text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
C#CCOc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CCCC)C(=O)N23)c1 | unichem_smiles | 52 |
CN(CC(O)=NCCc1ccc(OC(F)F)cc1)Cc1ccc(Cl)cc1 | unichem_smiles | 30 |
Cc1nccc(N2CCN(C(=O)CC3CCOc4ccccc43)CC2)n1 | unichem_smiles | 31 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCC/C=C\C/C=C\CCCCC | unichem_smiles | 83 |
COC(=O)Cc1coc(=N)[nH]1 | unichem_smiles | 18 |
COc1cc([N+](=O)[O-])c(C(=O)N(C)c2cccnc2)cc1SC | unichem_smiles | 34 |
CN1N=C(C(C)(C)C)/C(=C\c2ccc(Cl)cc2)C1=O | unichem_smiles | 32 |
CCC(NCC(O)COc1ccc(C)cc1)c1c(C)noc1C | unichem_smiles | 27 |
CC(C)CC(N=c1[nH]c2ccc(C(F)(F)F)cc2nc1SC(C)(C)C)C(=O)O | unichem_smiles | 44 |
O[C@@H](COc1cccc(CNCCOc2cccnc2)c1)CN1CCCCCC1 | unichem_smiles | 28 |
COc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1C | unichem_smiles | 27 |
CC(C)CC(N)C(O)=NC(CO)C(O)=NC(CC(=O)O)C(O)=NC(Cc1c[nH]c2ccccc12)C(=O)O | unichem_smiles | 55 |
Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 | unichem_smiles | 41 |
COC(=O)Cc1ccccc1CN(C)CCOCC1CC1 | unichem_smiles | 22 |
CCCCCN=C(O)C1N(CCO)C(=O)[C@@H]2[C@H](C(O)=Nc3ccccc3)[C@]3(C)CCC12S3 | unichem_smiles | 51 |
CC1([C]2C=CN=C=N2)CCCCC1 | unichem_smiles | 18 |
N=C(O)NCc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)cc1 | unichem_smiles | 40 |
CN1C(=O)CC(SC(=NCc2ccc(Cl)cc2)Nc2ccccc2)C1=O | unichem_smiles | 33 |
OC(=NC1CC1)C(c1ccccc1)N1CCN(Cc2c(F)cccc2Cl)CC1 | unichem_smiles | 34 |
CCCCc1nc2c(C#CCC3CCN(C(C)C)CC3)cn(COCc3ccccc3)c2c(=N)[nH]1 | unichem_smiles | 44 |
COc1cc(OC)cc(C(O)=Nc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 | unichem_smiles | 81 |
COc1ccccc1-c1cc(C(=O)N2CCSC3(CCCCC3)C2)n[nH]1 | unichem_smiles | 35 |
CC[C@@H](C)c1csc2nc(O)c(-c3cccc(Oc4ccccc4)c3)c([O-])c12 | unichem_smiles | 40 |
CCCOc1ccc2ccccc2c1CNCCN1CCOCC1.Cl.Cl | unichem_smiles | 23 |
CC1CN(C)CCC1N(C)C(O)=NC1CCN(Cc2ccccc2)C(C)C1 | unichem_smiles | 34 |
CC(C)C[C@H]1NC(O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@H]2CCc3ccnc(c3O2)CCCNCC1=O | unichem_smiles | 63 |
CCc1ccccc1N=C(O)CN(C)C(=O)c1cc2ccc(C)cc2[nH]1 | unichem_smiles | 36 |
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)O)c(C)s1 | unichem_smiles | 35 |
COC(=O)c1cc(Oc2ccc(C(C)(F)F)cc2Cl)ccc1[N+](=O)[O-] | unichem_smiles | 39 |
Cn1nc(/C=C/c2ccc(O)cc2)nc1-c1ccccc1O | unichem_smiles | 27 |
N=C(O)CC1=Cc2nccc3ncnc1c23 | unichem_smiles | 20 |
FC(F)(F)Cn1nc(Br)c(Br)n1 | unichem_smiles | 19 |
O=c1c(Cl)c(Cl)ncn1CCCC1CCCO1 | unichem_smiles | 20 |
COC(=O)Cc1ccccc1COCCCC(C)C | unichem_smiles | 18 |
