Codemaster67/Unichem_10M_tokens
Updated • 64
text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CCC1=C/C(=C2\N=C(c3nn(CCN)c4c3CCC(C)(C)C4)ON2)C(C)=NC1=O | unichem_smiles | 46 |
CCCS(=O)(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1 | unichem_smiles | 31 |
O=C([O-])[C@H](c1c[nH]c2ccccc12)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 | unichem_smiles | 48 |
CCN(CC)[C@@H](CN=C(O)CCCOc1ccc(C(C)=O)cc1OC)c1ccccc1Cl | unichem_smiles | 37 |
CCOc1ccc(NC(=S)N2CCN(Cc3cc(C)ccc3OC)CC2)cc1 | unichem_smiles | 32 |
OC(CN1CCC[C@@H]1c1cccc2ccccc12)=NC1CCCCC1 | unichem_smiles | 24 |
CC(C)c1nc(C(=O)NCCc2ncc[nH]2)nn1-c1ccccc1Cl | unichem_smiles | 34 |
CSOCCCOc1ccn2c(-c3cc(=NCc4ccc(-c5cnn(C)c5)cc4)[nH]cn3)cnc2c1 | unichem_smiles | 45 |
CCOC(=N)CC(=O)CN=[N+]=[N-] | unichem_smiles | 20 |
CCCn1c(CO)nn(CN2Cc3ccccc3CC2c2ccccc2)c1=S | unichem_smiles | 29 |
Cc1ccc(C2(O)C(=O)c3ccccc3C2=O)c(C)c1C | unichem_smiles | 32 |
CC(C)OCCCN=C(O)CCCC(C)(C)C | unichem_smiles | 19 |
Cc1ccc2c(c1)nc1sc3cc(-c4cccc5oc6ccc(-c7cccc8oc9ccccc9c78)cc6c45)ccc3c(=O)n12 | unichem_smiles | 50 |
CC1COC(C)C(OC(=O)c2ccccc2)C1C | unichem_smiles | 23 |
O=C(CCOCC1CCCO1)N1CCCC(c2nccs2)C1 | unichem_smiles | 25 |
COc1ccc(-c2csc(CCC(O)=Nc3ccc(F)c(F)c3)n2)cc1 | unichem_smiles | 33 |
CC(C=O)N=C(O)C(CCC(=O)OC(C)C(O)=NC(C)C=O)N=C(O)C(C)S | unichem_smiles | 46 |
Nc1c(C(=O)O)ncc(C(F)F)c1CBr | unichem_smiles | 25 |
CC(C)(C)NCc1ccnc(NCCc2ccco2)c1F | unichem_smiles | 23 |
CCc1cc(C(O)COC)cc2c1OCCC2N=C(C)O | unichem_smiles | 26 |
COC1CCC2C(C1)C1OC=C(C)C(C)=C1C1CC3CCCCC3C12 | unichem_smiles | 33 |
CC(C)(N)C(O)=N[C@H](Cc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1.Cl | unichem_smiles | 52 |
CCc1ccc[n+](C2=C(c3c(C)[nH]n(-c4ccc(Cl)c(Cl)c4)c3=O)C(=O)N(CC(C)C)C2=O)c1 | unichem_smiles | 62 |
CCOC(=O)CS(=O)(=O)NCc1ccc(C#CCO)s1 | unichem_smiles | 26 |
CC(C)CN(CCC#N)C(=O)CCCCCl | unichem_smiles | 17 |
CCOC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)s1 | unichem_smiles | 27 |
CN(C(O)=N[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21)C1CCC1 | unichem_smiles | 45 |
CCOc1cccc([C@H]2CC(O)=NC3=C2C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)C3)c1 | unichem_smiles | 49 |
CC(C)(CCC(=O)O)NC(O)=Nc1cc(Cl)ccc1OCC1CCCO1 | unichem_smiles | 30 |
Cc1ccc(CC(NCC(C)c2c(C)noc2C)C2CC2)cc1 | unichem_smiles | 30 |
C[C@H](CN=C(O)CN=C(O)[C@@H]1c2ccccc2C(=O)N1C1CC1)Cn1cccn1 | unichem_smiles | 46 |
CNc1cc(F)cc2c1[nH]c1ncc(-c3ccc4ccc(C(=O)O)c(=O)n4c3)c(N3CCO[C@@H](CN(C)C)C3)c12 | unichem_smiles | 65 |
