text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CC(C)CC(CCO)CN=C(O)C(O)c1ccccc1 | unichem_smiles | 24 |
C#CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.CC(C)CC=N[S@](=O)C(C)(C)C.CC(C)C[C@@H](/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N[S@](=O)C(C)(C)C.CN[C@H](/C=C/CC(=O)O)CC(C)C.O | unichem_smiles | 130 |
OCc1cccc(C(O)=Nc2cn(Cc3cccc(Cl)c3)cn2)c1 | unichem_smiles | 29 |
CC/C=C\C=C/C=C/CO | unichem_smiles | 15 |
O=C(O)Cn1nnnc1-c1nnnn1-c1ccccn1 | unichem_smiles | 24 |
COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc4c(c3)OCCO4)C2c2ccccc2OC)cc1 | unichem_smiles | 49 |
[N-]=[N+]=NN=C(O)C=Cc1ccc(F)cc1 | unichem_smiles | 25 |
CCCOc1cncc(C2=CCC3C4CCC5=CCN(C)CCC5(C)C4CCC23C)c1 | unichem_smiles | 35 |
CS(=O)(=O)c1ccc2c(c1)CCN2C(O)=NC1CCN(Cc2ccc(C(F)(F)F)nc2)CC1 | unichem_smiles | 47 |
COc1ccc(NC(=O)CCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 | unichem_smiles | 33 |
CC1(C)CCC(Cn2ccc(C(O)C(F)(F)F)c2)O1 | unichem_smiles | 29 |
Cc1occc1C(O)=NC1CCN(CC(=O)Nc2cc[nH+]n2[C@H](C)C2CC2)CC1 | unichem_smiles | 45 |
COOSc1ccc(C(O)C(N)CO)cc1 | unichem_smiles | 18 |
CO[C@@H]1CCN(c2ccc(C(=O)NCc3cncc(-c4ccsc4)c3)cc2)C1 | unichem_smiles | 39 |
CCC1CN(Cc2ncc(C(C)C)o2)CCN1CC(C)O | unichem_smiles | 27 |
N#CCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 | unichem_smiles | 42 |
Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1C | unichem_smiles | 44 |
COc1cc2nc(SCc3ccccc3Cl)n(N)c(=O)c2cc1OC | unichem_smiles | 29 |
CC(C)(N)Cc1cc(F)c2ncccc2c1 | unichem_smiles | 20 |
CCCCCCCCCCCCC(C)(C)[N+](C)(C)C(C(=O)O)(C(N)C(C)O)S(=O)(=O)O | unichem_smiles | 44 |
Cn1nc(C(=O)NCc2ccnc(-c3cccnc3)c2)ccc1=O | unichem_smiles | 29 |
[Ir].[c-]1cccc2c1-c1ncccc1-c1ccccc1O2.[c-]1ccccc1-c1cc(-c2ccccc2)ccn1 | unichem_smiles | 47 |
O=C(N1CCC(CCNCCC2CCCC2)C1)N1c2ccccc2N=C(O)c2cccnc21 | unichem_smiles | 36 |
Cc1nc(CN)sc1-c1nc2c(O)nc(=N)[nH]c2[nH]1 | unichem_smiles | 33 |
CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCC(O)=NCC(O)=NC(C)C | unichem_smiles | 40 |
N#Cc1cc(NC(=O)CCN=C(O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)ccc1F | unichem_smiles | 56 |
CCCCOC(C)C(O)=NC(CC)COC | unichem_smiles | 15 |
COc1ccccc1CN1CCN(C(=O)N(C)C)CC1 | unichem_smiles | 24 |
COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCCCOc5cc6c(cc5OC)C(=O)N5CC7(CC7)CC5CN6)cc4NC3C2)cc1 | unichem_smiles | 63 |
Cc1cc(S(=O)(=O)Nc2ccc(-n3ccnc3)cc2)c(Cl)cc1Cl | unichem_smiles | 34 |
COc1ccccc1/C=C/C(O)=[NH+]Cc1cc[nH+]c(N2CCN(C)CC2)c1 | unichem_smiles | 42 |
CC(O)CCc1ccc(OCC(O)=NC2CCOc3ccccc32)cc1 | unichem_smiles | 26 |
CC1(C(=O)O)CCCCN1CC(O)=NC1CC1 | unichem_smiles | 21 |
COC(C)(C)C(O)=NCCN(C(=O)OC(C)(C)C)C1CC1 | unichem_smiles | 32 |
