text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
O=Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1C(=O)O | unichem_smiles | 33 |
CCSC1CCCC1Nc1ccc(C#N)c(N)c1 | unichem_smiles | 20 |
C=CC(O)=NCCN(CCNC(O)C=C)C(=O)CCC(O)=NCCOCCOCCN1C(=O)C[C@H](SC(C)(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CC(=O)N(C)c3cc(cc(OC)c3Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]3(O)C[C@H](OC(O)N3)[C@@H](C)[C@@H]3O[C@@]23C)C1=O | unichem_smiles | 162 |
C=Cc1c(C=C)c2c3ccccc3c3ccccc3c2c2ccccc12 | unichem_smiles | 30 |
NC(C(=O)O)c1nccc(-c2cc(Br)ccc2F)n1 | unichem_smiles | 26 |
CCO[C@H]1CN(C)C[C@@H]1N=C(O)CSc1cccc(OC)c1 | unichem_smiles | 34 |
Cc1cc2c(cc1C(C)(C)CNCS)OCCO2 | unichem_smiles | 22 |
CC(O)=NC1C(=O)N2C(C(=O)O)=C(C)C(Cc3ccc([N+](=O)[O-])cc3)S[C@H]12 | unichem_smiles | 52 |
C[C@H](NC(=O)C(=O)N(C)c1ccccc1)c1ccc2c(c1)OCCCO2 | unichem_smiles | 39 |
CC(C)C(NC1CCN(C)C(=O)C1)C(C)C | unichem_smiles | 26 |
CC(=O)O[C@H](CN=C(O)OCc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](SC(C)=O)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1 | unichem_smiles | 76 |
COc1ccc(NC(O)=NCCOc2cc(N3CCCCCC3)ncn2)c(OC)c1 | unichem_smiles | 32 |
O[C@@H](CNCc1cscn1)COc1ccc2c(c1)OCO2 | unichem_smiles | 28 |
COc1cc(CN=C(O)/C=C/c2ccccn2)cc(OC)c1OC | unichem_smiles | 28 |
CCn1c(SCC(O)=Nc2cc(Cl)cc(Cl)c2)nnc1[C@H](C)N=C(O)c1ccccc1C | unichem_smiles | 46 |
CCS(=O)(=O)c1ccc([C@H](CO)C(C)N=C(O)c2cnc(N3CC(c4ccc(C(F)(F)F)cc4)C[C@H]3COCC3CC3)nc2)cc1 | unichem_smiles | 71 |
CN(CCOc1ccc(Cl)cc1)CN1C(=O)C2CCC1C2 | unichem_smiles | 26 |
CCCCn1nccc1NC(=O)CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O | unichem_smiles | 39 |
COC(=O)c1sccc1COc1ccc2c(C)cc(=O)oc2c1 | unichem_smiles | 29 |
Cl.NCC(N=C(O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C1CC1 | unichem_smiles | 39 |
CCc1ccc(CC2(CBr)CC2)s1 | unichem_smiles | 16 |
CSN=C(O)c1cc(Cl)c(OC2CN(c3ccc(OCC(F)(F)F)c(Cl)c3)C2)cc1F | unichem_smiles | 45 |
CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(O)=Nc1cccc(N=C(C)O)c1 | unichem_smiles | 49 |
C=CCOc1ccc(CN(C)CC(O)=[NH+][C@H]2CCCc3ccccc32)cc1 | unichem_smiles | 34 |
Cc1c(Br)cccc1NS(=O)(=O)CBr | unichem_smiles | 19 |
CCOc1ccc(C(O)=Nc2ccc(-c3cc4cc(F)ccc4[nH]3)cc2)cc1 | unichem_smiles | 36 |
COC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)C(C)C2)cc1 | unichem_smiles | 39 |
CN=C(O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1 | unichem_smiles | 27 |
CCOc1ccc(N2C(=O)C(C=C3C(Br)=CNN3C)=NC2=S)cc1 | unichem_smiles | 34 |
C=CC[NH2+]Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 | unichem_smiles | 26 |
