text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCOC(=O)n1ncn(/N=C/c2ccccc2)c1=S | unichem_smiles | 25 |
Nc1cccc(N=C(O)c2c(F)cccc2C(F)(F)F)c1 | unichem_smiles | 29 |
CCOCCCCNCC1=Cc2cc(Br)ccc2OC1 | unichem_smiles | 18 |
CC(=O)OC(C)=O.CC(O)CO | unichem_smiles | 16 |
N=C(O)[C@H](Cc1c[nH]c2ccccc12)N=C(O)[C@@H](CCCc1ccccc1)CP(=O)(O)[C@@H](Cc1ccccc1)N=C(O)OCc1ccccc1 | unichem_smiles | 71 |
Cc1cc(Cl)cc(C(O)=NN)c1N=C(O)c1c(Br)ccn1-c1ccncc1Cl | unichem_smiles | 40 |
[N-]=[N+]=NNc1cc2cc(Br)c(OCc3ccccc3)cc2cc1OCc1ccccc1 | unichem_smiles | 36 |
O=S1(=O)c2ccccc2N=C(O)N1Cc1cccc(I)c1 | unichem_smiles | 30 |
COC(=N)/C=C(\N)OCc1ccc(Oc2ccnc(C(F)(F)F)c2)c(F)c1 | unichem_smiles | 40 |
Cc1ccncc1-c1nc(-c2c[nH]c(C(=O)O)c2)cs1 | unichem_smiles | 33 |
CCOC(=O)c1cnc(Cl)cc1NC1CC(OC(C)C)C(F)(F)C1 | unichem_smiles | 33 |
CC1(C)CCCCC1N=c1ccc(C#N)c[nH]1 | unichem_smiles | 24 |
C[NH+](C)[C@@H]1CCCN(C(=O)CSCC(=O)N2CCOCC2)C1 | unichem_smiles | 35 |
CCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCCCC/C=C\CCCCCC | unichem_smiles | 62 |
CC(C)CC(=O)N1CC[C@H](CO)[C@H](N=C(O)C2CC2)C1 | unichem_smiles | 36 |
CCc1nc(CN(C)Cc2nnc(C3CC3)n2C)no1 | unichem_smiles | 26 |
CC[C@H](N=C(O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2ccccc2)nc2cc(O)ccc12)c1ccccc1 | unichem_smiles | 56 |
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC(c2ncc(-c3ccccc3)[nH]2)C1 | unichem_smiles | 42 |
O=S(=O)(c1ccccc1)c1nc(-c2ccsc2)oc1NC[C@H]1CCCO1 | unichem_smiles | 35 |
COC(=O)[C@H](Cc1ccc(F)cc1)N=C(O)[C@@H]1CC=CCC1 | unichem_smiles | 35 |
COc1ccc(CC(O)=NCCc2csc(N3CCCC3)n2)cc1OC | unichem_smiles | 27 |
CCCC(=O)CCCCC(=O)N(CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](C)[C@@H](O)[C@@H]1O.CCN=C(O)CCCCC(=O)N(CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)CCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O.CCN=C(O)CCCCCN=C(O)[C@H](CCCCN=C(O)CCCCC(=O)CCCO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)N=... | unichem_smiles | 506 |
CC(Oc1ccccc1C#N)C(O)=NCC(C)c1ccc(F)cc1F | unichem_smiles | 30 |
CC(CC(O)=NC(C(=N)O)C(C)(C)C)Cc1cccc(F)c1 | unichem_smiles | 32 |
C1=CN2C=CC3CCCCC3N2C=C1.O.O.O.O.O.O=C([O-])C(Cc1ccccc1)N=C([O-])c1ccccc1.[Pd+2] | unichem_smiles | 63 |
CC(O)=Nc1nc(C(=O)N2CC(CC(=O)O)C2)cs1 | unichem_smiles | 30 |
Cc1c(NC=C2N=C(c3ccco3)OC2=O)c(=O)n(-c2ccccc2)n1C | unichem_smiles | 40 |
[B+]=[N+]1[CH-]CCCC1 | unichem_smiles | 15 |
Nc1nc2c(nc1Nc1cccc(O)c1)=CC=C=C=2 | unichem_smiles | 26 |
CCc1nnc(O)c(C(O)=Nc2ccc(-c3ncc4n3CCCC4)cc2)c1CC | unichem_smiles | 35 |