CCOP(=O)(CS(=O)(=O)c1ccc(F)cc1)OCC | unichem_smiles | 25 |
CCc1nc(N=C(O)N2CCC(C(O)c3nccn3C)CC2)sc1C | unichem_smiles | 33 |
CCCCCCCCCCCCCCCCCCCCCCC(=O)ON=[N+]=[N-] | unichem_smiles | 19 |
CCCC(C(=O)[O-])N1C(=O)C(=Cc2ccc(-c3ccc(F)cc3)o2)SC1=S | unichem_smiles | 41 |
Cc1cccc(C(O)=NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 | unichem_smiles | 35 |
CCC(C)Nc1cccc(I)c1C | unichem_smiles | 14 |
CC1CCCCC1N(C)CCC(O)C(C)(C)C | unichem_smiles | 20 |
CC(N)CS(=O)(=O)C(C)C(O)=NC1CCCCC1 | unichem_smiles | 25 |
OC(Cc1ccccc1Cl)=Nc1nnc(Cl)cc1Br | unichem_smiles | 21 |
COc1ccccc1C(O)=NC(C(O)=NCCCSc1ccccc1)C(C)C | unichem_smiles | 29 |
COCC(C)N(C)CCCC(O)=Nc1cc(N)ccc1C | unichem_smiles | 23 |
CC(O)=NC(Cn1ccc(C(=O)N(C)C)n1)C(=O)O | unichem_smiles | 31 |
O=C(O)c1cc(Cl)ccc1N=C(O)c1cc(F)ccc1O | unichem_smiles | 29 |
NC1(C(=O)N(C2CCCCC2)C2CCCCC2)CCOC1 | unichem_smiles | 25 |
CC1=C(C)C(=O)C(C)(CCCOS(C)(=O)=O)CC1 | unichem_smiles | 28 |
CC1(C)O[C@@H]2O[C@H](C(O)=NCC(O)=Nc3cccc([N+](=O)[O-])c3)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 | unichem_smiles | 70 |
CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1ccc(F)c(F)c1 | unichem_smiles | 43 |
COc1c2cc(-c3c(C)cncc3C)cc1COCCCCCCCCOC2 | unichem_smiles | 25 |
Cc1cc(C)n2nc(Sc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])nc2n1 | unichem_smiles | 48 |
Cc1ccc(C)c(NC2=NC(CC(C)C)CS2)c1 | unichem_smiles | 25 |
COc1nc(N=C(O)c2c(O)nnc(C)c2C)n[nH]1 | unichem_smiles | 32 |
N#Cc1ccc(CN2CCC(NCC(c3ccco3)N3CCCC3)CC2)cc1 | unichem_smiles | 30 |
CCC1(N(C)C)CN(c2nc(Cl)nc(-c3ccc4c(c3C(=O)[C@@H](CNC(=O)O)CC3CCCC3)Cc3ccccc3-4)c2F)C1 | unichem_smiles | 64 |
N=c1nc(Cl)[nH]c(=Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)O)c(N=Nc4cc(S(=O)(=O)O)c5cccc(S(=O)(=O)[O-])c5c4[O-])c([O-])c23)[nH]1.[Cu].[Na+].[Na+].[Na+].[Na+] | unichem_smiles | 113 |
CN(C1=CCCCC1)C(O)=Nc1ccccc1F | unichem_smiles | 20 |
Cc1ccc(-n2c(C)cc(C=NN=C(O)CSc3ccc(Cl)cc3)c2C)cc1 | unichem_smiles | 37 |
c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc6c(c5)-c5ccccc5C6c5ccccn5)ccc43)cc2)cc1 | unichem_smiles | 65 |
CCc1cc(C(N)Cc2c(Br)c(C)nn2C)n(CC)n1 | unichem_smiles | 30 |
Cc1cccc(C2CC2C(O)=Nc2cc3c4c(c2)C(O)=NNC=C4C=N3)c1 | unichem_smiles | 41 |
O=[N+]([O-])c1ccc(/C=C/C(O)=NN=C(O)[C@H]2COc3ccccc3O2)cc1 | unichem_smiles | 43 |
CN(CC[NH+]=C(O)[C@@H]1CC(O)=Nc2ccccc21)Cc1ccccc1 | unichem_smiles | 33 |
CCN=C(NCc1ccc(N2CCCC2=O)cc1)N1CCN(c2cnn(C)c2)C(=O)C1.I | unichem_smiles | 44 |
C[C@@H]1[C@H](O)[C@H](O)[C@H](C)O[C@@H]1c1ccncc1NC(=O)c1ccc(F)c(-c2c(F)cccc2F)n1 | unichem_smiles | 64 |
