text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
COc1ccc(C(=O)N2CCCC(C)c3ccccc32)c(OC)c1OC | unichem_smiles | 29 |
CN=c1nc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c(N)[nH]1 | unichem_smiles | 38 |
COCCN=c1scc(-c2ccco2)n1NC=C1C=Nc2ccc(Br)cc21 | unichem_smiles | 32 |
Cc1ccccc1-n1ncc(C(O)=NCC2CNC2)c1C(F)(F)F.Cl | unichem_smiles | 34 |
CNC=C1C(=S)N(c2ccccc2)NC1C | unichem_smiles | 21 |
OC[C@@H](O)[C@H]1NCCc2cc(F)cc(Br)c21 | unichem_smiles | 27 |
N#Cc1ccc(N2C(=O)C[C@@H](NCc3ccco3)C2=O)cc1 | unichem_smiles | 34 |
C[C@@H]1CN(c2ccc(CN=C(O)c3ccc(F)c(F)c3)cc2F)C[C@@H](C)O1 | unichem_smiles | 46 |
C=C(C)C1(C=CC)CCC(Nc2ncc(C(=O)OCCC)cc2CC)(c2ccccc2)CC1 | unichem_smiles | 41 |
C[C@@H](Cc1cccs1)N=C(O)CC1CCCC1 | unichem_smiles | 23 |
O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1snnc1C(F)F | unichem_smiles | 31 |
O=C(C1CCc2ccccc2O1)N1CCC(c2nccn2CC2CC2)CC1 | unichem_smiles | 32 |
CC(O)=NCC(O)=N[C@H](C=O)Cn1cc(-c2cc(C(=O)O)cc(-c3cn(C[C@H](N)C(O)=NCC(O)=NCC(=N)O)nn3)c2)nn1 | unichem_smiles | 74 |
CN=C(NCCc1nc2ccccc2[nH]1)NCC1CCCS1 | unichem_smiles | 25 |
N#CC1=CCC(N(Cc2ccc(O)cc2)n2cnnc2)C=C1N1CCCCCC1 | unichem_smiles | 34 |
Cc1cc(NC(=O)c2c(C)c(C(=O)C(O)=NCC3(N)CCCCC3)n(C)c2C)ccc1F | unichem_smiles | 48 |
OCC=C(O)C(O)Cn1cnc2c(NCC3CCC(O)CC3)ncnc21 | unichem_smiles | 32 |
CS(=O)(=O)NCc1nnc2ccc(-c3ccsc3)nn12 | unichem_smiles | 24 |
CCC(O)=NC.CCCNC.CCCNC.CCCO | unichem_smiles | 14 |
Cc1cc(C)c([C@H](C)N=C(O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1C | unichem_smiles | 49 |
Cc1cccc(Oc2cc(C(=O)O)nc3ccccc23)c1 | unichem_smiles | 25 |
CC(C)N(C(=O)c1ccccc1[C@H](C)[C@H](Nc1ccccn1)c1ccccc1)C(C)C | unichem_smiles | 45 |
Cc1cc(C(=O)CCOC2CC(c3ccc(Cl)cc3)SC(c3ccc(Cl)cc3)C2)cc(C(C)(C)C)c1O | unichem_smiles | 51 |
CCOC(=O)CC(O)c1c(-c2ccc(Br)cc2)nc2sc3ccccc3n12 | unichem_smiles | 32 |
CC(C)[C@H](N=C(O)CCN1C(=O)C=CC1=O)C(=O)C[C@@H](CCCNC(=N)O)C(=O)Nc1ccc(COC(O)=NCC(O)CNc2ncnc3c2ncn3[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](F)[C@H](n5ccc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@H]3[C@H]2F)cc1 | unichem_smiles | 160 |
CCC(=O)CCCCCC(N=C(O)CC)C(=O)CC(CCCCN=C(O)CSCC(N=C(C)O)C(O)=NC(CCCCCC(=O)CCN1C(=O)C=CC1=O)C(O)=NC(CSCC(O)=NCCCCC(N=C(O)C(CCCCN=C(O)CC)N=C(O)CC)C(=N)O)C(=N)O)C(=N)O | unichem_smiles | 128 |
CCc1noc(CC)c1CN=C(O)N1CCc2c(Br)cccc2C1 | unichem_smiles | 29 |
C=CCS[C@@]1(Br)NC(C)(C)C[C@@]2(C)OCCN21 | unichem_smiles | 31 |
c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6c6oc(-c7ccccc7)c(-c7ccccc7)c6c5c4)cc3)cc2)cc1 | unichem_smiles | 69 |
CC(C)c1ccccc1N=C(O)/C(C#N)=C\Nc1ccccc1Sc1ccccc1 | unichem_smiles | 34 |
COC(=O)c1ccsc1N=C(O)c1sc(COc2ccc(F)cc2)nc1C | unichem_smiles | 34 |
CC(O)=Nc1ccc(C(=O)C(C)OC(=O)C(=Cc2cccs2)n2nnnc2-c2ccccc2)cc1 | unichem_smiles | 47 |
CN(N)/C(=C\CC1CC1)c1ccc(C(=N)O)cc1F | unichem_smiles | 28 |
Cc1cc2[nH]cc([C@@H](CN)C(C)C)c2cc1C | unichem_smiles | 28 |
Cl.OC(CCC1CCCC1)=Nc1ccc2c(c1F)CCNC2 | unichem_smiles | 23 |
CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)C2CCCO2)CC1 | unichem_smiles | 36 |
CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N2CCC[C@@H](C(=O)O)C2)c1O)c1ccccc1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(Br)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1ccc(C(F)(F)F)c(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.CC[C@@H](NC1=NS(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1.Cc1cc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O... | unichem_smiles | 276 |
CC.CCN=C1C=CC(=C(C=C(c2ccccc2)c2ccc(N(C)C)cc2)c2ccccc2)C=C1 | unichem_smiles | 47 |
Cc1cnc(NC(O)=NC2C3CCOC3C23CCCC3)s1 | unichem_smiles | 24 |
Cc1cccc(NC(=O)C(=O)Nc2cccnc2Cl)c1 | unichem_smiles | 25 |
O=[N+]([O-])c1cccc(-n2nc(C3CC3)cc2Cl)c1 | unichem_smiles | 28 |
COc1cccc([NH+]=C(O)CN(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)c1 | unichem_smiles | 39 |
CC1OC=CC=C1/N=N/c1cc(N=C(O)Cc2c(F)cccc2F)ccc1OCCN | unichem_smiles | 39 |
NC1(c2nc3c(F)cccc3n2C2CC2)CCCCC1 | unichem_smiles | 23 |
Cc1ncc(-c2ccc(NC(=O)C(C)c3cccnc3)cc2)o1 | unichem_smiles | 30 |
C[C@@H](C(=N)O)S(=O)(=O)c1ncccc1N | unichem_smiles | 27 |
Cc1cc(C(=O)N(Cc2nccn2C)C2CC2)ccc1F | unichem_smiles | 29 |
NCc1cccc(N=C(O)Nc2ccc(C(F)(F)F)cc2)c1 | unichem_smiles | 29 |
CCC(C)C=C(C(C)C)C(C)C | unichem_smiles | 19 |
CCCCS(=O)(=O)N=C([O-])[C@H]1CCCN(c2ncccn2)C1 | unichem_smiles | 34 |
CC(O)=NC(C(O)=NCc1ccccc1)c1nccs1 | unichem_smiles | 23 |
CC[C@H](C)[C@H](N)C(O)=N[C@@H](CCCCN)C(O)=N[C@H](C(O)=N[C@H](C(=O)N1CCC[C@H]1C(O)=N[C@H](C(O)=N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCSC)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(O)=N[C@H](C(O)=N[C@@H](CC(=N)O)C(=O)N1CCC[C@H]1... | unichem_smiles | 330 |
CC(C)(C)CC(CO)N=C(O)CCCc1ccc(Br)s1 | unichem_smiles | 25 |
CCN=C(O)CN=C(O)NC1CC2CCC1O2 | unichem_smiles | 21 |
COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(c4ncnc5ccccc45)CC3)c[nH]c12 | unichem_smiles | 46 |
CCC(C)ON=C(N)c1ccc(C)cn1 | unichem_smiles | 18 |
C1=C[NH2+]C(c2ccc(C3=N/C(=C4\C=CC(c5ccc(C6=CC=C[NH2+]6)[nH]5)=N4)C=C3)[nH]2)=C1 | unichem_smiles | 67 |
Cl.NC(CO)C(=O)OCC(c1ccccc1)N(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)C1CCCCC1 | unichem_smiles | 55 |
NCCCCC(N=C(O)CN)C(O)=NC(Cc1c[nH]c2ccccc12)C(O)=NC(CO)C(=O)O | unichem_smiles | 46 |
O=C(N=c1[nH][nH]c2ccc([N+](=O)[O-])cc12)C1COCCO1 | unichem_smiles | 37 |
CC(C)CCn1ccc(=NC(=O)N2CCCC(CC(=N)O)C2)[nH]1 | unichem_smiles | 33 |
CCNC1COCC1C(=O)c1cccc(C)c1 | unichem_smiles | 19 |
O=P1(c2ccccc2)c2ccccc2C2(c3ccccc3-n3c4ccccc4c4cccc2c43)c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4c(c3)Sc3ccccc3C43c4ccccc4-n4c5ccccc5c5cccc3c54)nc(-c3ccccc3)n2)cc1 | unichem_smiles | 183 |
O=c1c[n+](-c2ccc(C3=Nc4ccccc4SC(c4ccccc4)C3)cc2)[n-]o1 | unichem_smiles | 42 |
CN=C(NCC1(O)CCSC1)N1CCOC(c2cnn(C)c2)C1 | unichem_smiles | 31 |
CCCCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)CCCCCCCCCCCCCCCCCCCC | unichem_smiles | 17 |