Cn1c(C2CC2)nc2cc(C(=O)N3CCCCCC3)ccc21 | unichem_smiles | 27 |
CCCN=C(O)C(C)NCc1ccc(S(N)(=O)=O)o1 | unichem_smiles | 27 |
CCOC(=O)[C@H]1CCCN(C(C)C(O)=NCc2ccccc2F)C1 | unichem_smiles | 32 |
CC(C)(C)c1c(-c2ccc(C(=O)O)c(F)c2)c2c(OCc3ccccc3)cccc2n1-c1ccc(F)cc1 | unichem_smiles | 52 |
N#CC(c1cccc(F)c1)N1CCNCC1=O | unichem_smiles | 21 |
C=CCCOc1nc(CCC)nc(NN)c1C | unichem_smiles | 17 |
Fc1c(F)c(F)c(SC(F)(F)Sc2c(F)c(F)c(F)c(F)c2F)c(F)c1F | unichem_smiles | 47 |
CSCCC(=O)OCC1CCOC1c1ccccc1 | unichem_smiles | 17 |
Cc1[nH]c(-c2ccccc2)c(N)c1C(O)=Nc1cccc(C(F)(F)F)c1 | unichem_smiles | 40 |
Cc1cc(C(N)=O)ccc1CNCC1COCCO1 | unichem_smiles | 20 |
CCCCCCCCCC(=O)CCCCCCC=CC(C(O)=NC(Cc1ccc(OCCC(C)C)cc1)C(=O)O)C(O)(CC(=O)O)C(=O)O | unichem_smiles | 57 |
C[C@H](C#N)CN=C(O)c1c(F)cccc1I | unichem_smiles | 25 |
CC(N/N=C/c1ccc(-c2cc(CN3CCN(CC(=O)O)CC3)on2)cc1)c1ccncc1 | unichem_smiles | 43 |
CCN(CC)CCOc1ncc(CNC2CC2)cc1Cl | unichem_smiles | 21 |
NN1CCC(c2cc3ccccc3o2)CC1 | unichem_smiles | 16 |
COc1ccccc1[C@](C)(OC)C(=O)O | unichem_smiles | 20 |
Cc1sccc1C(=O)N1CC(C)C(C)C1 | unichem_smiles | 23 |
C[C@H]1CC[C@@H](O[C@@H]2C(CO)OCC(O)[C@@H]2O)OC1CO | unichem_smiles | 39 |
Cc1c(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] | unichem_smiles | 40 |
COc1ccc2occ(N(C(=N)O)C(=O)[C@@]3(C(C)(C)C)C[C@H](F)CN3C(=O)O)c2c1 | unichem_smiles | 55 |
CC(C)(CCCSc1ccccc1[N+](=O)[O-])C(=N)N | unichem_smiles | 26 |
NCC1COc2cccc(Br)c2C1=O | unichem_smiles | 16 |
CC(=O)[C@@H](N=C(O)CN(C)Cc1ccc(Cl)c(Cl)c1)C(C)C | unichem_smiles | 38 |
COc1ccc(CN(C)C2CCCN(c3cccnn3)C2)c2ccccc12 | unichem_smiles | 28 |
O=C(N[C@@H]1CCCC[C@H]1O)C(O)=Nc1ccc(COCc2ccccc2)cc1 | unichem_smiles | 39 |
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)c(C)c1 | unichem_smiles | 56 |
O=c1cc(CSc2ncc(-c3ccccc3)o2)occ1O | unichem_smiles | 24 |
COc1ccccc1C1C(COCOc2cccc(-c3ccc4c(c3)OCO4)c2)[C@H](c2ccccc2OC)C1C(=O)O | unichem_smiles | 52 |
COCCN(CCOC)C(=O)c1ccc(F)cc1O | unichem_smiles | 21 |
CC(C)C1NC(C(C)C)N(C2C3C4CCC(C4)C32)C1=O | unichem_smiles | 34 |
CNCC(OCCOCCOC)c1cccc(OC)c1 | unichem_smiles | 17 |
Cl.O=C(C1=C(c2ccccc2)NC=C(C(O)=NO)C1c1ccc([N+](=O)[O-])cc1)N(O)CCCN1CCC(c2ccccc2)(c2ccccc2)CC1 | unichem_smiles | 68 |
CC(C)[C@@H]1CN(C(=O)c2cc[nH+]c(-n3cnnc3)c2)CCCN1CC1CC1 | unichem_smiles | 42 |
CCOC1=C(C#N)C(c2cc(I)c(OC)c(OC)c2)C(C#N)=C(N)O1 | unichem_smiles | 41 |
CCC(C)C(O)=Nc1ccccc1N=C(O)Cc1ccncc1 | unichem_smiles | 27 |
CN(C(=O)CCCN=C(O)c1cccnc1)C1c2ccccc2-c2ccccc21 | unichem_smiles | 33 |
O=C(CSCC(O)=Nc1cccc2c1OCCO2)Nc1ccc(F)cc1 | unichem_smiles | 30 |
