text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)C(C)C)CC2)C(O)=NC1CC1 | unichem_smiles | 50 |
CCCC(O)=NC1CCCN(C(O)=Nc2cc(C)cc3cccnc23)C1 | unichem_smiles | 28 |
COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(/C=C3\N=C(O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)c2=O)cc1 | unichem_smiles | 67 |
CCCNC(Cc1cncs1)c1ccco1 | unichem_smiles | 15 |
CCc1csc(-n2cc(C(=O)N3CCN(C)CC34CCCCC4)cn2)n1 | unichem_smiles | 33 |
CCc1onc(C)c1C(O)=NCc1ccccc1CN1CCOCC1 | unichem_smiles | 26 |
CC(C)(O)C#Cc1cccc(COC2=C(N)NCC(c3cnc(C4CCN(CC(F)(F)F)CC4)s3)=C2)c1 | unichem_smiles | 53 |
Cn1c(N=C(O)Cn2cc(Cl)cn2)nc2ccccc21 | unichem_smiles | 26 |
O=S(=O)(Cc1ccccc1)NCC(O)=Nc1cccnc1 | unichem_smiles | 25 |
O=C1C(=O)N(c2ccc(Br)cn2)[C@@H](c2ccc(Cl)cc2)/C1=C(/O)c1ccccc1 | unichem_smiles | 45 |
CC.Cc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1C(=O)c1ccsc1 | unichem_smiles | 38 |
CN1CCC(C(O)=Nc2cccc(-c3nccn3C)c2)CC1 | unichem_smiles | 26 |
c1cc(CNC2CCOC3(CCCCC3)C2)ncn1 | unichem_smiles | 21 |
Cc1ccccc1N1CCOCC1[C@@H](C)[Si] | unichem_smiles | 21 |
C=IC(F)(F)c1ccc(OCC(=O)O)c(-c2ccc(NC(O)=NCC)cc2C)c1 | unichem_smiles | 39 |
O=C(c1cc(C2CC2)on1)N1CCN=C(O)C1c1ccccc1C(F)(F)F | unichem_smiles | 39 |
CSc1ccc2nc(N(CCN(C)C)C(=O)C=Cc3cccs3)sc2c1 | unichem_smiles | 34 |
Cc1ccccc1OCC(O)CNCCNC(=O)c1ccco1 | unichem_smiles | 23 |
CCC1CCC(C)N1C(=O)COc1ccc(C#N)cc1 | unichem_smiles | 24 |
COc1ccccc1CN(CCN1CCOCC1)Cc1nc(C(=O)[NH2+]c2ccc(F)cc2)co1 | unichem_smiles | 41 |
CN1C(=O)c2ccc(N=C(O)CNc3ccc4scnc4c3)cc2C1=O | unichem_smiles | 34 |
COc1ccc(-c2cc(F)cc3c2O[C@@H](CN)CN3)c(C(F)(F)F)c1 | unichem_smiles | 38 |
C1=CCCNCCCNCC2C(C=CCCCCC1)C=CC1CCCCC12 | unichem_smiles | 24 |
[O-]c1ccc2c(c1-c1c(P(c3ccccc3)c3ccccc3)ccc3ccccc13)CCC=C2.[O-]c1ccc2ccccc2c1-c1[c]ccc2ccccc12.[Po+2] | unichem_smiles | 70 |
Cc1sc2c(C(=N)O)cccc2c1-c1nc2c(c(=NCc3ccccc3)[nH]1)CCOCC2 | unichem_smiles | 44 |
C=CCO[C@H]1CCC[C@@H]1Oc1ccc(CO)cc1[N+](=O)[O-] | unichem_smiles | 36 |
C[C@H](OC(=O)[C@H](Cc1ccccc1)NC(=N)O)C(O)=Nc1ccc(C#N)c(Cl)c1 | unichem_smiles | 48 |
CC(C)c1ccc(/C=N/N=C(O)c2ccc(C#N)cc2F)cc1 | unichem_smiles | 32 |
Cc1sc(C(O)c2ccc(Cl)cc2Oc2cccc(OC(F)(F)F)c2)cc1CCCO | unichem_smiles | 37 |
CCC(C)N=C(O)c1ccc(Cl)c(N=C(O)C(C)N2CCC(C(O)=NC(C(O)=Nc3cccc(C(=O)N4CCCC(C)C4)c3)C(C)C)CC2)c1 | unichem_smiles | 75 |
CCC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](CO)[C@H]1CC | unichem_smiles | 36 |
NNc1ncc(Cn2cncc(I)c2=O)s1 | unichem_smiles | 21 |
Cn1cnc2c1c(=O)n(CC(=O)N1CCCN(Cc3cccs3)CC1)c(=O)n2C | unichem_smiles | 43 |
CCCN(CC1CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C | unichem_smiles | 32 |
CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)N=C(O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)CC2=O | unichem_smiles | 64 |
Cc1nc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)[nH]c1C | unichem_smiles | 47 |
COc1ccc(N=C(O)CN2C(=O)N(c3cc(C)cc(C)c3)C(=O)C3OC4CCCCC4C32)cc1OC | unichem_smiles | 51 |
O=C1CCCC(=O)C1c1ccc(O)cc1 | unichem_smiles | 19 |
c1cnc(-c2nc(N3CC(C4CCOC4)C3)c3c4c(sc3n2)CCCC4)cn1 | unichem_smiles | 38 |
Cc1nc(CN(C(=O)CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cs1 | unichem_smiles | 41 |
Cc1cc(CSc2ccccc2C)c(C)c(C2C(C#N)=C(N)N(c3cccc(F)c3)C3=C2C(=O)CC(C)(C)C3)c1 | unichem_smiles | 63 |
COc1cc(OC)c(C=NN=C(O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1 | unichem_smiles | 50 |
CC1(C)CN[C@H]2CCC[C@@H]21 | unichem_smiles | 19 |
CC(N=C(O)NC(CO)Cc1ccccc1)c1cc2ccccc2s1 | unichem_smiles | 28 |
Nc1ccc(CCC(=O)OCCc2ccncc2)cc1 | unichem_smiles | 21 |
CCc1nnc(N=C(O)CCN=C(O)C2CCN(CC(O)=Nc3cccc(C(O)=NCC(C)C)c3C)CC2)s1 | unichem_smiles | 53 |
CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4cc5c6c(cccc6c4c3)Sc3cc(N(c4ccccc4)c4ccc6oc7ccccc7c6c4)ccc3-5)cc21.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc4c5c(cccc5c3c2)Sc2cc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)ccc2-4)cc1.c1ccc(N(c2ccccc2)c2ccc3cc4c5c(cccc5c3c2)Sc2cc(N(c3ccccc3)c3ccc5oc6ccccc6c5c3)ccc2-4)cc1 | unichem_smiles | 203 |
CN1C=C(C(=O)O)C(C)(OCc2ccc(C(F)(F)F)cc2)N1C | unichem_smiles | 36 |
CC(N=C(O)CCSCC1=NC(=O)C2C(=N1)SC1=C2CCCC1)c1ccccc1Cl | unichem_smiles | 40 |
CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CC(O)=NCCN5CCOCC5)c4)n3)c2F)C1 | unichem_smiles | 46 |
CN1CCC(N=C(O)C=Cc2cc(Cl)c3c(c2)OCCO3)CC1 | unichem_smiles | 33 |
Cc1ccc(NC(Nc2ccc(Br)cc2)=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)cc1 | unichem_smiles | 51 |
CCNC(c1cscc1Br)C1(C)CCCC1 | unichem_smiles | 17 |
CC(=O)c1ccc(OCc2ccccc2)c(CCc2ccc(-c3nnn(COC(=O)C(C)(C)C)n3)cc2)c1 | unichem_smiles | 50 |
CC(C)c1ccc(C(O)CNCCn2ccnc2)cc1 | unichem_smiles | 22 |
CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C1CCNCC1 | unichem_smiles | 31 |
Cc1cc(C)c([N-]C(c2cc(Cl)cc(C(F)(F)F)c2)=[N+]2[CH-]N(C(=Nc3c(C(C)C)cccc3C(C)C)c3c(C)cccc3C)CCC2)c(C(F)(F)F)c1.[Cl-].[Cl-].[Fe+3] | unichem_smiles | 102 |
CN1C(=N)NC2(CC(C3CCCC4=C3C=CCC4)Oc3ccc(Br)cc32)C1=O | unichem_smiles | 38 |
O=C([O-])c1ccc(S)cc1.[Na+] | unichem_smiles | 19 |
COC(=O)C(N=C(O)C1CC1c1cnn(C(C)C)c1)c1ccc(C)c(C)c1 | unichem_smiles | 44 |
CC(O)=N[C@H](C)c1ccc(C(=O)CSc2ncnc3sc(C)c(C)c23)cc1 | unichem_smiles | 40 |
CCN=C(O)[C@H](C)OC(=O)c1ccc(OC(F)F)c(OC)c1 | unichem_smiles | 34 |
COc1ccc(OC)c(C(C=O)c2cccc(Br)c2)c1 | unichem_smiles | 26 |
Cc1cnc([C@H](N=C(O)N2CCO[C@H](c3ccsc3)C2)C2CC2)s1 | unichem_smiles | 41 |
