text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
COC(=O)c1cc(OC)c(S(=O)(=O)N(C)C2CCNC2)s1.Cl | unichem_smiles | 36 |
c1ccc(-c2nc3cc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c(-c4ccccc4)cccc23)cc1 | unichem_smiles | 62 |
COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc(C)cc2c1I | unichem_smiles | 35 |
CCCN1C(=O)/C(=C/c2c(N3CC[NH+]=C(O)[C@H]3CC(=O)OC)nc3ccccn3c2=O)SC1=S | unichem_smiles | 54 |
Cc1ccc(C(=O)N2CCC(N(Cc3cccs3)CC(C)C)CC2C(O)=NCC2CCC(CN)CC2)cc1 | unichem_smiles | 47 |
O=C(NNc1ccc(F)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 | unichem_smiles | 34 |
CCCCCN(C#N)C(C)=O | unichem_smiles | 12 |
N#Cc1nccnc1OC1CCCN(C(O)=Nc2cccc3ccccc23)C1 | unichem_smiles | 29 |
O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nc3cc(Cl)cnc3[nH]2)c1 | unichem_smiles | 41 |
CCN(CC(C)C(=O)O)C1CCCC1O | unichem_smiles | 19 |
Cn1c(=O)c2c(n(Cc3ccccc3F)c1=O)=NNC(=C1C=CC(=O)C=C1)N=2 | unichem_smiles | 48 |
CCN1CCC(N=C(O)c2cc(Cl)c(N)cc2OC)C1 | unichem_smiles | 27 |
O=C(c1ccccc1N=C(O)C(Cl)(Cl)Cl)N1CCCC1 | unichem_smiles | 27 |
C1=C[CH]C(c2cc(-c3ccc4ccccc4n3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)=CC=1.[Al].[H].[H] | unichem_smiles | 59 |
Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] | unichem_smiles | 37 |
CS[C@@]1(N=C(O)C(N=C(O)N2CCN(S(C)(=O)=O)C2=O)c2cscn2)C(=O)N2C(C(=O)O)=C(CSc3ccc4nnnn4n3)CS[C@@H]21 | unichem_smiles | 83 |
CCC(C)N=C(O)CS(=O)c1ccc(Cl)c(Cl)c1 | unichem_smiles | 27 |
COc1nc(OC)nc(OCc2cccc3ccccc23)n1 | unichem_smiles | 20 |
OCC(O)COCc1ccc(COCC(O)CO)nc1 | unichem_smiles | 20 |
COC[C@@]1(C)N=C(O)N(CC(O)=NCC2CCC2)C1=O | unichem_smiles | 32 |
CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cc4)cc3)c3cccc4c3-c3ccccc3C4(C)C)cccc21.CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)c5ccccc45)cc3)c3cccc4c3-c3ccccc3C4(C... | unichem_smiles | 224 |
Cc1nnc(N=C(O)C23CC4CC(C)(CC(C)(C4)C2)C3)s1 | unichem_smiles | 35 |
COc1ccc(C)cc1N=C(O)CN=C(O)COC(=O)C(N=C(O)c1ccccc1Cl)C(C)C | unichem_smiles | 47 |
FC(F)=C1CC(F)C(F)(C(F)(F)F)C1(F)F | unichem_smiles | 28 |
Cc1ccc(C(=O)C(C)OC(=O)c2cccc(C#N)c2)cc1C | unichem_smiles | 33 |
CCOc1ccc(-c2nnc(C3CC(NC)C3)n2-c2ccccc2F)nc1 | unichem_smiles | 32 |
Cc1nnc2ccc(N3CC(CN=C(O)C4CCC4)C3)nn12 | unichem_smiles | 28 |
CC(C)(O)CCC(CC(O)C(Cc1ccccc1)N=C(O)c1cnccc1C(F)(F)F)C(=N)O | unichem_smiles | 46 |
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=Nc1ccc(C(=O)O)cc1 | unichem_smiles | 45 |
Cc1cc2nc(NN)c(-c3ccccc3)cc2cc1Cl | unichem_smiles | 22 |
CCNc1ncnc(N2CCCC(C)C2C)c1Br | unichem_smiles | 20 |
C[C@@H](Cl)Cc1ccnc2ccccc12 | unichem_smiles | 17 |