CCCCc1noc(CN(C)C2CCCN(c3ccccc3)C2)n1 | unichem_smiles | 26 |
COC(=O)Cc1nc2c(O)cccn2c1N=Nc1c(C)cccc1C | unichem_smiles | 32 |
CCCCOC(=O)c1cc(Oc2ccc3c(C(O)=Nc4cccc(C(F)(F)F)c4)cccc3c2)ccn1 | unichem_smiles | 45 |
Cc1cc(C(=O)N2CC(F)(F)C[C@H]2Cn2cc(C(O)=NCc3ccccc3)nn2)nn1C | unichem_smiles | 47 |
CS(=O)(=O)c1ccc(NC=C(C#N)c2nn[nH]n2)c(Br)c1 | unichem_smiles | 36 |
Cc1cc(F)ccc1S(O)(O)C1(c2cc(N3CCOC[C@@H]3C)nc(-c3ccc(NC(O)=NCCF)cc3)n2)CC1 | unichem_smiles | 56 |
COc1ccc(OC)c(-c2cncnc2Br)c1 | unichem_smiles | 19 |
CCC(C#N)C(O)=Nc1ccc([N+](=O)[O-])cc1Cl | unichem_smiles | 27 |
COc1ccc(CN[C@@H](C)C(=O)OC(C)(C)C)cc1C#N | unichem_smiles | 31 |
C/C=C(\N)C(=O)O[C@@H](C)N(C)Cc1ccccc1 | unichem_smiles | 31 |
CCOC(=O)c1c[nH]c2ccc(Cl)cc2c1=Nc1cccc(Cl)c1 | unichem_smiles | 33 |
CCOc1ccc(/C(=C/SC)N(C=NC(=O)c2ccc(C)nc2)CCCNS(C)=O)cc1 | unichem_smiles | 40 |
Cc1ccccc1N1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)CC1 | unichem_smiles | 43 |
CC(C)(C)OC(=O)C1CCN(c2ccc(NCCC(=O)O)cn2)CC1 | unichem_smiles | 33 |
C#CCCCc1cn(C(=O)OC(C)(C)C)cn1 | unichem_smiles | 22 |
CC(C)OC1CCN([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 | unichem_smiles | 40 |
CCCCCCCC/C=C\CCCCCCCCCCCCC(CCCCCCCCCCCC/C=C\CCCCCCCC)(OP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)C(O)CO | unichem_smiles | 74 |
Cc1cc(C(=O)O[C@@H](C)C(O)=Nc2ccc(C)c(F)c2)c2ccccc2n1 | unichem_smiles | 43 |
Cc1cc(CNCC2(N(C)C)CCCC2)cc(C)c1O | unichem_smiles | 25 |
OC(CCCOc1cccc(Cl)c1Cl)=NCCc1cccnc1 | unichem_smiles | 21 |
Cc1nc(CN2CCOC(c3ccccn3)C2)no1 | unichem_smiles | 21 |
COC(=O)C[C@@]1(C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 | unichem_smiles | 42 |
Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1cc(Cl)cc(Cl)c1 | unichem_smiles | 51 |
Cc1cc(C)c(C(=O)NCCc2ccsc2)[nH]1 | unichem_smiles | 26 |
C=C1CC2CC(C(F)(F)F)=NN2c2cccc(C(C)(C)C3=CC=CC4=C5C(=[F+])N=C(Cl)C=C5CCN34)[n+]21 | unichem_smiles | 62 |
Cc1cccc(C)c1OC[C@H](O)CN=C(O)CCc1cnn(-c2ccccc2)c1 | unichem_smiles | 37 |
CC1(C)c2ccccc2C2Oc3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)cc3C21 | unichem_smiles | 56 |
CC(C)(C)C1CNCCc2cc(C#N)ccc21 | unichem_smiles | 20 |
Cc1cc(-c2cn(CC=O)cn2)ccc1Cl | unichem_smiles | 19 |
Cc1cc(I)ccc1NC1(C)C(C(=N)O)C=C(Br)C(F)(I)C1F | unichem_smiles | 38 |
CCN(C1=NC(=O)N(C)C(=O)C1=N)c1ccccc1 | unichem_smiles | 30 |
CCC(=O)N1CCC[C@@H](C(O)=NC[C@@H](c2ccc(C)o2)N2CCOCC2)C1 | unichem_smiles | 41 |
CCOc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)N2CCc3sccc3C2)cc1 | unichem_smiles | 42 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.