text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
Cc1cc(C)n(C[C@@H]2CN(CC(O)=NCC3CCCCC3)CCO2)n1 | unichem_smiles | 35 |
CC(COB(c1cc(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(COB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)COB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F | unichem_smiles | 138 |
CC(CN1CCC[C@H]1C(=O)O)Oc1ccccc1Oc1ccc(Cl)cc1 | unichem_smiles | 33 |
COC(=O)Nc1ccc(C(=O)N2CCCC2c2ccc(OC)cc2)cc1 | unichem_smiles | 31 |
COc1ccc(C2=CC(c3ccccc3)=NS(=O)(=O)N2)cc1 | unichem_smiles | 29 |
CCc1cccc(CC)c1N=C(O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O | unichem_smiles | 39 |
CC1CCC(CN2CCN(C(C)(C)C(=N)NO)CC2)O1 | unichem_smiles | 27 |
CC(=O)N1CCN(Cc2ccccc2Cl)CC(C(=N)O)C1 | unichem_smiles | 29 |
CO[C@H](CN=C(O)c1cncc(Br)c1)c1cc2ccccc2o1 | unichem_smiles | 31 |
C=C(C)CCCCCCCCC1C(CCCCCC)CCC(CCCCCCCC)C1CCCCCCCCC(=C)/C=C/C1CC(CC)C2CC(CC)CC12 | unichem_smiles | 47 |
CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)C1CC1)CC2)C(=O)N1CCOCC1 | unichem_smiles | 55 |
CCOC(=O)C1=C(CN2CCN(C(=O)C3CCC3)CC2)N(C)C(O)=NC1c1ccc(OC)c(OC)c1 | unichem_smiles | 51 |
Cc1ccc([C@H](C)N=C(O)[C@@H]2CCC[C@H](C(O)=N[C@@H](C)c3ccc(C)s3)C2)s1 | unichem_smiles | 54 |
COc1cc(C(C)NCc2scnc2C)ccc1F | unichem_smiles | 20 |
CC1=CC=C/C(=C/NN=C(O)COc2cccc(C)c2C)C1=O | unichem_smiles | 33 |
Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccccc4OC(F)F)sc32)cc1 | unichem_smiles | 38 |
CCOOCc1ccc2c(C3CCCCC3)cn(CC(=O)OCC)c2n1 | unichem_smiles | 29 |
N=C(N)Oc1ccc(Oc2ccc(OC(=N)N)cc2)cc1 | unichem_smiles | 28 |
CC(c1ccccc1Cl)N(Cc1cncs1)C1CC1 | unichem_smiles | 22 |
CCOc1ccccc1/C=C1\Oc2c(ccc(OC(=O)c3cccnc3)c2C)C1=O | unichem_smiles | 39 |
Fc1c(C2CC2)ncnc1N1Cc2ccccc2C1 | unichem_smiles | 22 |
N#C[C@H](N=C(O)CN1CCCCCC1=O)C1CCCCC1 | unichem_smiles | 27 |
CCC(=O)c1csc(N=C(O)[C@@H](N=C(O)C(N=C(O)OC(C)(C)C)c2ccc(OCCN3CCCCC3)cc2)[C@H](C)c2ccccc2)n1 | unichem_smiles | 71 |
Cn1cnnc1COc1c(Br)cc(CNC2CC2)cc1Br | unichem_smiles | 24 |
OC(=NCc1ccc(-c2noc(C(F)(F)F)n2)cc1F)c1ccccc1Cl | unichem_smiles | 34 |
CC(C)CC(O)=N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1 | unichem_smiles | 35 |
CCOc1ccc(NC(=O)CC2C(=O)Nc3c(-c4ccc(OC)cc4)cnn32)cc1 | unichem_smiles | 38 |
CC1CCN(c2cccc(Cl)n2)CC1O | unichem_smiles | 17 |
CCC1(C(O)=NC(C)CN2CC(C)CC(C)C2)CCCN1.Cl.Cl | unichem_smiles | 31 |
Cc1ccc(I)cc1NC(O)=N[C@@H]1CCCC[C@@H]1O | unichem_smiles | 28 |
Cc1nc(C(=O)N(C)c2ccccc2N)cs1 | unichem_smiles | 23 |
O=c1ccc(-n2cccn2)nn1CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 | unichem_smiles | 36 |