Cc1ccc2c(c1C)=NC(=O)C(CN(CCCN(C)C)C(=O)[NH2+]c1ccc(F)cc1)C=2 | unichem_smiles | 48 |
CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(OCC)cc3)C2c2ccc(OCCC)c(OC)c2)c1 | unichem_smiles | 48 |
CN1C(C(=O)c2ccc3ccccc3c2)=C(OC(=O)c2ccco2)c2ccccc2S1(=O)=O | unichem_smiles | 44 |
CC(C)(C)Sc1ccc([N+](=O)[O-])c(O)c1 | unichem_smiles | 25 |
C[C@H](O)[C@@H](O)C(O)=NCCO | unichem_smiles | 21 |
CCC(CCO)CNC(=O)c1nn(-c2ccc(OC)cc2)cc1O | unichem_smiles | 27 |
C=C(c1ccccc1)C(O)C(C(C)C)C(O)(c1ccccn1)C(C(=O)O)c1ccc(CF)cc1 | unichem_smiles | 49 |
CC1=CC[C@H]2C(=O)N(c3ccccc3C(O)=Nc3cccc(C)c3C)C(=O)[C@H]2C1 | unichem_smiles | 49 |
O=C1CC[C@@H]2CNCC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 | unichem_smiles | 36 |
CNc1nncc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | unichem_smiles | 37 |
CCOCC1CCN(c2ncccc2C(=O)OC(C)C)C1 | unichem_smiles | 25 |
Cc1nnc2n1-c1ccc(Br)cc1NCC21CC1 | unichem_smiles | 22 |
C=CCN=c1[nH]ccc2occc12 | unichem_smiles | 16 |
CN(C)C(=O)CN1C2CCC1CC(N=C(O)C1(n3cnnn3)CCCCC1)C2 | unichem_smiles | 39 |
C=C(C)OC(O)=Nc1ncccn1 | unichem_smiles | 17 |
COCCC[C@@]1(CO)CN(C(=O)Cc2cn(C)c3ccccc23)CC[C@H]1O | unichem_smiles | 38 |
COc1c(C)cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C | unichem_smiles | 35 |
CC(C)C(O)COc1ccc([N+](=O)[O-])cc1F | unichem_smiles | 25 |
O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc(I)cc(I)c1Br | unichem_smiles | 32 |
O=C(COc1ccccc1)N1CCC(Br)CC1 | unichem_smiles | 19 |
[NH3+]c1nonc1-n1nnc(CN2CCCCC2)c1C(O)=N/N=C/c1ccc([N+](=O)[O-])o1 | unichem_smiles | 49 |
CCOC(=O)C1CCN(C(=O)CNC(C)(C)c2cccc(Cl)c2)CC1 | unichem_smiles | 34 |
C[C@H](CN=C(O)N1CCC(N=C(O)OC(C)(C)C)CC1)N1CCOCC1 | unichem_smiles | 39 |
Cc1ccsc1/C=N/NC1=NCCN1 | unichem_smiles | 18 |
COC(=O)c1ccc2ccc3ccc([N+](=O)[O-])cc3c2c1C(=O)OC | unichem_smiles | 35 |
O=C(O)CCc1cccc(-c2ccc(Cl)cc2Cl)c1 | unichem_smiles | 23 |
COc1cccc(C(=O)N(CC[NH+]2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)c1 | unichem_smiles | 46 |
CC(C)n1nc(CCn2c(CCCO)nc3ccccc32)c2cnccc21 | unichem_smiles | 27 |
CC(C)(C)c1nc(N2CCN(CC3CC3CNC(=O)c3cccs3)CC2)cc(C(F)(F)F)n1 | unichem_smiles | 46 |
Fc1ccc(Cc2nc(-c3ccccc3NCc3ccncc3)n[nH]2)cc1 | unichem_smiles | 31 |
Cn1c(S)nc2cc(C(=O)OCCc3ccccc3)ccc2c1=O | unichem_smiles | 30 |
CC(C)c1nc([C@@H]2CNCCCO2)cs1 | unichem_smiles | 20 |
C=C/C=C(C(=C/C=C\C)\C(=O)OC)/[N+](=O)[O-] | unichem_smiles | 36 |
CCc1cc(N(CC(C)N)C2CC2)ncn1 | unichem_smiles | 21 |
[NH3+][C@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@@H]1[NH3+] | unichem_smiles | 41 |
C=CCCOC(=O)[C@H]1[C@@H]2SC3(CC2Br)C(C(=O)N(CC=C)c2c(C)cccc2C)N([C@@H](CO)C(C)C)C(=O)[C@H]13 | unichem_smiles | 73 |
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