text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CC1(Sc2ccccc2)C(=O)N2C(C(=O)O)=CCS[C@H]21.N=C(N)S | unichem_smiles | 41 |
NC1CCC=CN(Cc2ccccc2)C1=O | unichem_smiles | 17 |
CC(=O)N1CCc2c(sc3nc(SCC(O)=Nc4cccc(C)c4)n(Cc4ccccc4)c(=O)c23)C1 | unichem_smiles | 50 |
CN1C(=O)[C@]([C@@H](C[N+](=O)[O-])N2C(=O)c3ccccc3C2=O)(n2cccc2)c2c(Cl)cccc21 | unichem_smiles | 56 |
Cc1noc(C)c1CSc1ccccc1C(O)=NS(=O)(=O)CC(C)C | unichem_smiles | 33 |
O=c1nc(O)c(C=c2ccc3c(c2)-c2ccccc2N=3)c(O)n1-c1ccc(F)cc1 | unichem_smiles | 45 |
OC(=Nc1ccc(-n2cncn2)c(F)c1)N1CCC[C@H](c2ccccc2)CC1 | unichem_smiles | 38 |
OCC1CCCN1Cc1cc(O)cc(F)c1 | unichem_smiles | 19 |
CC(Cc1ccc(Cl)cc1)(CS(=O)(=O)[O-])N(Cl)Cl | unichem_smiles | 28 |
CC(=O)COc1cccc(C(=O)CCC2=CCc3ccccc32)c1 | unichem_smiles | 27 |
Cc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Cl | unichem_smiles | 31 |
Cc1ccccc1OCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl | unichem_smiles | 26 |
O=C(Nc1ccc(N2CCCC2)nc1)C(=O)N[C@H]1CCc2cc(Cl)ccc21 | unichem_smiles | 38 |
CCCCCCCCCCCCCCCCCCCC/C=C/CC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)N=C(O)CCCCCCCCCCCCCCCCCCC | unichem_smiles | 84 |
CCC(OCCCOCCCOCCCOC(CC)c1ccc(C)s1)C1=CCC(C)S1 | unichem_smiles | 30 |
CCNc1ncc(S(=O)(=O)N2CCOCC2)cc1C(F)(F)F | unichem_smiles | 31 |
C[C@@H]1CN(c2ccccc2F)C[C@H](CN)O1 | unichem_smiles | 26 |
OC(=NCc1ccccc1OCc1ccccc1)c1cc2occ(-c3cccnc3)c2[nH]1 | unichem_smiles | 35 |
COc1cc(/C=C/C(O)=NC(C)c2ccc(Br)cc2)cc(OC)c1OC | unichem_smiles | 33 |
CCOCCOCC(O)=Nc1cccc(C(=N)S)c1 | unichem_smiles | 22 |
CCNc1nc(CSCCN(C)C)nc2c1cnn2C | unichem_smiles | 22 |
Cc1c(Br)c(Br)c(Br)c2c1NC(N(C)C)N2 | unichem_smiles | 29 |
Cc1ccc2ncc(C(=O)N3CCSC[C@H]3C)c(=O)n2c1 | unichem_smiles | 34 |
CCC[C@@H]1OCC[C@H]1C=O | unichem_smiles | 18 |
C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H](C)O1 | unichem_smiles | 54 |
CCC(C)C1N=C(O)C(CC)N(Cc2ncnn2C)C1=O | unichem_smiles | 30 |
[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C(C)C)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccnc(C)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cncc4cccc(Cl)c24)C3)CCN1C(=O)C(=C)F | unichem_smiles | 213 |
CC(SCCN=[N+]=[N-])C(C)(C)C | unichem_smiles | 20 |
CC(O)CNCCNCC(C)c1ccccc1.Cl.Cl | unichem_smiles | 20 |
COc1ccc2c3c1O[C@@H]1[C@]4(OC)CC[C@]5(C[C@H]4C(N[C@H](C(=N)O)c4ccccc4)c4ccccc4)[C@H](C2)N(CC2CC2)CC[C@@]315 | unichem_smiles | 85 |
CC1(C)C=CCCN1.CC1(C)C=CCCN1.CC1(C)C=CNCC1.CC1(C)CC=CCN1.CC1(C)CNCCN1.CC1(C)NCCCN1 | unichem_smiles | 63 |
c1ccc(OCc2n[nH]c(CNCc3cccc4[nH]ccc34)n2)cc1 | unichem_smiles | 32 |
OC(=NCC(O)c1ccc(Cl)c(F)c1)Nc1cccc(CC(F)(F)F)c1 | unichem_smiles | 36 |
C[Si](C)(C)C(F)(F)F.Cc1ccc([C@H]2Oc3ccc(C)cc3[C@H]3CC(=O)C[C@H]32)cc1 | unichem_smiles | 56 |
