text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCOc1cccc(CNCC(=O)N(C)C)c1 | unichem_smiles | 20 |
Cc1nc(O)c2c(-c3ccccc3)coc2n1 | unichem_smiles | 21 |
CCC1(C)CCC(C)(CC)C(C)C1 | unichem_smiles | 17 |
CCCN=C(O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 | unichem_smiles | 59 |
CCNC(C)CCC=NO | unichem_smiles | 8 |
C=CCN=c1scc(-c2cc(OC)ccc2OC)n1NC=C1C=CC=C(OC)C1=O | unichem_smiles | 38 |
O=C(NN=C(O)c1ccoc1)c1nn(-c2ccccc2F)c2c1CCC2 | unichem_smiles | 33 |
CC[C@](C)(N)c1cc(Cl)cc(Cl)c1O | unichem_smiles | 22 |
COC(=O)C(C)CC(=O)c1ccc(C)c(Br)c1 | unichem_smiles | 27 |
Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)no1 | unichem_smiles | 47 |
O=C1C(Cl)=C(c2ccccc2)C(=O)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 | unichem_smiles | 44 |
COC(=O)[C@@H]1C(=O)c2ccsc2[C@H]1c1ccc(C#N)cc1 | unichem_smiles | 37 |
CC1CN(Cc2cc(Br)ccc2O)CCN1 | unichem_smiles | 18 |
COc1ccc(OC)c(N(CC(O)=N[C@H](C)c2cc(C)c(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1 | unichem_smiles | 56 |
C1CCOC1.C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC1=[C+]C(CCN)=CC=C1.CCCc1ccc(Br)cc1.Cc1cccc(CCCC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1.Cn1c(=O)c2c(ncn2CC(=O)CCCc2ccc(C#N)cc2)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)Cl)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.Cn1c(=O)c2c(ncn2CC(=O)O)n(C)c1=O.N#C[C+]1C... | unichem_smiles | 452 |
NC1(Cc2nc3ccccc3s2)CCCCCC1 | unichem_smiles | 17 |
CCCCCCCC/C=C\CCCCCCCCCCOCC(CO)OC(=O)CCCCCCCCCCCCCCCCC | unichem_smiles | 25 |
N=C(N)NCCC[C@@H](C=O)N=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1NCC[C@H]2CCCC[C@H]21 | unichem_smiles | 69 |
O=C1CCCCCN1CCCN=c1nc2[nH][nH]cc-2c(O)n1 | unichem_smiles | 30 |
CN(CCOCc1ccccc1)C(=O)C1CC1c1cc(F)c(F)c(F)c1 | unichem_smiles | 35 |
CCCc1ccc(C(=O)Nc2cc(CC)ccc2C)cc1 | unichem_smiles | 23 |
CC(C)c1nnsc1CN1CCOc2ccccc2C1 | unichem_smiles | 20 |
CC1=C(C(F)(F)F)N=CC=C(CC(C)(C)C)CC1 | unichem_smiles | 29 |
Cc1nn(Cc2cccc(C(O)=Nc3cc(=O)n(C)c(=O)n3C)c2)c(C)c1Br | unichem_smiles | 45 |
COC(=O)c1ccc(NC(=O)CCn2ncc3cc(OC)ccc32)cc1 | unichem_smiles | 30 |
CCCNC(C)c1ccc(OC2CCOC2)c(Cl)c1 | unichem_smiles | 21 |
N=C(N)NCC(O)=Nc1cccc(S[C@@H](CC(=O)O)c2cccnc2)c1 | unichem_smiles | 37 |
O=C(O)CCCCCCCCCCCCCCCCC(O)=N[C@@H](CCC(O)=NCCOCCOCC(=O)I)C(=O)O | unichem_smiles | 42 |
CNN=C(N)c1ccc(Cl)cc1 | unichem_smiles | 14 |
CC1=C(C(O)=NCCn2c(O)nc3ncccc3c2=O)S[C@@H](C)N1 | unichem_smiles | 37 |
O=C(O)c1cc(C(=O)O)c(COCOCCOCOCO)cc1COCOCCOCOCO | unichem_smiles | 36 |
CN(C)c1ccc(/C=N/N=C(O)C(O)C(O)C(O)C(O)CO)c(Cl)c1 | unichem_smiles | 42 |
N#CC1(Sc2ccccc2F)CC2(CCCC2)C1 | unichem_smiles | 20 |