OC(=NNc1nc(-c2ccncc2)no1)c1cc(-c2cccs2)on1 | unichem_smiles | 30 |
CS(=O)c1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nn(-c2ccccc2Cl)c1-c1ccc(Br)cc1 | unichem_smiles | 52 |
CCCNCc1ccn(CC2CCCCC2)n1 | unichem_smiles | 15 |
Cc1ccc(CC(N)CCC(=O)O)cc1Cl | unichem_smiles | 19 |
CCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cccc3ccccc23)c1 | unichem_smiles | 32 |
COc1ccc(OCCC(C)(C)OC)c(CO)c1 | unichem_smiles | 20 |
CCN(Cc1cc(Br)ccc1OC)C(C)CS(C)(=O)=O | unichem_smiles | 26 |
N=C1C=C(c2cccc(-c3ccccn3)n2)C=C(c2cccc(-c3ccccn3)n2)/C1=N\NC1=CC=C(c2ccc3ccccc3c2)CC1 | unichem_smiles | 62 |
CC(N)CC/C=C/c1ccc2nc[nH]c2c1 | unichem_smiles | 23 |
O=C(CBr)Cc1ccc(I)cc1[N+](=O)[O-] | unichem_smiles | 26 |
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(O)=Nc1ccccc1C | unichem_smiles | 43 |
COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2=O)[C@]4(O)CC[C@]12N=C(O)N=C2O | unichem_smiles | 62 |
C=C(C)C1CCC2(COC(=O)CCC(=O)O)CC[C@@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@]43C)C12 | unichem_smiles | 67 |
[N-]=[N+]=NC(COCc1ccccc1)C(Cl)(Cl)Cl | unichem_smiles | 25 |
N#Cc1ccc(OC(F)(F)F)cc1S | unichem_smiles | 18 |
CC(=O)N1C(C)CN(c2cc(-n3cnc(Nc4ccc(N)cc4)n3)ccn2)CC1C | unichem_smiles | 42 |
CC(C)CNS(=O)(=O)c1ccc(CN=C(O)c2ccc(F)cc2O)cc1 | unichem_smiles | 35 |
CCC1(c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)CCC(O)=NC1=O | unichem_smiles | 33 |
Cc1cc(C(=O)NCC(=O)O)ccc1O | unichem_smiles | 21 |
Cc1[nH]c2cccc(F)c2c1[C@H]1CCNC1 | unichem_smiles | 26 |
O=C1N(Cc2cc3c(cc2Br)OCO3)C(O)=NC12CCCCC2 | unichem_smiles | 30 |
CC(C)c1[nH+]c(CN(C)Cc2cc(Br)cs2)no1 | unichem_smiles | 29 |
OCC(Nc1ncccn1)c1cccc(Br)c1 | unichem_smiles | 19 |
CCNCCC(C)(O)CC1CCOc2ccccc21 | unichem_smiles | 17 |
[N-]=[N+]=Nc1ccc(Cl)cc1-c1ccc2ccccc2c1 | unichem_smiles | 27 |
Nc1c(Br)cccc1C(O)=NCCCN=CO | unichem_smiles | 18 |
CCCN[C@H](CC(=O)O)C(=O)c1ccc2c(c1)OCO2 | unichem_smiles | 31 |
CO[C@]1(C)C[C@@H](C)CN(C)[C@@H](C(=O)N2CCN(CC(C)C)CC2)[C@H](C)OC(=O)C(C)(C)C(=O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O | unichem_smiles | 110 |
CCCN(C)C.CCC[N+](C)(C)CCO.Cl.OCCCl | unichem_smiles | 24 |
O=C(O)c1occc1COc1ccc([N+](=O)[O-])cc1F | unichem_smiles | 28 |
COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)N(C)C)s2)cc1OC | unichem_smiles | 41 |
CCCC(O)CN(CCCOC)Cc1cccn1C | unichem_smiles | 16 |
CCC1CCCCN1C(O)=Nc1ccc2occ(C)c2c1 | unichem_smiles | 22 |
C=C(CC/C=C/c1cccc(Cl)c1)C(=O)O | unichem_smiles | 25 |
CCCC/C=C/CCOS(=O)(=O)OCC/C=C/CCCC | unichem_smiles | 23 |
C=CCC(CC=C)C(O)=NCc1ccc(N2CCOC(C)C2)nc1 | unichem_smiles | 29 |
CC(=O)N1CCCc2cc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)ccc21 | unichem_smiles | 39 |