Cl.Cn1c(=O)c2c(nc(N3CCCC(N)C3)n2Cc2ccccc2Cl)c2ccc(C(=O)O)c(O)c21 | unichem_smiles | 52 |
Cl.NC1CC2CCCC(C1)C2N=C(O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 | unichem_smiles | 44 |
CCC(C)N=C(O)c1ccc(Cl)c(N=C(O)C(C)N2CCC(C(O)=NCCC(=O)Nc3ccc(NC(=O)c4ccccc4C)c(C)c3)CC2)c1 | unichem_smiles | 71 |
N#Cc1cccc(-c2cc3c4cccnc4c(-c4ccc5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)ccc5c4)cc3c3ccccc23)c1 | unichem_smiles | 67 |
Cc1c(C(=O)OCc2ncc(Cl)n2C)cnn1C(C)(C)C | unichem_smiles | 32 |
CCCN(CC1CC1)S(=O)(=O)C1=Cc2ccccc2CC1 | unichem_smiles | 27 |
NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C2(O)c2ccc3c(c2)N=C(O)CO3)c1 | unichem_smiles | 49 |
CC(C)(C)N1CCc2ccccc2[C@H]1C(F)F | unichem_smiles | 25 |
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=NC(CO)C(O)CCCCCCCCCCCCC | unichem_smiles | 34 |
NNc1c(COCCCC(F)(F)F)cccc1[N+](=O)[O-] | unichem_smiles | 26 |
OC1CC2=CC(F)CC=C2N1 | unichem_smiles | 15 |
CC(C)n1c(=O)nc(O)c2c1nc(-c1cccnc1OCC1CC1)n2Cc1ccc(C(F)(F)F)cc1 | unichem_smiles | 49 |
CC[C@@H](Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(O)=NC[C@H]1CCCO1 | unichem_smiles | 48 |
Cc1c(-n2nc(CC(F)(F)F)cc2Br)c(Cl)nn1-c1c(C(F)(F)C(F)(F)F)nn(N=[N+]=[N-])c1Br | unichem_smiles | 60 |
CC(C)(C)C(=O)N1CCN(C(=O)C(=O)c2ccc3c(c2)CCC3)CC1 | unichem_smiles | 40 |
COc1cc(C=C2N=C(c3ccc(N=C(C)O)cc3)OC2=O)cc(Br)c1OCc1cccc(C)c1 | unichem_smiles | 48 |
CC1(C)c2cc(C(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2cc3oc4ccccc4c3cc21.CC1(C)c2ccccc2-c2ccc3sc4c(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cccc4c3c21.CC1(C)c2ccccc2-c2ccc3sc4c(N(c5ccccc5)c5ccc(-c6ccc7ccccc7c6)cc5)cccc4c3c21 | unichem_smiles | 158 |
CCCS(=O)(=O)N1CCCC1C(O)=NC(CO)CC(C)(C)C | unichem_smiles | 28 |
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(O)=NC(C)C(=O)O)c1O)[C@H](OC1OC(C)C(N=CO)C(OC4OCC(O)C(O)C4O)C1O)[C@H]3O)C2=O | unichem_smiles | 108 |
CC1CCC/C(=C\C(=O)O)C1C | unichem_smiles | 19 |
COCc1nnc(N=C(O)CS(=O)CCCO)s1 | unichem_smiles | 23 |
CN=c1nc(NC(C)(C)CCO)[nH]c(N2CCCC2)n1 | unichem_smiles | 27 |
N=C(O)CCC(N=C(O)OCCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O | unichem_smiles | 47 |
Cc1oc(-c2nc3ncc[nH]c-3n2)cc1[N+](=O)[O-] | unichem_smiles | 33 |
CCO[C@H]1O[C@H](COC(=O)Nc2ccc(F)cc2)[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](OC(=O)Nc2ccc(Cl)cc2)[C@H]1OC | unichem_smiles | 80 |
O=S(=O)(Cc1ccccc1)N1Cc2[nH][nH]c(=NC=CCc3cccs3)c2C1 | unichem_smiles | 42 |
CC1CCN(c2cc[nH]c(=NCCCN(C)C)n2)CC1 | unichem_smiles | 28 |
C#C[C@H](NC)[C@@H]1CCN(C)C1 | unichem_smiles | 22 |
CCC(C)NC(=O)C(=O)Nc1ccccc1-c1ccncc1 | unichem_smiles | 27 |
CCC(CC)N(C(=O)O)C(O)=NC.COc1ccc(C2CC2NS(=O)[O-])cc1 | unichem_smiles | 38 |
CCCN1Cc2cccnc2C=N1.I | unichem_smiles | 15 |