COC(=O)CSc1nnc(Cc2ccc(C)cc2)o1 | unichem_smiles | 24 |
[CH2-]CCC[N-]c1ccc(C)cc1.[Ni+2].c1ccc(-c2ccccn2)nc1 | unichem_smiles | 35 |
O=C(OCCCO)OP(=O)(Oc1ccccc1)Oc1ccccc1.O=C1OCCCO1.PP.[P-3] | unichem_smiles | 42 |
N=C(O)[C@H](Cc1cc(Cl)ccc1Br)N=C(O)Cc1cccc([N+](=O)[O-])c1 | unichem_smiles | 43 |
COc1ccc(CCN(C)C(=O)CCNc2ccccc2[N+](=O)[O-])cc1OC | unichem_smiles | 35 |
CC1Oc2ccccc2-c2c(C3CCCCC3)c3ccccc3n2CC1(F)CCC=O | unichem_smiles | 34 |
Cc1ccc(-c2cccc3nc(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)[nH]c23)s1 | unichem_smiles | 52 |
Cc1cc(N2CCCC[C@H]2c2ccco2)n2ncnc2n1 | unichem_smiles | 27 |
CCOCCCC(O)=N[C@H](Cc1ccc(O)cc1)C(=O)O | unichem_smiles | 28 |
CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCCCCCCCC | unichem_smiles | 68 |
C.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Cc1cnn(-c2ccc(F)cc2)c1C.Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)O.Cc1c(N)cnn1-c1ccc(F)cc1 | unichem_smiles | 90 |
OC(CCC1CCCN(Cc2c[nH]nc2-c2ccc(F)cc2)C1)=Nc1ccccc1F | unichem_smiles | 37 |
CN(CCC1=N[C@@H]([C@H]2C=c3ccccc3=[NH+]2)ON1)C(=O)c1ccsc1 | unichem_smiles | 43 |
C[C@H](C(=O)N1CCS[C@H]2CCCC[C@H]21)S(C)(=O)=O | unichem_smiles | 37 |
CCS(=O)(=O)C1CCC(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)C1 | unichem_smiles | 45 |
Cc1cccc2c(CC(O)=NC3Cc4ccccc4C3O)c[nH]c12 | unichem_smiles | 30 |
C[C@H](Cc1cccc(F)c1)C(O)=N[C@@H]1C[C@@H]1c1cccc(F)c1 | unichem_smiles | 42 |
C=Cn1cc(CNc2ccnc(Br)c2)nc1C | unichem_smiles | 21 |
Cc1ccc(Cl)c(O[C@H](C)C(O)=NCCc2nc(C(C)C)no2)c1 | unichem_smiles | 38 |
CC/C=C\c1cccc(-c2ccc3c(n2)c2nc(-c4cccc5cccnc45)ccc2c2nc4c5ccc(-c6cccc7cccnc67)nc5c5nc(-c6cccc7cccnc67)ccc5c4nc32)c1N | unichem_smiles | 73 |
CC(C)[C@](C)(C#N)N=C(O)COC(=O)c1ccc(C2CCCCC2)cc1 | unichem_smiles | 37 |
Cc1nc(C)c(C(O)=N[C@H]2CCOc3c(Cl)cccc32)s1 | unichem_smiles | 33 |
CC1=CC(=O)C(C(C)C)=C/C1=N/OC(=O)c1ccccc1Br | unichem_smiles | 34 |
C[C@H](O)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](CNCC(=O)O)OCc1ccccc1 | unichem_smiles | 48 |
OC(=NCCc1cn2ccccc2n1)N(Cc1ccccc1)C[C@@H]1CCCO1 | unichem_smiles | 34 |
CC(=O)OC[C@@H]1O[C@H](OCCOCCOCCCl)[C@H](N=C(C)O)[C@H](OC(C)=O)[C@@H]1OC(C)=O | unichem_smiles | 58 |
NCCCN=c1ccc2cccnc2[nH]1 | unichem_smiles | 16 |
CCCc1noc(Cn2cnc3c4ccccc4n(CC(O)=Nc4ccc(C)c(Cl)c4)c3c2=O)n1 | unichem_smiles | 46 |
COC(=O)c1cc(N=C(O)C[C@H]2C(O)=N[C@H]3CCCC[C@H]3N2C(=O)C(C)C)cc(C(=O)OC)c1 | unichem_smiles | 65 |
NS(=O)(=O)C1CC(=O)N(c2ccccc2Cc2ccccc2)C1 | unichem_smiles | 31 |
O=C(CC1CC2CCC(C1)N2)N1CCCC1c1cccnc1 | unichem_smiles | 25 |
CCN1CCC(CN=C(O)C=Cc2ccnc3ccccc23)C1 | unichem_smiles | 25 |
CC(=O)P(=O)(COS(=O)(=O)c1ccc(Cl)cc1)Cc1ccccc1 | unichem_smiles | 34 |
