text stringlengths 3 2.21k | source stringclasses 1
value | num_tokens int64 1 939 |
|---|---|---|
CC(C)C(C(=O)O)N1Cc2cc(Br)ccc2C1=O | unichem_smiles | 28 |
COc1cccc(CN2CCCC(N3CCN(c4ccccc4F)CC3)C2)c1O | unichem_smiles | 30 |
CN1CCN(c2ccc(C(=O)OC(C)(C)C)c(N[C@H]3CC[C@H](C(F)(F)F)CC3)c2)CC1 | unichem_smiles | 53 |
COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1ccccc1F | unichem_smiles | 44 |
COC1CCC(/C=C/C2CC(CC(C)C3CCC(OC)CC3)C(OC)CC2OC)CC1 | unichem_smiles | 36 |
CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)OCC(O)=Nc1cc(Cl)ccc1C | unichem_smiles | 41 |
CCCCN(CCCN1CCN(c2ccccc2)CC1)C(C)=O.Cl | unichem_smiles | 25 |
C=CCCS(=O)(=O)Nc1ccn(CC(F)(F)F)n1 | unichem_smiles | 27 |
COCCC1(CN=C(O)N2CCN(C(C)C(F)(F)F)CC2)CCCC1 | unichem_smiles | 32 |
Cc1ccc(C(=O)NN=C(O)C2CC(=O)N(C3CCCC3)C2)cc1 | unichem_smiles | 35 |
CC(C)(C)Oc1cc(Oc2ccccc2)c[nH]1 | unichem_smiles | 24 |
CCC[C@](C)(N)C(O)=N[C@@H](C)[C@@H](O)Cc1ccccc1 | unichem_smiles | 33 |
CCCn1c(=O)n(CCC(=O)Nc2cc(C)nn2C2CCS(=O)(=O)C2)c2ccccc21 | unichem_smiles | 43 |
CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)c1 | unichem_smiles | 32 |
COC(=O)c1ccc(C2C(C(=O)/C=C/c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 | unichem_smiles | 49 |
Cc1cccc2c1C(P(c1ccccc1)c1ccccc1)CC2 | unichem_smiles | 25 |
CC1(C)CCCN1C1CCC1C(=O)O | unichem_smiles | 18 |
Cn1c(CS(=O)(=O)CCCOc2ccc(F)cc2)nnc1C1CCC1 | unichem_smiles | 31 |
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(O)=Nc4cnn(C)c4C(=O)Nc4cnn(C)c4C)cc3n2)cc1C | unichem_smiles | 60 |
CN(C(=O)c1ccc(Oc2ccccc2)o1)c1cccc2ncccc12 | unichem_smiles | 28 |
CC[C@@H]([NH+]=C(O)CN1CCN(c2cccc(C)c2C)CC1)c1ccc(C)cc1 | unichem_smiles | 40 |
CCCCCC1CCC(c2cc(OCCC)ccc2-c2nnc(C)s2)CC1 | unichem_smiles | 27 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@H]2[CH][C@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O | unichem_smiles | 104 |
CC1(C)OB(c2ccc(C=O)o2)OC1(C)C | unichem_smiles | 24 |
Cc1ccc(CSc2nncn2N=C(O)CC2=Nn3c(C)nnc3SC2)cc1 | unichem_smiles | 36 |
CCOc1cc(C2=C/C(=C3/C=CC(=O)C=C3O)NN2C)ccc1O | unichem_smiles | 37 |
Cc1c(CN2CCCC(c3n[nH]cc3CC(C)C)C2)cnn1C | unichem_smiles | 31 |
COc1ccc([C@@H](C[NH+]=C(O)C2CCC2)N2CCCCC2)cc1 | unichem_smiles | 31 |
Cc1cccc(-c2nnnn2CC(C)C(C)(C)C)c1N | unichem_smiles | 25 |
Cc1nn(Cc2ccsc2C(O)=NN)c(C)c1C | unichem_smiles | 24 |
CN(Cc1ccc(Cl)cc1Cl)C(=O)COC(C)(C)C | unichem_smiles | 26 |
CCOCCN(C)C(O)=NC1CC1 | unichem_smiles | 15 |
OC=N[C@]12C[C@@H]3C[C@H](C1)N(c1cnc(Cl)cn1)[C@@H](C3)C2 | unichem_smiles | 45 |
CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)C(=O)CC)c1C | unichem_smiles | 51 |
COC(=O)C1=C(CN2CCSC[C@H]2CCC(=O)O)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl | unichem_smiles | 53 |
Cc1cccc(C)c1N=C(O)CSc1nnc([C@H](N)C(C)C)o1 | unichem_smiles | 35 |
CCOC1CC(CCN=C(O)NC2CCCCCC2)C1 | unichem_smiles | 20 |
COCCCN1CCC(NC(=NCC(=O)N(C)C)NC2CCOc3ccccc32)CC1 | unichem_smiles | 33 |
CCOC(=O)c1cc(F)c(F)cc1N=C(O)c1nc2nc(C)cc(C)n2n1 | unichem_smiles | 40 |
O=S(=O)(CCN=C(O)[C@@H]1CSc2ccccc2O1)c1ccc(Cl)cc1 | unichem_smiles | 36 |
CCN1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O | unichem_smiles | 27 |
CCC(C)n1c(=O)nc(O)c2nc(CCCN)[nH]c21 | unichem_smiles | 27 |
Bc1ccc2c(c1)N=C(O)/C2=C1\Nc2ccccc2\C1=N/O | unichem_smiles | 35 |
