text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
CCOC(=O)C1=Nc2ccc(OC)cc2C1=NNN1C[C@@H](C)C[C@H](C)C1 | unichem_smiles | 42 |
C[C@H](N=C(O)[C@@H](Cc1ccccc1)NC(=N)O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2 | unichem_smiles | 61 |
CC(O)=NC(CC(O)=NC(C)c1cccc(Cl)c1)c1c(F)cccc1F | unichem_smiles | 32 |
Cc1cc(Cl)cc(/C=N\Oc2cccc(C(=O)O)c2)c1 | unichem_smiles | 30 |
COc1ccc2c(c1)CCCC2Nc1ccc(F)c(Br)c1 | unichem_smiles | 25 |
CC1=C[C@H](C(C)C)S[C@H]1COc1ccc(C(F)(F)F)cc1 | unichem_smiles | 37 |
CCN(c1cccc(Br)c1CN)C(C)CN(C)C | unichem_smiles | 22 |
CC(=O)c1ccc(SCC(O)=Nc2c(C)nn(-c3ccc(C)cc3)c2C)c(F)c1 | unichem_smiles | 42 |
C(=NOc1ccccc1)c1ccc(N2CCCC2)cc1 | unichem_smiles | 21 |
CCCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1N=C([O-])CCC(=O)O | unichem_smiles | 41 |
Cc1cc(C)cc(CC(N=C(O)C(c2ccncc2)N2CCOCC2)C(O)=NCC#N)c1 | unichem_smiles | 44 |
O=C1C=CC=CC1=C1N=C(N2CCCCCC2c2cccs2)c2cc(F)ccc2N1 | unichem_smiles | 38 |
O=C1C(Br)=CC(Br)=C/C1=C/NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 | unichem_smiles | 45 |
c1ccc2c(-c3ccc4nc(-c5c[nH]c6ccccc56)ccc4n3)c[nH]c2c1 | unichem_smiles | 39 |
CCCN(C(=O)CCC1CCCOC1)C1CCS(=O)(=O)C1 | unichem_smiles | 27 |
CCc1n[nH]c(=NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)s1 | unichem_smiles | 43 |
CCC(N)C(O)=Nc1c(C)n[nH]c1C | unichem_smiles | 23 |
CCCCc1ccc(SN2CCc3cc(C(O)=NO)cc(OC)c3C2)cc1 | unichem_smiles | 29 |
CCCCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12 | unichem_smiles | 28 |
O=c1c2cnn(-c3cccc(Cl)c3)c2nc2n1C(CC(O)=Nc1ccc(Br)cc1F)CS2 | unichem_smiles | 43 |
Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)c1 | unichem_smiles | 39 |
CC(C)(C)Sc1ccc(C(=O)N2CCC3(CC2)CN(CC(F)(F)F)CC(c2ccccc2)O3)cc1 | unichem_smiles | 46 |
CC(C)[C@@H]1N=C(O)[C@@H]2[C@H](C)CCN2C(=O)CN=C(NC(C(O)=NC(C(O)=N[C@@H](C=N/C=C\S)CC(=O)N2CCSC2)[C@@H](C)c2ccccc2)C(C)(C)C)C(C(C)(C)C)N=C1O | unichem_smiles | 113 |
Cc1c(C(=O)OCC(C)C)sc2[nH]cnc(=Nc3ccccc3Cl)c12 | unichem_smiles | 37 |
O=C1c2ccccc2CN1N=C(O)c1ccccc1NCc1cccnc1 | unichem_smiles | 28 |
FC(F)(F)Oc1ccccc1NCc1cnccn1 | unichem_smiles | 19 |
CCN=c1ccc(C(=O)N(C)C(C)CSC)c[nH]1 | unichem_smiles | 29 |
CCS(=O)(=O)N(C)c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 | unichem_smiles | 35 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(O)=NN=C(O)/C=C/c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)CC(C)CN(C)[C@H](C)[C@@H](OC(O)=NCc2ccccc2)[C@]1(C)O | unichem_smiles | 164 |
C=CC(O)C(Cl)C(Cl)C(Cl)CCCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C | unichem_smiles | 43 |
Clc1cc(Nc2cccc(Cl)c2Br)c(Cl)nn1 | unichem_smiles | 22 |
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(O)=NC(COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O)C(O)CCCCCC | unichem_smiles | 110 |