SC(=NCc1cncs1)NC1CCCC1 | unichem_smiles | 14 |
C[C@H]1CCC[C@@H](N(C)C(=N)O)C1 | unichem_smiles | 26 |
C[C@@H](Cc1ccc(N(C)C)cc1)N=C(O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 | unichem_smiles | 50 |
CC1CN(S(=O)(=O)CCC2CCCO2)C(c2ccccc2)CO1 | unichem_smiles | 28 |
CCN=C(NCc1ccnc(Oc2ccc(F)cc2)c1)NCc1nc(C)c(C)s1.I | unichem_smiles | 39 |
CCN(CC(C)C#N)C(=O)c1cc(F)c(F)cc1Br | unichem_smiles | 29 |
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CC(O)C(OC(=O)C=Cc5ccc(O)c(OC)c5)C(C)(C)C4CCC3(C)C1(C)CC2 | unichem_smiles | 75 |
CCOC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(C#CCN=C(O)Cc2ccc(Cl)cc2Cl)cc1 | unichem_smiles | 68 |
COc1ccc(C(=O)COC2CCCCC2N2CC[C@@H](OCc3ccccc3)C2)cc1OC | unichem_smiles | 37 |
CCC(N=C(O)NC(c1ccccc1)c1ccco1)c1ccncc1 | unichem_smiles | 28 |
CCCc1nc(CSC2CCCC2)sc1CNC | unichem_smiles | 15 |
COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1ccc(C#N)cc1 | unichem_smiles | 38 |
Cc1cccc(C(O)=NN=C(O)Cc2nc3ccccc3n2C)c1[N+](=O)[O-] | unichem_smiles | 39 |
COc1cc(CN(CC(C)O)C2CCCCC2)ccc1OCc1ccncc1 | unichem_smiles | 28 |
CC(C)C1CN(C(=O)C(O)=Nc2ccc(-c3nccs3)cc2)CCS1 | unichem_smiles | 35 |
CCCCn1c(CN(C)CC(=O)OCC)c[nH+]c1S(=O)(=O)CC1CCC1 | unichem_smiles | 37 |
Cc1[nH]c2ccccc2c1C(O)=NNC(=O)c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 39 |
Cc1nc(Nc2ccccc2)sc1C(=O)O | unichem_smiles | 20 |
COC1=CC(=O)c2nc(N3CCC(C(F)(F)F)CC3)ccc2C1=O | unichem_smiles | 34 |
O[C@H]1CCN(c2ncnc3sc4c(c23)CCNC4)C1 | unichem_smiles | 28 |
N=C(O)CC1(COc2ccc(F)cc2)CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 | unichem_smiles | 45 |
COc1cc(OC)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl.Cl | unichem_smiles | 32 |
CC(C)CCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 | unichem_smiles | 39 |
Cc1ccc(C(C)(O)CNC(=O)C(=O)Nc2cccc(C)c2C#N)o1 | unichem_smiles | 37 |
Cc1cnn(CC2CN(C(O)=NCC3CCC(C)C3)CCO2)c1 | unichem_smiles | 30 |
CCc1ccc2ccccc2c1S(=O)(=O)N=[N+]=[N-] | unichem_smiles | 27 |
CC1=C([C@H](CCCCC2=NOC(C)(C)O2)c2ccc(OCCN3CCOCC3)cc2)C(=O)c2ccccc2C1=O | unichem_smiles | 53 |
CC.CC.CCCN=C(O)CI.CCCN=C(O)CSC[C@@H](N)C(O)=NC.CN=C(O)[C@H](N)CS | unichem_smiles | 48 |
CC[C@H]1CN[C@@H](C(C)C)CN1C[C@H]1CCCN1CC | unichem_smiles | 32 |
Cc1cc(NC(O)=NCc2nc3ccccc3s2)ccc1OC1CCOCC1 | unichem_smiles | 28 |
N#CN1CCCC(n2cc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(=N)[nH]nc(O)c32)C1 | unichem_smiles | 47 |
CCN(CC)c1ccc(/C=N/N=C(O)c2ccccc2S(N)(=O)=O)cc1 | unichem_smiles | 35 |
CCCCOc1c(OCCCC)c(C)c2c([nH]c3ccccc32)c1OCCCC | unichem_smiles | 30 |