CCCCC1CC(=O)C2CCCCC23CCC(CSC#N)N13 | unichem_smiles | 22 |
CC(C)[C@H](NC(=O)C(=O)Cc1ccccc1)C(=O)N1C[C@H](OC(=O)N2CCc3ccccc3C2)C[C@H]1C=O | unichem_smiles | 64 |
COC(=O)CN=C(O)C(c1ccccc1)N(C(=O)C(N=C(O)OC(C)(C)C)C(C)C)C1CC1 | unichem_smiles | 53 |
FC(=C1CC1)C(F)(F)F | unichem_smiles | 15 |
CCC(Br)C(C)C(C)(C)C | unichem_smiles | 15 |
Cc1cccc(NC(O)=NCCOc2ccccc2C(C)C)c1C | unichem_smiles | 26 |
N=C(O)c1cccc(/N=C/c2cccc([N+](=O)[O-])c2)c1 | unichem_smiles | 32 |
Brc1c(CSCc2ccccc2)nc2ncccn12 | unichem_smiles | 19 |
CCC(C)(C)C1(c2ccc(C(N)=O)cc2)OCCO1 | unichem_smiles | 26 |
Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3O4)cc12 | unichem_smiles | 49 |
Cn1cc(-c2cccc(N3Cc4cc(C(C)(C)C)sc4C3=O)c2CO)[nH]c(=Nc2ccc(C3CCNCC3)cc2)c1=O | unichem_smiles | 60 |
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C3\C[C@H](c4ccc(N(C)C)cc4)NN3)C2=O)c1 | unichem_smiles | 57 |
CN(C)C(=O)c1ccc(OCCc2ccccc2)cc1 | unichem_smiles | 23 |
CCN=C(NCCS(=O)(=O)C(C)(C)C)N(C)CC1CCC(C)CC1.I | unichem_smiles | 37 |
COc1ccccc1C1C(c2cccc(OC)c2OC)=C(O)C(=O)N1c1ccc(C)cc1 | unichem_smiles | 39 |
COc1cccc(OC)c1C(O)=N[C@H]1CC[C@@H](N=c2nc(N(C)C)c3ccccc3[nH]2)CC1 | unichem_smiles | 51 |
Cc1cc(C=O)ccc1C(C)C=O | unichem_smiles | 18 |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cc5c(cc4Cl)OCO5)cc23)c1F | unichem_smiles | 55 |
CNc1nccnc1C[C@H]1CCCN(Cc2ccc(F)cn2)C1 | unichem_smiles | 29 |
C/N=C(C(=C\c1cc(OC)c(OC)cc1C)/c1cccc(-c2ccccc2)c1C)\N(C)C | unichem_smiles | 44 |
O=C(C[N+]12CCN(CC1)CC2)N1N=C(c2ccco2)C[C@H]1c1cccs1 | unichem_smiles | 43 |
Cc1c(CN=C(O)c2cc(Cl)ncc2N)cnn1C | unichem_smiles | 26 |
Cc1cc(Oc2cc(Oc3cc([O][GeH2][c]4ccccc4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1 | unichem_smiles | 66 |
CN(C)CCCNC(=O)c1cc(N=C(O)CN=C(O)c2cc(C(O)=NCC(O)=Nc3cc(C(=O)NCCCN(C)C)n(C)c3)cc(N3C(=O)c4cccc5c([N+](=O)[O-])ccc(c45)C3=O)c2)cn1C | unichem_smiles | 104 |
Cc1nc(COc2ccc(CN(C)C[C@H]3CCn4ccnc4C3)cc2)no1 | unichem_smiles | 35 |
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 | unichem_smiles | 72 |
Cc1ccc(N=C(O)CN2CCN(CCc3cccs3)CC2)c(Cl)c1 | unichem_smiles | 32 |
Cc1ccc(C(O)=NC(=S)N(C)c2ccccc2C(O)=NC2CCCCC2)cc1 | unichem_smiles | 35 |
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 | unichem_smiles | 42 |
C/C=C/[C@@H]1Oc2ccccc2[C@@]1(C)O | unichem_smiles | 26 |
Fc1cccc2c1CCCC2.N=C(O)N=O | unichem_smiles | 18 |
Cn1cccc1/C=N\OCc1ccccc1C#N | unichem_smiles | 19 |
Nc1c(F)cccc1C(=O)C1CCCNC1 | unichem_smiles | 19 |
CC(=O)c1ccccc1N=C(O)CNc1ccc(SC(F)F)cc1 | unichem_smiles | 29 |
CCc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cccc(Cl)c3)nc12 | unichem_smiles | 33 |
