)nc(=O)n(CC(C)C)c1N | unichem_smiles | 39 |
O=C(CCn1cncn1)N1CCC(Nc2ccc(F)cc2)CC1 | unichem_smiles | 28 |
O=C(O)O.[O].[Zr] | unichem_smiles | 13 |
COc1cc(/C=C/CN)c(OC)c(Br)c1C | unichem_smiles | 22 |
C.CC.CCN(CC)CC#CC12C=C(C#N)C(=O)C=C1C(C)(/C=C(\C)C#N)C(C(C)C=O)CC2 | unichem_smiles | 57 |
OC(Cc1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12)=NC1CC1 | unichem_smiles | 34 |
COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3cccc(C)c3)cc1)NC(C)(C)C2 | unichem_smiles | 49 |
CC(C)(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(Cl)s1 | unichem_smiles | 36 |
Cc1cc(C(=O)NN=C(O)c2cccnc2)c2c(C)nn(C)c2n1 | unichem_smiles | 36 |
C=COCCCCCCOc1ccc(-c2ccc(-c3ccc(-c4ccc(OCCCCCCOC=C)cc4)cn3)cc2)cc1 | unichem_smiles | 40 |
O=C(O)CC1C(CC(=O)O)C(CC(=O)O)C(CC(=O)O)C(CC(=O)O)C1CC(=O)O | unichem_smiles | 52 |
O=C(O)c1cccnc1N1CCS(=O)(=O)CC1 | unichem_smiles | 24 |
O=C(C1CCCCCC1)N1CCC(O)C1 | unichem_smiles | 18 |
CC(C)C(CNC(O)=NCc1ccco1)Nc1ccccc1 | unichem_smiles | 24 |
CCOc1ccc(CN2CCC(c3ccn(C)c(=O)c3)CC2)cc1OC.O=CO | unichem_smiles | 35 |
C/C(=N\N)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | unichem_smiles | 30 |
O=C(O)COc1cc(F)c(Cl)cc1F | unichem_smiles | 20 |
CO[Si](CCC[n+]1ccc(C=Cc2ccccc2)cc1)(OC)OC | unichem_smiles | 27 |
Cc1cccc(NC2=C(Sc3nc(C)cc(C)c3C#N)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 | unichem_smiles | 53 |
O=C(OCC1CCC([N+](=O)[O-])CC1)OC1C(=O)N(CCCCN2CCN(C3NCCCN3)CC2)C(=O)CC12CCCC2 | unichem_smiles | 55 |
Cc1ccccc1-c1noc(C(C)N2CCC3C(CCC(=O)N3C3CC3)C2)n1 | unichem_smiles | 39 |
CCN=C(NCCN1CCCC(C)C1)N1CCC(OCCCOC)CC1 | unichem_smiles | 26 |
Cc1ccc(C(O)=Nc2ccc(C(=O)O)cn2)c(O)n1 | unichem_smiles | 30 |
CCOc1ccc(N2C(=O)C(SCCO)=C(c3ccc(Cl)cc3)C2=O)cc1 | unichem_smiles | 37 |
O=C(NCC(O)c1ccc(Cl)cc1)C(O)=Nc1ccc2c(c1)COC2 | unichem_smiles | 35 |
COc1ccccc1C(O)=C1C(=O)C(=O)N(CCCn2ccnc2)C1c1cccs1 | unichem_smiles | 38 |
CC(C)(O)C(F)CN=C(O)c1c[nH]c(C2=C3N=CC(C#N)C=C3N=N2)cc1=N[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 | unichem_smiles | 75 |
OC(=NC1CCC(O)CC1)[C@@H](Oc1ccc(Br)cc1)c1ccccc1 | unichem_smiles | 31 |
COC1CCN(C(O)=Nc2ccc(C(=O)O)c(Cl)c2)CC1 | unichem_smiles | 31 |
CCCC(=O)N1CCSCC1C#N | unichem_smiles | 14 |
N=c1ccc(N=C(O)C2Cc3ccccc32)c[nH]1 | unichem_smiles | 27 |
CCC(C)CC(=O)N1CCN(C)C(C)(C)C1 | unichem_smiles | 24 |
CCN(CC(O)=NC1(C#[NH+])CCCCCC1)Cc1cccc(Cl)c1 | unichem_smiles | 29 |
COc1ccc(NC(=O)C(C)S(=O)Cc2cccc(F)c2)cc1 | unichem_smiles | 31 |
C[C@@H](NC(=O)C(=O)Nc1cccc(C#N)c1)c1ccc2c(c1)CCCC2 | unichem_smiles | 39 |
C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)(C)c1ccccc1OC | unichem_smiles | 32 |
Cc1ccc2c(c1C)CC1C3CC(C(OC(=O)c4ccccc4)C3OC(=O)c3ccccc3)C21 | unichem_smiles | 45 |
NC(CN=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CC1 | unichem_smiles | 35 |
C/C(=N\N=C(O)[C@H]1C[C@H]1c1ccccc1)c1ccc(CC(C)C)cc1 | unichem_smiles | 43 |
CCOC(=O)/C=C/c1ccc2c(c1)CCC2N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C | unichem_smiles | 61 |
COc1ccc(N=C(S)N2C[C@H]3C[C@@]3(c3ccc(F)cc3Cl)C2)cn1 | unichem_smiles | 42 |
COc1ccc(CN=C(O)OC23CC4CC(CC(C4)C2)C3)cc1 | unichem_smiles | 30 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.