CCOc1cc(C2C(c3ccc(OC)cc3)=C(O)C(=O)N2c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC | unichem_smiles | 56 |
CCOC(=O)c1[nH]c(/C=C2\N=C(/C=C3/CC(C)(C)[C@](C)(C#N)N3)C(C)=C2C)c(C)c1C | unichem_smiles | 61 |
COc1ccc(CO)c2c(OC)cc(C)nc12 | unichem_smiles | 19 |
O=C(c1ccccn1)N1CCC(N=C(O)C2(c3cccc(F)c3)CCCC2)C1 | unichem_smiles | 37 |
CC(O)=Nc1ccc(Cl)c(NC(O)=NCC(C(C)C)N2CCOCC2)c1 | unichem_smiles | 35 |
COc1ccc(C2(CC(=O)N3CCCC(C(C)=O)C3)CC(=O)N(C3CC3)C2=O)cc1 | unichem_smiles | 45 |
Cc1ccc(-c2cnn(C)c(=O)c2CO)c(C)c1 | unichem_smiles | 27 |
Cc1ccc(C[N+]2=C(SCC(O)=NCC3CCCO3)N=C3C2C(=O)N(C)C(=O)N3C)cc1 | unichem_smiles | 52 |
COc1ccc([C@H]2C(=N)n3nc(SC)nc3N=C2C)cc1OC | unichem_smiles | 32 |
Cc1ncc(-c2ccc(NC(=O)c3cccc(N)c3)cc2)o1 | unichem_smiles | 29 |
CCN=C(C)c1c(C(C)C(=O)OS)[nH]n(CC)c1=O | unichem_smiles | 33 |
NNC(Cc1cc(Cl)ccc1F)C1CCC(F)(F)CC1 | unichem_smiles | 24 |
CC1=CC(=O)C=C/C1=N\c1cc2c(O)c(c1)Cc1cccc3c1OCC(O)=NCCN1CCN=C(O)COc4c(cccc4Cc4cccc(c4OCC(O)=NCC1)C3)C2 | unichem_smiles | 81 |
CCOc1ccc(CC2C(O)=NC(=O)N=C2O)cc1 | unichem_smiles | 25 |
Cc1ccc(C)c(-n2nnnc2CN)c1 | unichem_smiles | 18 |
O=C(CCc1ccccc1F)N1CCC[C@@H]1c1ccc(F)cc1 | unichem_smiles | 29 |
CCN(Cc1ccncc1)c1cc(N)cc(F)c1 | unichem_smiles | 23 |
COc1ccc(C(CN=C(O)C=Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 | unichem_smiles | 39 |
CCN=c1nc(OC)[nH]c(N(CCO)C2CCC2)n1 | unichem_smiles | 26 |
Fc1ccccc1CSc1nnc(Cc2ccccc2)n1/N=C\c1ccc(Cl)cc1 | unichem_smiles | 33 |
N=C1NCCCc2sccc21 | unichem_smiles | 11 |
CC(C)C[NH+](C[C@H](O)COCc1ccccc1F)C1CC1 | unichem_smiles | 30 |
CCCCC(=O)N(CC1=CC=C(c2ccccc2C2=NNN(C)N2)CC1)C(C(=O)O)C(C)C | unichem_smiles | 48 |
OC(Cc1ccccc1)=NNc1c(Cl)cccc1Cl | unichem_smiles | 19 |
FC(F)(F)Cc1ccc(NCc2cc(Cl)cc3c2OCOC3)cc1 | unichem_smiles | 28 |
COc1cc(C#N)ccc1Oc1ccc(NC(C)C(O)=Nc2ccc(C)cc2Br)cc1 | unichem_smiles | 37 |
CN=C(O)CC1CCN(CC(O)=NC(C)c2ccccc2)CC1 | unichem_smiles | 27 |
Clc1cnc2c(Cl)cccc2c1N1CCNCC1 | unichem_smiles | 20 |
COCCOc1ccc(F)cc1NC(O)=NC(C)Cc1cc(C)[nH]n1 | unichem_smiles | 31 |
CC=Cc1ccc(OCCCCn2c(CCCCCN=C(O)Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)c(OC)c1 | unichem_smiles | 46 |
COC(=O)c1cc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)c[nH]1 | unichem_smiles | 39 |
CSCCCn1nc(-c2ccco2)oc1=O | unichem_smiles | 16 |
Cn1c(C(O)=NC2CC[S+](=O)([O-])C2)cc2ccccc21 | unichem_smiles | 31 |
CC(C)c1ccc(CCCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 | unichem_smiles | 35 |
C=C/C(=C\C=C(/C=C\C)c1cnc(NC)cn1)OCCCOCC.CC | unichem_smiles | 35 |
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