CCC/N=c1\c([NH+]=C(O)c2cc(OC)c(OC(=O)OCC)c(OC)c2)c(O)oc2ccccc12 | unichem_smiles | 48 |
CC(=O)OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=[N+]([O-])C2 | unichem_smiles | 41 |
Cc1ccc(NC(O)=NCC2CC=Cc3nc(C)n(C4CCC(O)=NC4=O)c(=O)c32)cc1C | unichem_smiles | 45 |
Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2c(C)noc2C)n1 | unichem_smiles | 37 |
C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCN(c4cccc[nH+]4)CC3)ccc2c1 | unichem_smiles | 46 |
Cc1cncc(CNC(O)=NCCCCN2CCCC2)c1 | unichem_smiles | 20 |
CCCCCCCCCCCCCCC1OCOC1CCC(O[Si](C)(C)C)C1CCC(CCCCCC(CC2=CC(C)OC2=O)O[Si](C)(C)C)O1 | unichem_smiles | 51 |
CN(Cc1ccc(O)cc1)C(=O)CCc1nc(C(C)(C)C)no1 | unichem_smiles | 32 |
N#CC[C@@H]1C[C@H]1C(O)=Nc1cc2cc(-c3cnccc3CCO)nc(N)c2cn1 | unichem_smiles | 43 |
C=CCOC1C(O)C(O)C(OCC=C)C(OCc2ccc(OC)cc2)C1O | unichem_smiles | 35 |
CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC2Cc3ccccc3C2)cc1 | unichem_smiles | 52 |
Cc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1O | unichem_smiles | 34 |
C=NC(=C\C=C(/C)OCc1c(-c2ccc(C(F)F)cn2)nnn1C)/C(/C=N\CCCC)=C/C | unichem_smiles | 47 |
CCCN=C(O)CCC(O)=Nc1nc(-c2ccc(C)c(C)c2)cs1 | unichem_smiles | 31 |
CN1CCC(Cc2cnc(Cl)s2)/C1=N\C#N | unichem_smiles | 23 |
Cc1cccc(CCCN(C)[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)c1 | unichem_smiles | 64 |
C[C@@H]1CCc2sc(C(=O)O[C@H](C)c3nc(O)c4ccccc4n3)cc2C1 | unichem_smiles | 43 |
CN(Cc1cccc(N(C)C)c1)C(=O)c1sccc1OC(F)F | unichem_smiles | 31 |
CC(C)(C)OC(=O)N1CC(CC(=O)N=c2ccn(CC(F)(F)F)[nH]2)C1 | unichem_smiles | 42 |
CC(C)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 | unichem_smiles | 43 |
CS[C@H]1CCC[C@H](N=c2ccc3ncc[nH]c-3n2)C1 | unichem_smiles | 33 |
Cl.N[C@H](C(=O)[O-])C1CCCCC1 | unichem_smiles | 21 |
Cc1ccc(C(=O)N2CCC(C)CC2)cc1N=C(O)CN1CCC(C(O)=NC(C)C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)CC1 | unichem_smiles | 66 |
COc1ccc(Cl)c(NC(C)c2ccc([N+](=O)[O-])cc2)c1 | unichem_smiles | 31 |
O=[N+]([O-])c1ccc2ncnc(OCCCl)c2c1 | unichem_smiles | 24 |
CSc1ccc(CC(O)=Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 | unichem_smiles | 33 |
CC.CCCCCCCCOC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1 | unichem_smiles | 40 |
O=C1C[C@@H](CN2CCC(Oc3ccccc3F)CC2)CN1c1ccccc1 | unichem_smiles | 32 |
CCC(C)(CCc1ccc(Cl)cc1)N=C=O | unichem_smiles | 19 |
CN(C)CCNCc1c(C(=O)O)sc2ccccc12 | unichem_smiles | 22 |
CCCN=C(S)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O | unichem_smiles | 36 |
Cc1ccccc1Cn1c(N2CCCC3(CC3)C2)nc2nc(Sc3ccc4ccccc4c3)n(C)c(=O)c21 | unichem_smiles | 47 |
CCNCc1cncc(-c2cc3c(-c4nc5c(-c6cc(F)cc(CCS(C)(=O)=O)c6)nccc5[nH]4)n[nH]c3cc2F)c1 | unichem_smiles | 62 |
CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6C(OC(C)=O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14 | unichem_smiles | 88 |
CN(C(=O)CN1CCN(Cc2ccc(Cl)s2)CC1)C1(C#N)CCCCC1 | unichem_smiles | 35 |
CCn1c(-c2cc(Cl)ccc2C)nnc1S(=O)(=O)Cl | unichem_smiles | 27 |
CCC(CC#N)N1CCSC(C)(C)CC1 | unichem_smiles | 17 |
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@H]2C1=O)Nc1ccc(F)cc1 | unichem_smiles | 62 |
Cc1cc(C)c(-n2c(-c3cccc4ocnc34)n[n+]3ccccc23)c(C)c1 | unichem_smiles | 37 |
CCOC(=O)c1nc2c(s1)C(O)(CF)COc1ccc(Br)cc1-2 | unichem_smiles | 32 |
CC(NCCc1ccccc1)C(=O)c1ccc2c(c1)CCN2 | unichem_smiles | 27 |
Cc1ccc(-c2nc3ccc(O)cc3[nH]2)c(C)n1 | unichem_smiles | 27 |
CCCCc1nc(C(=O)CCC)nn1Cc1ccc(-n2c(-c3nn[nH]n3)ccc2C(C)C)cc1 | unichem_smiles | 43 |
Cc1ccc(-c2nc(=N)c(Br)c[nH]2)nc1 | unichem_smiles | 25 |
COc1ccc(OCCN=C(O)[C@H]2CCCN(CCC#[NH+])C2)cc1 | unichem_smiles | 32 |
C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1C(O)=NC1CC1 | unichem_smiles | 39 |
CC(C)N=C(O)c1ccc(Cl)c(NC(O)=N[C@@H]2CCOc3ccccc32)c1 | unichem_smiles | 39 |
CCN=C(O)N1CC[C@H](N=C(O)c2ccc3nc(S)oc3c2)C1 | unichem_smiles | 36 |
CCC1OCCC1C(O)C1CCC1 | unichem_smiles | 13 |
Cc1cccc(CN=C(O)CC(O)=Nc2ccccc2F)c1 | unichem_smiles | 25 |
C=CCc1c(OCC(=O)O)c(CC=C)c2oc(-c3ccc(OC)cc3)cc(=O)c2c1O.CC=COCC(=O)O | unichem_smiles | 54 |
C/C=C(\C=C(/C)C(C)C)c1cnc2n1CCN[C@@H]2C | unichem_smiles | 34 |
N#CCCNC1CCC(F)(F)C1 | unichem_smiles | 13 |
COCCNc1cc(C(=O)O)ccc1F | unichem_smiles | 17 |
CNC1(c2c(N=CO)c(C)cc3nc(C(N)=O)oc23)CCCCC1 | unichem_smiles | 32 |
CCCCCCCC/C=C\CCCCCCCC(O)=NC(CN)C(O)=NCCN=CC(Cc1ccccc1)N=C(O)CCC(N)C=O | unichem_smiles | 46 |
CC.CC.CC(C)(C)OC(=O)CC(O)(c1ccccc1)c1cc[nH+]c(-c2ccccc2)c1N=C(O)C(C)(C)C | unichem_smiles | 56 |
CC(C)(C)C(=O)Oc1cccc(-c2cccc(-c3cccc(CNN)c3)c2)c1 | unichem_smiles | 34 |
COC(=O)c1ccccc1N=C(O)Cn1c(=O)n(CCCCC(O)=NCCc2ccc(Cl)cc2)c(=O)c2ccccc21 | unichem_smiles | 53 |
NC1(CC(=O)N2CCC(OCCO)CC2)CCC1 | unichem_smiles | 21 |
CCCCOc1cc(C)c(-c2cc(C(=O)O)n(C)n2)cc1C(C)C | unichem_smiles | 35 |
COC[C@H]1CSc2c(Br)c(Cl)cc3c(O)nc(=O)n1c23 | unichem_smiles | 34 |
COc1cc(C(=O)CCN)cc(Cl)c1OC1CC1 | unichem_smiles | 23 |
NNC1CC(F)(F)C1(F)F | unichem_smiles | 15 |
OC[C@H]1O[C@@H](Sc2nc3ccccc3o2)[C@H](O)[C@@H](O)[C@@H]1O | unichem_smiles | 41 |
C=C(/C=C\C=C(/C)C(=N)N1CCCCC1=N)N=C(O)c1cc2c(cc1F)CCN(C(=O)N1CCOCC1)C2 | unichem_smiles | 60 |
CC(=O)N1CCc2ccc(O[C@H](C)C(=O)N(C)Cc3ccco3)cc2[C@@H]1c1cccc(F)c1 | unichem_smiles | 52 |
COc1cc(C(O)C(COC2OCC(OC(=O)c3ccccc3)C(OC(=O)c3ccccc3)C2OC(=O)c2ccccc2)Oc2ccccc2OC)ccc1OCc1ccccc1 | unichem_smiles | 70 |
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