CCS(=O)(=O)C1CCC(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)C1 | unichem_smiles | 45 |
CCC(CN)Cc1ccc2c(c1)N=C(O)C(C)O2 | unichem_smiles | 26 |
CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC(F)F)NC(O)=N1 | unichem_smiles | 37 |
Cc1cc(-n2c(C)cc(C(=O)N(C)[C@H](CO)c3cccc(F)c3)c2C)no1 | unichem_smiles | 43 |
CC.CCCCCC(O)c1ccc(N2CC(O)CC2=O)cc1.COCc1ccc(C(=O)O)s1 | unichem_smiles | 40 |
OC(/C=C/c1ccc(OC(F)F)cc1)=NN=C(O)Cc1ccccc1 | unichem_smiles | 31 |
CCc1cc(CC(O)C2CC2C)n(C)n1 | unichem_smiles | 21 |
Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC(O)=NCc1ccccc1 | unichem_smiles | 37 |
CN(C(=O)CC[C@@H](N=C(O)c1cc(Cl)cc(Cl)c1)C(=O)N1CCC2(CCCC2)CC1)C(Cc1ccccc1)C(=O)O | unichem_smiles | 63 |
OC(=Nc1c(Br)cc(F)cc1Br)c1ccccc1-n1cccn1 | unichem_smiles | 29 |
CCC(=O)C=CCC[C@H](OC(C)(C)C)[C@H](C)COCc1ccccc1 | unichem_smiles | 34 |
c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-c4ccc5c(c4)sc4ccccc45)c4ccccc4n3)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4ccccc4n3)cccc21.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c(-c3nc(-c4cccc5c4oc4ccccc45)c4ccccc4n3)cccc21 | unichem_smiles | 175 |
Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Br | unichem_smiles | 24 |
N#CCCn1cc(CNCC(O)c2ccco2)c(-c2ccccc2)n1 | unichem_smiles | 28 |
Cc1ccnc(NN=C(O)C2COc3ccccc3C2)c1 | unichem_smiles | 25 |
CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCCC(Cn2cncn2)C1 | unichem_smiles | 37 |
CCCOc1cccc(CCCOS(C)(=O)=O)c1 | unichem_smiles | 18 |
NC(N=C(N=CC1=CC=CCC1)c1cccc(C2=CC=CCC2)c1)C1=CC(C2=CC3=C(CC2)OC2C=CC=CC32)=CC(c2ccc3oc4c(c3c2)CCC=C4)C1 | unichem_smiles | 78 |
CN1CCN(c2cc(C(=O)N=c3ccn(CCC(=N)O)[nH]3)ccn2)CC1 | unichem_smiles | 39 |
COc1cccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 | unichem_smiles | 49 |
C=N[NH+]([O-])CC(F)(F)COC(=O)Cc1ccc(-c2cccc(C)c2)cc1 | unichem_smiles | 39 |
Cc1cccc(-c2nc(C)c(C(C)C)c(O)n2)n1 | unichem_smiles | 28 |
Cc1ccc(SCC(=O)OCc2cc(=O)n3cccc(C)c3n2)c(C)c1 | unichem_smiles | 36 |
Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc[nH+]c3c1CCC3)CCO2 | unichem_smiles | 40 |
CC1=NCC(C)=C1c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3ccc(F)c(F)c3)C3CCOCC3)c2c1 | unichem_smiles | 57 |
CC(OC(=O)C(C)c1cccnc1)c1nc2ccccc2n1C(F)F | unichem_smiles | 31 |
N=C(O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 | unichem_smiles | 27 |
Cc1ccc(-c2nc(=O)n(C)c3c(C)c(C)c(C)c(C)c23)cc1C | unichem_smiles | 40 |
N#Cc1cccc(N=C(O)C[N+]2=NC(=O)c3ccccc3C2=O)c1 | unichem_smiles | 37 |
Cc1cc(C)c(CNCC(=O)N(C)CCc2ccccn2)c(C)c1 | unichem_smiles | 32 |
COC(O)=Nc1ccc(NC(=O)c2ccc(-c3ccco3)nc2O)cc1F | unichem_smiles | 32 |
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(C)CCCOC)cc1 | unichem_smiles | 35 |