COc1ccc(CNc2ccsc2)cc1C#N | unichem_smiles | 17 |
Cc1ccc(N2C(=O)CC(N3C(=O)S/C(=C/c4ccc(Cl)cc4)C3=O)C2=O)cc1 | unichem_smiles | 49 |
CCCCO[C@@H]1C[C@@H](C(O)=NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 | unichem_smiles | 61 |
CCSCC(C)NC(=O)c1cc(Cl)ccn1 | unichem_smiles | 20 |
N=c1[nH]onc1C(N)=NN/C=C1\C=CC(=O)C=C1O | unichem_smiles | 34 |
CN=C1CS(=O)(=O)N(c2cccc(F)c2)[C@@]12CCN(C(=O)OCc1ccccc1)[C@@H](C)C2 | unichem_smiles | 50 |
CCc1noc2ncc(S(=O)(=O)N[C@@H]3CCO[C@H](c4cncn4C)C3)cc12 | unichem_smiles | 44 |
C#CCOc1cccc(C)c1OCC#C | unichem_smiles | 16 |
Cc1ccc(-c2nc(C)c(C(C)OC(=O)Cn3cc(C4CC4)nn3)s2)cc1 | unichem_smiles | 40 |
C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1cc(NC(=N)N2CCOCC2)on1 | unichem_smiles | 41 |
CCN=c1[nH]ccn1Cc1csc(CNc2c(OC)cc(Cl)cc2C(O)=Nc2ccc(Cl)cn2)c1Cl | unichem_smiles | 48 |
COc1ccccc1CCN=C(O)[C@H]1CCCN(C(=O)c2cccs2)C1 | unichem_smiles | 34 |
Fc1ccc(CNCCOc2ccccc2)cc1Br | unichem_smiles | 16 |
C#CC/N=C1\C=C([O-])C[C@@H](CC(C)C)C1 | unichem_smiles | 30 |
CCCN1CCN(CCOc2ccc(Nc3nccc(N(Cc4cc(OC)ccc4OC)C(=O)Oc4ccccc4COC)n3)cc2F)CC1 | unichem_smiles | 54 |
Cc1c(/C(=N/OC(=O)c2cccc(C(F)(F)F)c2)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 | unichem_smiles | 67 |
OCCC1CCN(Cc2ccc(-c3cc(Cl)c4cn(C(C(O)=Nc5nccs5)c5ncn6c5CC(F)C6)nc4c3Cl)cc2)CC1 | unichem_smiles | 60 |
CCOc1ccc([C@H](O)CN2CCC([NH+]=C(O)OC(C)(C)C)CC2)cc1 | unichem_smiles | 36 |
C[C@H](CN)Cc1csnn1 | unichem_smiles | 14 |
CCOc1ccc([C@@H]2[C@@H](C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCOC)cc1OC | unichem_smiles | 49 |
CCOC(=O)c1ccc(Cl)c(N=C(O)CSc2nnc(-c3cccc(C)c3)n2CC)c1 | unichem_smiles | 41 |
Cc1cccc2sc(CO)c(CBr)c12 | unichem_smiles | 16 |
CSc1nc(C)c(CCC(=O)N2CCCC2c2cccc(C)n2)c(C)n1 | unichem_smiles | 33 |
Fc1c(F)c(F)c(C2=C3C=CC(=N3)C(c3c(F)c(F)c(F)c(F)c3F)=c3ccc([nH]3)=C(c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)C(c3ccc(C4=C5C=CC(=N5)C(c5c(F)c(F)c(F)c(F)c5F)=c5ccc([nH]5)=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)C(c5c(F)c(F)c(F)c(F)c5F)=C5C=CC(=N5)C(c5c(F)c(F)c(F)c(F)c5F)=c5ccc([nH]5)=C(c5c(F)c(F)c(F)c(F)c5F)c5ccc4[nH]5)cc3)=C3C=CC(=... | unichem_smiles | 364 |
CC(C)n1cc(CN2C[C@H]3[C@@H](CNC(=O)c4ccnn4C)CO[C@H]3C2)cn1 | unichem_smiles | 47 |
CCCC(O)CCCS(=O)(=O)CC | unichem_smiles | 14 |
CC(C)(C)OC(=O)CCSc1ccc(S(=O)(=O)N2CCCCC2)cn1 | unichem_smiles | 32 |
C=C1c2cc(C(C)C)c(C)cc2CN1C | unichem_smiles | 23 |
O=C(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 | unichem_smiles | 38 |
CCOc1cc(OCC)cc(C(O)=NC2CCCN(C(O)=NCc3ccccc3F)C2)c1 | unichem_smiles | 37 |
COC(=O)c1ccccc1NC(C)C1CCCCC1 | unichem_smiles | 20 |
CCN1CN(S(=O)(=O)c2cccs2)CC1=O | unichem_smiles | 23 |
C[C@H]1C(O)=C(C#N)C[C@@]2(C)c3c(c(-c4ccncn4)nn3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC[C@H]12 | unichem_smiles | 73 |
CCc1c[nH]c2nc3ccccc3c-2n1 | unichem_smiles | 20 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.