CN(C(=O)c1ccc2c(c1)N=C(O)CCS2)C1CCSC1 | unichem_smiles | 31 |
COCCN=C(O)Cn1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c2ccccc21 | unichem_smiles | 45 |
O=C(NCCCOC1CCCc2ccccc21)c1n[nH]cc1[N+](=O)[O-] | unichem_smiles | 34 |
Cc1c(CO)cccc1S(=O)(=O)NCCc1ccc(Br)s1 | unichem_smiles | 27 |
Fc1ccc(CNC2CC3(CCCC3)Oc3ccccc32)cn1 | unichem_smiles | 22 |
COP1(=O)Oc2c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc3ccccc3c2-c2c(c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc3ccccc23)O1 | unichem_smiles | 85 |
CC[C@H](N=C(O)c1cc(C2CC2)on1)c1ccccc1OCC(=O)N1CCCC1 | unichem_smiles | 39 |
CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc3c2O[P+]2(Oc4ccccc4-c4ccccc4O2)C3(C)C)c2c(c1)C(C)(C)[P+]1(Oc3ccccc3-c3ccccc3O1)O2 | unichem_smiles | 90 |
CC(C(=O)O)c1c(F)c(F)cc(F)c1F | unichem_smiles | 26 |
CN=c1ccc(Oc2nc(OC)cc(OC)n2)c(C(=O)O)[nH]1 | unichem_smiles | 33 |
CCC(=O)[C@@H](C)Sc1nnc(COc2cccc(C)c2)o1 | unichem_smiles | 28 |
Cc1nc(-c2ccco2)ccc1C(O)=NCCc1c(C)noc1C | unichem_smiles | 29 |
CCC(C)CNCc1csc(C(C)C)n1 | unichem_smiles | 19 |
CC(C)NC1C=CC1 | unichem_smiles | 10 |
CC(C)(C)OC(=O)C1NCCOc2ccccc21 | unichem_smiles | 21 |
NCC(F)Cc1ccncc1Cl | unichem_smiles | 13 |
C=CCOc1ccc(C(F)(F)F)cc1C(O)=Nc1ccc(=N)[nH]c1 | unichem_smiles | 35 |
OC(=NCC1CCCN1Cc1ccccc1)c1c(Cl)nc2ccccn12 | unichem_smiles | 27 |
O=c1nc(OCC=C2CCCC2)c(Cl)cn1C1O[C@](F)(CO)[C@@H](O)[C@H]1O | unichem_smiles | 43 |
CC1CC(C(F)(F)F)=CC=C1C1=CC=C(C2=C(c3ccc(F)cc3)C(=N)C(c3ccc(F)cc3)=C2c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1 | unichem_smiles | 79 |
CCC(c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C | unichem_smiles | 28 |
CCCCCCCC/C=C\CCCCCCCC(=O)C(N)(CN)CCCCCCCCCCCCCCCCCC | unichem_smiles | 24 |
C[Si](C)(C)c1cccc(CN=C2CS(O)(O)C[C@@H](Cc3cc(F)c(N)c(OC(C(F)(F)F)C(F)(F)F)c3)C2=O)c1 | unichem_smiles | 69 |
OC(=NCc1ccc(-n2cnc3ccccc32)nc1)C1CCOCC1 | unichem_smiles | 26 |
CCCNC(Cc1ccc(OC)cc1)c1ccc(Br)cc1 | unichem_smiles | 21 |
COc1ccccc1N=C(O)CSc1nnc(COc2ccc(C)c(C)c2)o1 | unichem_smiles | 34 |
CCN1CCN(C(C)CN=C(O)C=Cc2cn(C)c3ccccc23)CC1 | unichem_smiles | 33 |
Cc1cc2nc(N3CCC(C(O)=NC4CCCC4)CC3)n(Cc3ccc(C(=NN)NN)cc3)c2cc1C | unichem_smiles | 45 |
C[C@H](OCc1ccccc1)C(O)=NCC1(c2ccc(Cl)cc2)CCOCC1 | unichem_smiles | 34 |
CCNC1CCCN(C(=O)CC2CCC2)C1 | unichem_smiles | 18 |
OC(Cc1ccc(F)cc1)Cc1ccc(C(F)(F)F)cc1 | unichem_smiles | 27 |
CC(C)OCc1ccc(NC(O)=NCc2cc(C#N)ccc2F)cc1 | unichem_smiles | 28 |
CSc1ncc(Cl)c(C(O)=Nc2ccc(C(=O)N3CCCC3)cc2C)n1 | unichem_smiles | 35 |
C=N/N=C(\OCC(F)(F)F)c1cnc(NC2(c3ccc(Cl)c(F)c3)CC2)nc1 | unichem_smiles | 43 |
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