CC(=NO)c1ccc(F)cc1OCC(=O)N1CCCC1 | unichem_smiles | 23 |
C[C@H]1CN(CC(O)=N[C@H]2CC[C@@H](C)CC2)C[C@@H](c2ccccc2)O1 | unichem_smiles | 45 |
CC(=O)C1=C(C)[C@H](C(=O)N(C)CCOc2ccc(C)cc2)N=C1C | unichem_smiles | 41 |
CC1=C(C(O)=Nc2ccc3[nH]nc(-c4ccnc(N5CCNCC5)c4)c3c2)C(C)(C)n2nnnc2N1C | unichem_smiles | 54 |
Cc1cccc(OCCN(C)C(C)C(O)=[NH+]CC(O)=Nc2c(C)cccc2C)c1 | unichem_smiles | 40 |
COc1ccc(-c2ncsc2C(=O)O)cc1 | unichem_smiles | 19 |
CCCCCCCCCc1ccc(-c2ncc(OCCCCCCCCCC3CCCC3)cn2)cc1 | unichem_smiles | 25 |
Cc1cc(=NC(=O)c2cccc(C#CCN)c2C)[nH]o1 | unichem_smiles | 29 |
O=C(c1ccncc1)N1CCO[C@@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 | unichem_smiles | 41 |
N#Cc1ccc(C[C@@H]2C(=O)CC3(CCCCC3)C[C@H]2O)cc1 | unichem_smiles | 37 |
CN(C(=O)c1ccccc1N=C(O)OCc1ccccc1)c1ccc(F)cc1 | unichem_smiles | 33 |
OC1CNCC1Oc1ccc(I)cc1 | unichem_smiles | 14 |
Cc1ccc(F)cc1CC(=O)c1cc(Br)ccc1F | unichem_smiles | 23 |
Cn1c(CNC(O)=NCc2ccc(C#N)cc2)nc2ccccc21 | unichem_smiles | 27 |
O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 | unichem_smiles | 39 |
Cc1ccc([N+](=O)[O-])cc1OCCC(C)(C#N)NC(C)C | unichem_smiles | 30 |
O=C(c1cc(-c2cccnc2)on1)N1CCN(Cc2ccc(Cl)cc2)CC1 | unichem_smiles | 34 |
Cc1[nH]c2ccc(C3(C(=O)O)CC3)cc2c1C | unichem_smiles | 29 |
CCN(CC)C(=O)Cn1cc(-c2nc3ccc(C(=O)OC)cc3n(CCOCCN)c2=O)c2ccccc21.O=C(O)C(F)(F)F | unichem_smiles | 61 |
CC.CC(C)(C)OC=O.COc1ccc(-c2cc3c(cn2)CCc2c-3[nH]c3c2C(O)=NC2(C3)CN(C)C2)cc1 | unichem_smiles | 59 |
CC(C)C[C@H](N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)[C@H](CCCCN)N=C(O)[C@H](Cc1cnc[nH]1)N=C(O)[C@H](CO)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](N)CCC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1ccccc1)C(=O)O | unichem_smiles | 196 |
Cc1cccc(C)c1N1C(=O)c2c(Br)c(Br)c3c4c(c(Br)c(Br)c(c24)C1=O)C(=O)N(c1c(C)cccc1C)C3=O | unichem_smiles | 71 |
c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c6c(c2B4c2ccccc2O3)Oc2ccccc2B6c2cc3c(cc2N5c2ccccc2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2cc3c4c(c2)Oc2cc5c6c(c2B4c2ccccc2O3)Oc2ccccc2B6c2cc3c(cc2N5c2ccccc2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)cc1.c1ccc(... | unichem_smiles | 458 |
Cc1cccc(N=c2[nH]nc(S[C@@H](C)C(O)=NC(O)=NC(C)(C)C)s2)c1 | unichem_smiles | 44 |
O=C(c1cocn1)N1Cc2ccnn2CCC1CN1CCOCC1 | unichem_smiles | 26 |
CCN(C(=O)/C=C/c1ccc(F)cc1)[C@@H](C)c1cccc(OC)c1 | unichem_smiles | 35 |
O=C(O)C1(CN2CCC(CN[C@@H]3CC3c3ccccc3)(Cc3ccc(F)cc3)CC2)CCC1 | unichem_smiles | 43 |
C=C[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](COC(=O)CCl)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 | unichem_smiles | 84 |
Cn1c(Cl)cnc1CNCC(C)(C)CO | unichem_smiles | 18 |
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