COc1ccc(Nc2nnc(-c3cccnc3NCc3ccccn3)o2)cc1 | unichem_smiles | 28 |
CC(O)=N[C@@H]([C@@H](OC(=O)CO)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](CO)OCc1ccccc1 | unichem_smiles | 64 |
COCCOCCn1c(-c2cnn(C)c2)csc1=Nc1cccc(OC)c1 | unichem_smiles | 31 |
C=C(C)c1ccc2c(c1)CN(C(=C)c1cc3c(CCC)[nH]nc3cc1O)C2 | unichem_smiles | 41 |
OC(=Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cscn1 | unichem_smiles | 30 |
COc1ccc(C#N)cc1C(=O)Nc1ccc(N(C)C)cc1 | unichem_smiles | 29 |
CCN(CC1CCCO1)C(=O)N=C(O)CC(C)(C)C(=O)O | unichem_smiles | 32 |
CN(CC(O)=NC(C)(C)C)CN1C(=O)C2(CCCCc3ccccc32)N=C1O | unichem_smiles | 36 |
c1ccc(-n2ccnc2)c(CNCc2cccc3c2OCO3)c1 | unichem_smiles | 26 |
O=C(O)C(O)c1nccn1-c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 32 |
C1=C[C]2C=C(CC3CCCCC3)C=C2C(c2ccccc2)=C1.CC1=[C]C(C)C(C)=C1C.C[Si]C.[Cl-].[Cl-].[Zr+2] | unichem_smiles | 67 |
COc1cc2c(cc1O)cc(C1c3cc(OC)c(OC)cc3CCN1C(C)=O)c1cc(OC)c(OC)cc12 | unichem_smiles | 48 |
N=C(NCCSc1ccccc1)Nc1ccc2c(c1)CCC2 | unichem_smiles | 24 |
COCc1c(F)cc(C(C)CO)cc1F | unichem_smiles | 19 |
CCOC(=O)[C@H](C)N=C(O)c1cn(-c2ccccc2Cl)nn1 | unichem_smiles | 31 |
CN=C(NCCc1ccc(OC)cc1Cl)NCc1ccc(OC)cc1OC.I | unichem_smiles | 28 |
COC(=O)C1CC(Oc2ccccn2)CN1C(=O)c1ccc(OC)c(OC)c1 | unichem_smiles | 36 |
CC[C@H](O)c1ccccc1Oc1cc(F)c(Cl)cc1Br | unichem_smiles | 27 |
CCN=C(NCc1ccc(F)c(CO)c1)NCC(C)COCc1ccccc1 | unichem_smiles | 31 |
N=C(/C(N)=C(\N)C(O)=NC1OC(CO)C(O)C1O)N1CCCCC1 | unichem_smiles | 35 |
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(O)=NCc1cccnc1 | unichem_smiles | 34 |
CN[C@@H](C)C(O)=Nc1cc(-c2nc(C)nc3nn(C)c(C)c23)cc(C#Cc2ccc3c(C)nccc3c2)n1 | unichem_smiles | 57 |
CCOc1ccc(N2C(=O)N=C(O)[C@H](C=NCCc3c[nH]c4ccccc34)C2=O)cc1 | unichem_smiles | 47 |
COc1ccc(Cc2nnc(N=C(O)[C@@H](C)CSC)s2)cc1 | unichem_smiles | 31 |
[C][C@H]1CCCN1C(=O)C1CC(c2nnc(C)o2)CN1 | unichem_smiles | 32 |
Cc1ccc(NCCc2nccs2)c(C(=O)O)c1 | unichem_smiles | 25 |
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] | unichem_smiles | 36 |
CC(=O)N1CCC(NC(O)=NCCCOC(C)C)c2ccc(F)cc2C1 | unichem_smiles | 31 |
CCOC(=O)C(C(O)=Nc1ccc(F)cc1I)C(C)(C)C | unichem_smiles | 30 |
NCCCC[C@H](N=C(O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC/C=C/c3ccccc3)cc2)n1 | unichem_smiles | 57 |
Cc1ccc2c(NCc3ccccc3)nc(-c3cccs3)cc2c1 | unichem_smiles | 26 |
COc1ccc(/C(=C(\c2ccc(/C=C/C(=O)O)cc2)c2ccc(-c3cncs3)cc2)C2CCC2)c(Cl)c1 | unichem_smiles | 52 |
O=C(O)C1CCCN(C(O)=NCCCN=c2ccc(C(F)(F)F)c[nH]2)C1 | unichem_smiles | 40 |
Cc1cccc(O)c1C(=O)c1ccccn1 | unichem_smiles | 19 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)COP(=O)(O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCC | unichem_smiles | 128 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.