text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
OC(Cc1ccc(Cl)cc1)=NN=C(O)CC1CCCCC1 | unichem_smiles | 23 |
CC[C@H]1CCCCN1CC(=O)Nc1ccc(C#N)cc1 | unichem_smiles | 26 |
CCN1CCN(C2CCN(C(O)=NC3C4CCOC4C34CCC4)C2)CC1 | unichem_smiles | 32 |
COc1cc(OC)c(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OC)c1.[Li] | unichem_smiles | 43 |
Cc1nc(-c2c(C)c(C)cc(C)c2C)c(Br)o1 | unichem_smiles | 29 |
[N-]=[N+]=Nc1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1CF | unichem_smiles | 37 |
CC1(C)CCC(N2CCN(c3ccccc3)C(=O)C2)C1.O=CO | unichem_smiles | 32 |
CCNCc1cnc(N2CC(O)CC2CN(C)C)c(C)c1 | unichem_smiles | 27 |
CCC(N)C(OC(C)CC(C)C)c1ccc(C)cc1 | unichem_smiles | 24 |
OC(=Nc1nc(Cl)ccc1Cl)c1cc(C2CC2)nc2ccc(F)cc12 | unichem_smiles | 31 |
CCc1oc(C(=O)NC[C@]2(O)CCOC2)cc1C | unichem_smiles | 26 |
C=C1CCC2C1CCC1c3ccc(O)cc3CC(CCCCCCCCCCC(=O)N(C)CCCC)C12 | unichem_smiles | 35 |
CC(O)=N/C=C/CCCCl | unichem_smiles | 12 |
CCOCC1CCN(C(=O)c2sc(Br)nc2C)C1 | unichem_smiles | 24 |
Cc1cc(S(C)(=O)=O)ncc1-c1nnc2cc[nH]c(=N)n12 | unichem_smiles | 35 |
CCOC(=O)C1=C(COc2cc(C)cc(C)c2C)N(CC)C(O)=NC1c1cccc(Cl)c1 | unichem_smiles | 44 |
CC(C)N(C)CC=Cc1ccc(-n2ccc(OCc3ccc(Cl)cc3)cc2=O)cc1 | unichem_smiles | 36 |
COc1cccc(OC(C)=O)c1N=C(O)NC(C)(C(C)(C)F)C(C)(F)F | unichem_smiles | 38 |
Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccnn1C | unichem_smiles | 28 |
OC(=NCCOc1ccccc1)N1CCCCC1c1cn[nH]c1 | unichem_smiles | 26 |
CC(C)(C)N(c1nc(-c2ccccc2)cs1)c1cnc(Cl)nc1Cl | unichem_smiles | 31 |
NS(=O)(=O)OCC12OCC3OC4(CCCCC4)OC3C1OC1(CCCCC1)O2 | unichem_smiles | 34 |
COCCOc1c(Cl)cccc1NC(O)=NCc1c(C)cc(C)nc1OC | unichem_smiles | 29 |
COc1cc(CCN=C(O)C=Cc2ccccc2C)ccc1O | unichem_smiles | 25 |
CC(C)COCCCNc1cc(N2CCCCC2)ncn1 | unichem_smiles | 20 |
Cn1c(=O)nc(O)c2c1[nH+]c(N1CC[NH2+]CC1)n2CCCOc1ccccc1 | unichem_smiles | 43 |
CCC=N/C(C)=C(C)\C(C)=C\CC | unichem_smiles | 19 |
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1N=C(O)CN1CCN(c2ncccn2)CC1 | unichem_smiles | 43 |
CN=c1cc(S(=O)(=O)NCC2CC2)cc[nH]1 | unichem_smiles | 26 |
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NC2CCC(N)CC2)cc1.Cl | unichem_smiles | 38 |
CCN(C(=O)c1ccc(NC(=O)C=Cc2ccc(C)cc2)cc1)c1cccc2ccccc12 | unichem_smiles | 39 |
Cc1nn(C2=NC3C(C(O)=NC(=O)N3C)N2Cc2cccc3ccccc23)c(C)c1C | unichem_smiles | 43 |
CCc1noc(C2(O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)n1 | unichem_smiles | 39 |
Cc1ccc2nc(CCN=C(O)C3CC34CC4)[nH]c2c1C | unichem_smiles | 29 |