CCOC(=O)C1=C(N)N(c2cccc(C(F)F)c2)C(C)=C(C(=O)OCCOC)C1c1ccc(C#N)cc1 | unichem_smiles | 55 |
O=[N+]([O-])c1ccccc1N1CC(O)=N[C@H]2CCCC[C@H]21 | unichem_smiles | 34 |
Cc1oc(CN=C(O)C2(c3ccccc3Cl)CCOCC2)cc1C(=O)O | unichem_smiles | 34 |
CC(NCC(C)(O)CO)c1ccc(O)cc1F | unichem_smiles | 20 |
COc1cccc(C(c2ccc(OCCN3CCCC3)cc2)c2cc3ccccc3c3ccccc23)c1 | unichem_smiles | 36 |
Cc1cc2ccccc2n1CC(=O)OCC(O)=NCCc1cccs1 | unichem_smiles | 27 |
CC(C)c1cccc(C(=O)CN)c1O | unichem_smiles | 18 |
CCCCCCCCOC(=O)CCCCCCCCOC(=O)CCCCCCC | unichem_smiles | 16 |
O=C(O)c1cc(C2CC2)cc2c1OCC2c1c(Cl)cccc1Cl | unichem_smiles | 31 |
COc1ccccc1-n1c(S[C@H](C)C(C)=O)nc2sc3c(c2c1=O)CCCC3 | unichem_smiles | 40 |
CC(=O)N(C)Cc1cccc(NC(O)=NCc2ccc3c(c2)OCCCO3)c1 | unichem_smiles | 35 |
O=Cc1cc(Oc2c(Br)cc(CC(=O)O)cc2Br)ccc1O | unichem_smiles | 30 |
Cc1ccc(Cc2cccc([C@H]3CCCN3CC(O)=Nc3nccs3)n2)cc1 | unichem_smiles | 35 |
NP(N)(=O)N=C(O)C=Cc1ccc(F)cc1 | unichem_smiles | 24 |
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[C@@H](C)CC2)cc1 | unichem_smiles | 47 |
Cc1cc(=O)c(C(=O)N=c2[nH][nH]c(C)c2N)c[nH]1 | unichem_smiles | 40 |
CC(NCc1ccn(C)n1)c1cnn(-c2ccccc2)c1 | unichem_smiles | 26 |
Cc1ccc(F)c(C(O)Cc2nc(C)cs2)c1 | unichem_smiles | 25 |
O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](COc4cccc(F)c4)[C@H](O)C[C@@H]3O2)n1 | unichem_smiles | 56 |
CCN1CCN(c2c(Cl)cccc2N=C(O)c2cc3ccccc3c(Br)c2OC)CC1 | unichem_smiles | 37 |
COCC1(C(O)=NC2CC(=O)N(C(C)(C)C)C2)CC1 | unichem_smiles | 30 |
COCC(NCC1(c2ccc(F)cc2)CCOCC1)C(C)C | unichem_smiles | 26 |
C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Cc1c(C)noc1C | unichem_smiles | 34 |
CCOc1ccccc1CN(CC(C)O)C(=O)C(CCSC)NC(=N)O | unichem_smiles | 31 |
CN=C(NCCN=C(O)C1CCCCC1)NC1CC(=O)N(c2ccccc2)C1.I | unichem_smiles | 37 |
CC(C)c1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)nc(=[NH2+])[nH]1 | unichem_smiles | 48 |
Cc1nc2ccccc2n1CCOC(=O)CC[NH+]=C(O)OCC(F)(F)F | unichem_smiles | 33 |
COC(=O)C(O)C1CCC(C)O1 | unichem_smiles | 18 |
COCCCC1CN(C2=c3cc(C(F)(F)F)ccc3=Nc3ccc(F)cc3N2)CCN1 | unichem_smiles | 38 |
Cn1c(C2CC2)nc2cc(NC(=O)C(=O)N3CCC4(CCC4)C3)ccc21 | unichem_smiles | 37 |
CCCC(OCC)C(N)c1ccc(C(F)(F)F)cc1 | unichem_smiles | 23 |
C[C@@H]1CN(C(O)=NCC2(C)CCCC2)CCS1 | unichem_smiles | 25 |
CN(Cc1ccncc1)Cc1ccc(C#CCO)cc1F | unichem_smiles | 23 |
CN(C)Cc1c(C(O)=[NH+]CCCCN2CCCC2)nc2ccccn12 | unichem_smiles | 28 |
O=C(O)CCCCN1CCc2c(Br)ccc(F)c2C1 | unichem_smiles | 24 |
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