N#Cc1cnc(N=C(O)c2cnn(-c3ccccc3)n2)s1 | unichem_smiles | 30 |
CCN(CN1C(=O)C2(CCC(C(C)(C)CC)CC2)[NH+]=C1O)[C@@H]1CCS(=O)(=O)C1 | unichem_smiles | 49 |
C=CCCCN(C)C(=O)c1ccc(CC)cc1 | unichem_smiles | 20 |
C=CCc1c(O)ccc2c1OC(c1ccc(Cl)cc1)CC2=O | unichem_smiles | 28 |
Cl.O=C(CN1CCN(Cc2cccc3c2NCC3)CC1)N1CCc2ccccc21 | unichem_smiles | 33 |
CN(C)S(=O)(=O)c1ccc(Cl)c(C(O)=Nc2ccc3oc4ccccc4c3c2)c1 | unichem_smiles | 41 |
CCON=C1CC(C)(C)N(C)C(C)(C)C1 | unichem_smiles | 23 |
O=C(Cn1ccnc1-c1cnccn1)C1CC1 | unichem_smiles | 22 |
CC(C)[C@H](N[C@@H]1CCOC1)c1ccc(Cl)cc1 | unichem_smiles | 27 |
COc1ccc(/C(=N\O)c2cc3ccccc3o2)cc1 | unichem_smiles | 24 |
CCOc1cc(CC2CCNCC2)ccc1N=C(O)C(C)C | unichem_smiles | 26 |
CCCn1cccc1CNc1ccc(C#N)c(Cl)c1 | unichem_smiles | 20 |
O=C(Cn1ccc(=O)c2ccccc21)C1CCOC1 | unichem_smiles | 23 |
O=C1C2CC=CCC2C(=O)N1CC(O)=NN=C(O)C1COc2ccccc2O1 | unichem_smiles | 37 |
Nc1ccc2c(c1-c1c(N)ccc3c1CCCC3)CCCC2 | unichem_smiles | 25 |
CC(C)N(CCO)CCCOCC(F)(F)F | unichem_smiles | 18 |
O=C1C(Cl)=C(Cl)C(=O)c2[nH]c(-c3cccnc3)nc21 | unichem_smiles | 33 |
CC=C[C@]1(C)C[C@@H](OC(=O)N=C(O)C2CCNCC2)[C@]2(C)C(C)CCC3(CCC(=O)C32)[C@@H](C)[C@@H]1O | unichem_smiles | 69 |
CCCN(CCSc1ccccc1F)CC(O)=Nc1ccccc1C | unichem_smiles | 22 |
O=C(CCl)N1CCc2c(Cl)ccc(F)c2C1 | unichem_smiles | 24 |
CCC(=O)N1CCO[C@H](C(=O)O)C1 | unichem_smiles | 23 |
CS(=O)(=O)CCN1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1 | unichem_smiles | 33 |
C#CCCC.CC1(C)C2CC=C(CCCC(=O)C3CCC3)C1C2 | unichem_smiles | 29 |
CCCOc1c(Cl)cc(/C=N\NC(=O)C(=O)N[C@H](C)CC)cc1OCC | unichem_smiles | 38 |
COc1cc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)cc(OC)c1OC(F)F | unichem_smiles | 40 |
[C-]#[N+]CCOP(O[C@@H]1C2OC[C@]1(CN(C)C)O[C@H]2n1ccc(O)nc1=O)N(C(C)C)C(C)C | unichem_smiles | 65 |
C1=Cc2ccc3c(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c5c4)ccc4c3c2C(=CC4)C1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccc(-c... | unichem_smiles | 256 |
Cc1cccc(N(N)C(O)=NN)c1CO | unichem_smiles | 18 |
CCS(=O)(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 | unichem_smiles | 31 |
Cc1ccccc1-n1c(SCC(O)=NC(C)(C)C)nnc1-c1ccccn1 | unichem_smiles | 33 |
C=CCN=C(O)C1(C(=O)O)CCC1 | unichem_smiles | 21 |
C=C(C)C(=O)Oc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 | unichem_smiles | 35 |
COc1ccccc1C(O)=NC(=Cc1ccc(Br)cc1)C(=O)NCCO | unichem_smiles | 31 |
COc1ccc(Cc2cnc3c(-c4ccc(Sc5ccccc5)cc4)c[nH]n3c2=O)cc1 | unichem_smiles | 40 |
CN1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2CC(=O)c1ccccc1 | unichem_smiles | 39 |
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