Cn1ccc(=NCCc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccc(F)cc3)nc2N)[nH]1 | unichem_smiles | 45 |
O=c1c(-c2nnc(-c3nonc3[N+](=O)[O-])o2)non1O | unichem_smiles | 32 |
CCOC(=O)c1sc2[nH]cnc(=Nc3ccc(F)cc3Cl)c2c1C | unichem_smiles | 34 |
COC(=O)c1cnc(Oc2ccc(Cl)c(Cl)c2)cn1 | unichem_smiles | 27 |
O=C(O)c1cnc(N2CCN=C(O)C2)c([N+](=O)[O-])c1 | unichem_smiles | 36 |
Cc1ccc(NC(O)=NCCCOc2c(C)cccc2C)cn1 | unichem_smiles | 24 |
Cc1ccc2c(c1)N(C(=O)c1nnn(C3CCNCC3)c1C)CC(C)O2.Cl | unichem_smiles | 41 |
Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)C(C)C(O)=NC(C)C)c1 | unichem_smiles | 39 |
C[C@@H]1N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H](Cc2ccccc2)N=C(O)[C@@H]2CCCN2C(=O)C[C@@H](N=C(O)[C@@H](N)Cc2ccc(O)cc2)C(O)=NCC(C(O)=N[C@@H](Cc2ccc(O)cc2)C(=N)O)N=C(O)[C@H](Cc2ccccc2)N=C1O | unichem_smiles | 186 |
[Ir].[c-]1ccccc1C1NC=CC2C=CC=CC21 | unichem_smiles | 22 |
Cc1cc(C)c(N=C(O)CN=C(O)NC2CC(C)OC(C)C2)c(C)c1 | unichem_smiles | 40 |
Cc1cccc(SCCOC(O)=Nc2ccccc2)c1C | unichem_smiles | 21 |
C/C=C/n1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(C)cc2)c1CO | unichem_smiles | 40 |
CC(C)(C)C#C/C=C/C=C/CCl | unichem_smiles | 20 |
CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCc3ccccc3)cc21 | unichem_smiles | 33 |
CC[C@@H]1CN([C@@H]2CCN=C2O)CCN1C[C@H](C)O | unichem_smiles | 33 |
COc1cc(-c2cn(C3CCOCC3)c3ncnc(N)c23)ccc1N=C(O)OCc1ccccn1 | unichem_smiles | 40 |
Cc1cccc(NC(O)=NCCN(C(O)=Nc2ccccc2F)c2ccc(Oc3ccccc3)cc2)c1 | unichem_smiles | 41 |
CN(C)Cc1nc(CSCCNC2=NS(=O)N=C2N2CCCCC2)cs1 | unichem_smiles | 31 |
CCN=C(O)[C@H]1C[C@H](C)C[C@H](C)C1 | unichem_smiles | 30 |
OC(=NCc1ccc(Cl)s1)[C@H]1Cc2ccccc2CN1 | unichem_smiles | 26 |
CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)Cc2ccccc2OC)c1 | unichem_smiles | 36 |
COC(O)=N[C@H](C(=O)N1CCC(c2ccnn2C)CC1)C(C)C | unichem_smiles | 35 |
Nc1cc(C(=O)O)cc(-c2c[c]ccc2)c1 | unichem_smiles | 25 |
OCc1ccc(OC2CCCC(CC[SiH3])C2O)cc1 | unichem_smiles | 21 |
O=C(NCCS(=O)(=O)N1CCSCC1)c1ccc(F)cc1 | unichem_smiles | 29 |
C[C@@H]1CCCC[C@@H]1N=C(O)[C@@H](C)OC(=O)c1ccc(-c2ccc(O)cc2)cc1 | unichem_smiles | 46 |
COC1CCCC1C1COCCN1C(=O)c1nnn(C(C)C)c1C | unichem_smiles | 30 |
COc1cc(C=Nc2ccc(-c3ccc(N)cc3)cc2)ccc1O | unichem_smiles | 27 |
CCOc1cc(C=C2N=C(c3cccc([N+](=O)[O-])c3C)OC2=O)cc(Br)c1OC(=O)c1cccc(C)c1 | unichem_smiles | 55 |
OCCCN(CCO)CC(O)=Nc1ccc(Cl)c(Cl)c1 | unichem_smiles | 24 |
C1=CC=C2C=C(c3ccc(Nc4cccc(-c5ccc(-c6ccccc6)cc5)c4)c4ccccc34)c3ccccc3[C+]2C=1 | unichem_smiles | 55 |
CCOC(=O)c1cn([C@@H](Cc2ccc(O)cc2)C(=O)OC)cc2c(=O)n(-c3ccccc3)nc1-2 | unichem_smiles | 50 |