CC[C@H](C)[C@H](N=C(O)[C@H](CCCCN)N=C(O)[C@H](CCCCN)N=C(O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@@H](N)CCCNC(=N)N)C(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](Cc1ccccc1)C(O)=N[C@@H](CCC(=O)O)C(O)=NCC(O)=N[C@@H](CO)C(O)=NCC(O)=N[C@@H](Cc1ccc(O)cc1)C(O)=N[C@H](C(O)=N[C@@H](CC(=O)O)C(O)=N[C@... | unichem_smiles | 307 |
COC1OCC2SC12 | unichem_smiles | 8 |
CN(C)CCN(Cc1cccs1)C(=O)CN=C(O)c1cccnc1 | unichem_smiles | 30 |
COCc1c(F)cc(-c2cnn(C)c2N)cc1Cl | unichem_smiles | 24 |
CC(=O)c1cccc(N=C(O)[C@@H](C)OC(=O)[C@H](NC(=O)c2ccc(Cl)cc2)C(C)C)c1 | unichem_smiles | 52 |
C[C@@H](N)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(F)c1 | unichem_smiles | 37 |
Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1C | unichem_smiles | 49 |
C.C[C@@H](O)C(=N)O.C[C@@H](O)c1nc2cnc3ccoc3c2n1[C@H]1CC[C@H](CC#N)OC1.N#CC[C@H]1CC[C@H](N)CO1.N#CC[C@H]1CC[C@H](N=c2c(N)c[nH]c3ccoc23)CO1.N#CC[C@H]1CC[C@H](N=c2c([N+](=O)[O-])c[nH]c3ccoc23)CO1.O=[N+]([O-])c1cnc2ccoc2c1Cl | unichem_smiles | 179 |
Cc1ccc(NC(=O)CSC(=S)N2CC3CC(C2)c2cccc(=O)n2C3)cc1 | unichem_smiles | 39 |
O=C(C[S@@](=O)Cc1ccc(Cl)c(Cl)c1)N1CCc2sccc2C1 | unichem_smiles | 36 |
COc1ccc(C)cc1[NH+]=C(O)CN(C[C@H]1CCCO1)C[C@@H]1CCCO1 | unichem_smiles | 40 |
C=CCN(CC=C)C(=O)C(/C=C/c1ccccc1)N(C)C | unichem_smiles | 31 |
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C([C@H]3CCCO3)S[C@H]12.[Na+] | unichem_smiles | 53 |
CCc1ccc2nc(N=C(O)c3cc(OC)ccc3Br)sc2c1 | unichem_smiles | 27 |
CC(O)=NCC(CC(C)(C)O)N(C(O)=NCc1ccc(F)cc1Cl)C(C)C | unichem_smiles | 37 |
CNCC(=O)c1cn2cc(OC)ncc2n1 | unichem_smiles | 19 |
Cc1cc2cc(F)ccc2cc1[N+](=O)[O-] | unichem_smiles | 23 |
CC1CCCC(C)N(C(=O)CC(C)(C)N)C1.Cl | unichem_smiles | 25 |
CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(O)=Nc1cccc(/C=C/C(=O)O)c1 | unichem_smiles | 49 |
CC.CCc1ccc2cnn(C3=C(N)C(=O)C3O)c2c1 | unichem_smiles | 30 |
COc1cc2c(cc1/C=C1/S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C1=O)OCO2 | unichem_smiles | 49 |
CN1c2ccccc2C(C)(C)C12C=Nc1c(cc(N3CCCc4ccccc43)c3ccccc13)O2 | unichem_smiles | 41 |
CCN(CC)CCC(=O)c1ccccc1Cl | unichem_smiles | 16 |
Cc1ccc(N=C(O)C(N=C(O)C2CCN(C(C)C(O)=Nc3cc(C(=O)N4CCC(C)CC4)ccc3Cl)CC2)C(C)C)cc1Cl | unichem_smiles | 67 |
Cn1cc([C@@H](N=C(O)[C@@H]2C[C@H]3CC[C@H]2O3)C(C)(C)C)cn1 | unichem_smiles | 47 |
COc1ccccc1NCC(O)=NN1C(=O)[C@](C)(c2ccccc2)N=C1O | unichem_smiles | 34 |
CN(C)CCCN1C(=O)C2C3C=CC(C3)C2C1=O | unichem_smiles | 29 |
CCS(=O)(=O)c1ccc(CCC(O)=NNc2ncccc2Cl)cc1 | unichem_smiles | 27 |
C=C[C@@H]1CN(C)c2ccccc2N1C | unichem_smiles | 21 |
CCCc1ccc(S(=O)(=O)N(CCCN)C2CC2)cc1 | unichem_smiles | 25 |