C[C@H]1CN(S(=O)(=O)NCC(=O)N2CCCc3ccccc32)[C@@H](C)CO1 | unichem_smiles | 40 |
c1cc(NC2CCN(C3CC3)C2)cc(-n2cccc2)c1 | unichem_smiles | 26 |
CCCCOc1ccc(C[NH2+]Cc2ccc3ncccc3c2)cc1OC | unichem_smiles | 26 |
O=C1C[C@H](c2ccc(F)cc2)[C@H](n2cncn2)C([O-])=C1[C@H]1NCCc2ccccc21 | unichem_smiles | 51 |
O=C(CSc1nccn2nc(-c3ccccc3)cc12)N1CCN(c2ccccc2F)CC1 | unichem_smiles | 36 |
N#Cc1ncccc1NCCCCCC(=O)O | unichem_smiles | 16 |
FC(F)Cc1c[nH]c2ccc(Br)cc12 | unichem_smiles | 20 |
CC1=C(C(=O)O[C@H]2CC[C@H](C)CC2)[C@@H](c2ccccc2)NC(O)=N1 | unichem_smiles | 44 |
CCCCN=C(O)C(O)C(O)C(Cc1ccc(Cl)cc1)N=C(O)C(OC(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)C | unichem_smiles | 60 |
N#Cc1ccc2c(c1)[N+](S(=O)(=O)c1ccccc1)=C=N2 | unichem_smiles | 33 |
C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC)cc1 | unichem_smiles | 29 |
COc1ccc(OCC(=O)N=c2[nH]n(C)c3c2C[C@H](C)C(=O)N3)cc1 | unichem_smiles | 45 |
NCC(N)(c1ccccc1)c1nccs1 | unichem_smiles | 17 |
COC(=O)c1cc(Cn2c(O)c3c(c2-c2ccc(Cl)cc2)C(=O)N=C3c2ccc(Cl)cc2)cc(C(=O)O)c1 | unichem_smiles | 62 |
CCc1cccc(CC)c1N=C(O)N(C)Cc1ccc2c(c1)OCCO2 | unichem_smiles | 33 |
CC(C)C(O)C(Cc1ccc(F)cc1)C(=O)c1ccccc1 | unichem_smiles | 30 |
COc1cc(F)ccc1N=C(O)NN=C(O)Cc1ccncc1 | unichem_smiles | 28 |
COC(=O)Cn1ncc(NC(CN)C(C)C)c(Br)c1=O | unichem_smiles | 30 |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(Cl)cc4)CC3)c21.Cl | unichem_smiles | 52 |
CSCOC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C | unichem_smiles | 63 |
CCCN(CCC)C(=O)c1cc(C)cc(C(O)=N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CN[C@@H](CC)c2ccccc2)c1 | unichem_smiles | 64 |
CCNc1ncc(Br)cc1C(O)=Nc1c(Cl)cc(C)nc1Cl | unichem_smiles | 29 |
COc1cc(/C=N\NC(S)=N[C@@H]2CCCC[C@H]2C)ccc1OC(F)F | unichem_smiles | 36 |
O=C(c1cccnc1Cl)N1CCCN(Cc2nc(-c3cccc(F)c3)no2)CC1 | unichem_smiles | 35 |
CC(=S)SCCN=C(O)CSC(C)C | unichem_smiles | 19 |
Cc1ccc([C@H](CN)CCc2ccco2)cc1 | unichem_smiles | 20 |
CC.CC.CC1(C)CCC1Oc1ccc(O)cc1.CC1COC1Oc1ccc(O)cc1 | unichem_smiles | 35 |
CC(C)(C)NCc1occc1COCc1ccccc1 | unichem_smiles | 19 |
CC(C)(C)Cc1ccc(-c2ccnc(-c3cc4c(-c5cc(-c6ccccc6)cc(-c6ccccn6)c5)cccc4c4c3oc3ccccc34)c2)cc1 | unichem_smiles | 60 |
CCC(CC)CNC(=NC)NCC1CC1 | unichem_smiles | 15 |
COC(=O)C(NC(O)Cc1ccc(-c2ccccc2)cc1)C1=NCCC=C1 | unichem_smiles | 34 |
CCOC(=O)c1c(N=C(O)[C@H]2CCCN(c3ncccn3)C2)sc(C)c1C | unichem_smiles | 41 |
Cc1nc(SCC(=O)N2CCC(C)CC2)n[nH]1 | unichem_smiles | 26 |
CC(CO)Nc1ccsc1 | unichem_smiles | 10 |
CCOc1ccccc1N1CCN(C(C)C(O)=Nc2cccc(Cl)c2Cl)CC1 | unichem_smiles | 33 |
CCCN=C(O)c1cc(N=C(O)CN2CCC(C(O)=NC(C)C(O)=Nc3cccc(C(O)=Nc4c(F)cccc4F)c3)CC2)ccc1Cl | unichem_smiles | 62 |
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