N=C(O)C(c1ccccc1)N1CCOC(c2ccc(F)c(Cl)c2)C1 | unichem_smiles | 34 |
CC(=O)Oc1cccc(N=C(O)C[C@H]2Sc3ccccc3N=C2O)c1 | unichem_smiles | 36 |
COc1cccc([C@@H]2N=C(O)C(=O)C2=C(O)c2ccc(C)cc2)c1 | unichem_smiles | 39 |
CC(C)(C)CN1CCC2(CC1)CN(C(C)(C)C)CCO2.CC(C)(C)CN1CCN(CNC(C)(C)C)CC1.CC(C)(C)CN1CCN(COC(C)(C)C)CC1.CC(C)(C)CN1CCOC2(CCN(C(C)(C)C)CC2)C1.CC(N1CCN(CNC(C)(C)C)CC1)C(C)(C)C.CC(N1CCN(COC(C)(C)C)CC1)C(C)(C)C.CC(N1C[C@@H]2C[C@H]1CN2CNC(C)(C)C)C(C)(C)C.CC(N1C[C@@H]2C[C@H]1CN2COC(C)(C)C)C(C)(C)C.CCN1CCN(CC)CC1 | unichem_smiles | 241 |
CCN1CCCC1CN=C(O)NCC(c1cccs1)N(C)C | unichem_smiles | 25 |
FC(F)(F)c1cc(OC2CCOCC2)nc(Cl)n1 | unichem_smiles | 23 |
Cc1cc(CCC=NS(=O)C(C)(C)C)ccc1F | unichem_smiles | 23 |
C1CCC1.C=C(C)c1ccc(C#CC(C)(C)C)s1.CC1CCCCC1.CCCN.COc1ncccn1 | unichem_smiles | 44 |
COC(O)=N[C@H]1C/C=C\C[C@@H]2CC[C@@H](C(=O)O)N2C1=O | unichem_smiles | 44 |
Cc1ccoc1C(=O)N1Cc2nccn2C[C@H](Cn2cccn2)C1 | unichem_smiles | 35 |
C#CC=CCCCO | unichem_smiles | 6 |
CC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C(=O)Oc4ccc(C#N)cc4)cc3)CC2)CC1 | unichem_smiles | 54 |
CC(=O)c1c(C)cn2cc(-c3cccc(Cl)c3)nc2c1-c1cc(F)c2c(c1C)CCCO2 | unichem_smiles | 46 |
C=C(C)C(=O)OC1(C(C)C)C(N)CC2CCCC1C2 | unichem_smiles | 30 |
C[N+]1(C)CCS(CCc2ccc(F)cc2)(c2ccc(F)cc2)CC1 | unichem_smiles | 33 |
Cc1nc(NC2CC2)cc(C(O)=NCc2ccc(F)cc2)n1 | unichem_smiles | 28 |
O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)c1ccccc1 | unichem_smiles | 31 |
CC(OC(=O)N=[N+]=[N-])OC(=O)OCc1ccccc1 | unichem_smiles | 27 |
Cc1ncccc1C(O)=NCCNC(=O)c1cc[nH]n1 | unichem_smiles | 26 |
O=C1COCCN1C1=CC=C=C[CH-]1.O[C-]=S.[K+] | unichem_smiles | 32 |
CCC(=O)N(c1ccccc1)C1(OC)CCN(CCn2nnn(CC)c2=O)CC1 | unichem_smiles | 36 |
CC(O)(CC1CC1)c1ccc(O)cc1 | unichem_smiles | 17 |
CC(C)C1C(O)=NCCN1C(=O)C1CCC1 | unichem_smiles | 23 |
Cc1cc(=O)oc2c(C(C)Nc3cccc(Cl)c3)c(O)ccc12 | unichem_smiles | 32 |
CCc1ccc(N)cc1S(=O)(=O)N1CCOC(C)(C)C1 | unichem_smiles | 28 |
COCCCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 | unichem_smiles | 42 |
O=C(Nc1cccc(-n2ccnc2)c1)c1cc(OCC(F)F)ccn1 | unichem_smiles | 32 |
CCCN(c1ccc(OCC)cc1)[C@H](CC)C(=O)O | unichem_smiles | 25 |
CN=c1cc(C(O)=NC(C)C2CCC2)cc(C)[nH]1 | unichem_smiles | 27 |
CCCC(CBr)CC(C)COCc1ccccc1 | unichem_smiles | 16 |
Nc1cc(F)cc2c1CCC2N | unichem_smiles | 14 |
CC(C)c1cccc(C(C)C)c1NC(O)=NC(c1nc(C2CC2)no1)C(C)C | unichem_smiles | 39 |
Cc1ccc(SSC(C)C)nc1 | unichem_smiles | 14 |
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