CNC(CSc1ncccn1)c1cccc(C)c1 | unichem_smiles | 19 |
Cc1cccc(/C=C2/[C@H](O)C3CC[NH+]2CC3)c1 | unichem_smiles | 29 |
COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)c1 | unichem_smiles | 43 |
CN1CCC(NCc2cn(-c3nccs3)nn2)CC1 | unichem_smiles | 21 |
CCc1noc(CC)c1CC(=O)Nc1ccc(-c2csc(C)n2)cc1 | unichem_smiles | 32 |
O=C(O)C(=CO)CO | unichem_smiles | 12 |
C1=CC(CCC2CCCO2)NC1 | unichem_smiles | 13 |
C=C(C)/C(C)=C(/C)C=CC | unichem_smiles | 17 |
CN1CCC(c2cn(CCCc3ccccc3)c3ccc(OS(=O)(=O)c4ccccc4)cc23)CC1.O=C(O)C(=O)O | unichem_smiles | 51 |
C#CC1=NN(C)C(C)C1 | unichem_smiles | 15 |
CC[C@@]1(c2ccc(OCC(C)C)cc2)N=C(O)c2ccccc2N1 | unichem_smiles | 34 |
Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N(C)CCOc1cccc(Cl)c1 | unichem_smiles | 39 |
CCCC(NC(C)c1csc(CC)n1)C1CC1 | unichem_smiles | 20 |
CCOC(=O)CCN(C)Cc1cccc2ccccc12 | unichem_smiles | 19 |
[N-]=[N+]=NCCC(F)(F)CCC(F)C(F)F | unichem_smiles | 24 |
COc1cccc(C(C)=CC(O)=NCc2cc(C(=N)O)co2)c1 | unichem_smiles | 30 |
CC1Cc2cc(S(=O)(=O)NCc3ccc4c(c3)CNC4)ccc2O1.Cl | unichem_smiles | 35 |
Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 | unichem_smiles | 40 |
COc1ccccc1-c1noc(CCC(O)=Nc2ccccc2)n1 | unichem_smiles | 25 |
OC(CC1(CSc2ccccc2)CC1)=N[C@H]1c2ccccc2C[C@H]1O | unichem_smiles | 35 |
CC(=O)O.COc1ccc(-c2cc(C(F)(F)F)c3c(O)nc(=S)n(C4CC4)c3n2)cc1 | unichem_smiles | 49 |
C=C(C)CN(C)C(O)=NCC1(c2ccc(OCC)cc2)CCOCC1 | unichem_smiles | 32 |
CC(C)(C)OC(O)=NCCCC(=O)OCCCc1cccnc1 | unichem_smiles | 23 |
O=C(O)c1ccc(CN2c3ccccc3C3(COc4cc5c(cc43)O[I+]O5)[C-]2[O-])cc1 | unichem_smiles | 48 |
COCCN(C(C)=O)c1nc(C)c(C(O)=NC2CCCCC2)s1 | unichem_smiles | 30 |
COc1ccc(-n2nnnc2CN=C(O)c2cc(Cl)ccc2OC)cc1 | unichem_smiles | 28 |
O=[N+]([O-])c1cccc(C(O)=NCC(O)=Nc2n[nH]c(-c3ccccc3F)n2)c1 | unichem_smiles | 44 |
COC(=O)c1ccccc1S(=O)(=O)NC(C)c1ncc(-c2ccccc2)o1 | unichem_smiles | 36 |
CC(C)(C)OC[C@H](N)C(=O)OC1CCCC1 | unichem_smiles | 23 |
COc1cc(Cl)c(C)cc1N=C(O)COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 | unichem_smiles | 43 |
C=CCCN=CC(C=C)C[C-]=CN(C1=C=C[C-](C2=CCC3C(=C2)C=C(CCC=C)C3c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=[C-]1)c1ccc(-c2ccccn2)cc1.[U+2].[U] | unichem_smiles | 96 |
COc1ccc2[nH]c(=NC/C(C)=C/c3ccc(C(=O)O)cc3)sc2c1 | unichem_smiles | 38 |
Cc1cc(Br)cc(C)c1NC(O)=NCC(O)=NC(C)(C)C | unichem_smiles | 29 |
CCN(CC)CC[NH+]=C(O)CCN=C(O)Nc1ccccc1 | unichem_smiles | 27 |
COc1ccc(F)c(NCC(O)=NCCc2ccccc2C)c1 | unichem_smiles | 25 |
CN1C(=O)c2ccc(S(=O)(=O)N(C)CCN3CCOCC3)cc2C1=O | unichem_smiles | 37 |
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