CC(C)CC(O)=NC(C(=O)C[C@H](C(O)=N[C@@H](CC(C)C)[C@@H](O)CC(=O)C[C@@H](C)C(O)=N[C@H](CC(C)C)[C@@H](O)CC(=O)CCCCCCCCCCC(=O)c1ccc(C(=O)O)c(-c2c3cc(F)c(N4CC(F)(F)C4)cc3[o+]c3cc(N4CC(F)(F)C4)c(F)cc23)c1)C(C)C)C(C)C | unichem_smiles | 166 |
COc1ccc(C(=O)NC(CO)c2nnc(SCC(=O)N3CCN(C)CC3)n2C)cc1 | unichem_smiles | 41 |
O=C1C[C@@H](C(O)=NCCN=c2[nH]c3ccccc3s2)CN1Cc1ccccc1 | unichem_smiles | 40 |
Cc1ccc(N2CCCN(C(=O)c3cccc(N=C(O)C4CC4C)c3)CC2)nn1 | unichem_smiles | 39 |
CCC/C=c1\sc2n(c1=O)C(C)=C(C(=O)OCC)[C@@H](c1ccccc1)N=2 | unichem_smiles | 43 |
CC(C)CCN1CC2CCC1CN2 | unichem_smiles | 13 |
C[C@@](N)(Cc1c[nH]c2ccccc12)C(O)=N[C@@H](CCCCCCCCC(=O)O)C(O)=N[C@@H](CC(=O)OC1CCCCC1)C(O)=N[C@@H](Cc1ccccc1)C(=N)O | unichem_smiles | 84 |
CCC(CC)N1CC(C(O)=NC2CCOC(C)(C)C2)CC1=O | unichem_smiles | 28 |
Cn1ccnc1SCc1ccc(C(=O)Nc2ccc3nncn3c2)o1 | unichem_smiles | 30 |
CC(C)(C)c1ccc(OCCCC(O)=NN=Cc2ccccc2Cl)c(Br)c1 | unichem_smiles | 31 |
Cc1cccc(C)c1N=C(O)CN(C)Cc1ncc(-c2cccc(Cl)c2)o1 | unichem_smiles | 36 |
Oc1ncnc2nc(S)nc(-c3c(F)c(F)cc(Cl)c3Cl)c12 | unichem_smiles | 32 |
CCC(Nc1cccc(C)c1)(C(=O)O)C1CC1 | unichem_smiles | 23 |
CNCC[C@H](Oc1ccc(F)c2ccccc12)c1cccs1 | unichem_smiles | 25 |
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)c1ccc(N=C(O)[C@H](CCCNC(=N)O)N=C(O)[C@@H](N=C(O)CCCCCNC(C=O)(CBr)CBr)C(C)C)c3cccnc13)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(N=C(O)O1)[C@H](OC)/C=C/C=C(\C)C2 | unichem_smiles | 170 |
CCc1nccn1-c1nc(C)ncc1Br | unichem_smiles | 18 |
CCOCCOC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1O | unichem_smiles | 62 |
OC(=NCCc1ccc(Cl)cc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 | unichem_smiles | 37 |
COc1ccc(Cl)cc1N=C(O)CSc1nnc(C)c(C)n1 | unichem_smiles | 29 |
O=C(CCCc1nnc(-c2ccccc2)o1)Oc1ccc(F)cc1Cl | unichem_smiles | 29 |
O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1Br | unichem_smiles | 30 |
CC/C=C\[C@H](C)O | unichem_smiles | 13 |
CCC(=O)N=c1ccn([C@@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c(O)n1 | unichem_smiles | 84 |
CN1C(=O)N(CCc2ccccc2)C(=O)C12CCN(Cc1ccccc1)CC2 | unichem_smiles | 35 |
Cn1nc(-c2cnccn2)cc1CN=C(O)Nc1cccc2ccccc12 | unichem_smiles | 28 |
CONC(O)=NCc1ccc(OC)nc1 | unichem_smiles | 14 |
c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c(-c4ccc(-c5cnc6c(ccc7c(-c8ccccc8)c(-c8ccc(-c9cnc%10c(ccc%11c(-c%12ccccc%12)c(-c%12ccc(-c%13cnc%14c(ccc%15c(-c%16ccccc%16)ccnc%15%14)c%13-c%13ccccc%13)cc%12)cnc%11%10)c9-c9ccccc9)cc8)cnc76)c5-c5ccccc5)cc4)cnc23)cc1 | unichem_smiles | 164 |
Cc1ccc(C2(CN=C(O)N(C)Cc3ccccc3C)CCOCC2)cc1 | unichem_smiles | 33 |
COC1(C(N)Cc2nc3ccccc3s2)CCCC(C)C1 | unichem_smiles | 25 |
Clc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccn1 | unichem_smiles | 30 |
CCCCCN(Cc1nc2c(F)cccc2n1CCC)C(=O)c1csc(C(C)Cn2c(CN(CCC(C)C)C(=O)c3ccsc3)nc3c(F)cccc32)c1 | unichem_smiles | 67 |
CC[C@@H](CCN)N=C(O)c1c(C)cc(C)cc1C | unichem_smiles | 28 |
CCC(C)N=C(O)CN1C(=O)CSC(c2ccc(F)cc2F)c2c(-c3ccccc3)nn(-c3ccccc3Cl)c21 | unichem_smiles | 51 |
CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(CN=C(O)c4cccc(Cl)c4)[C@@H]1OC(C)=O)C32 | unichem_smiles | 69 |
CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)O)C1CCCC1 | unichem_smiles | 38 |
COc1ccc(CN(CCN2CCCCC2)c2nc3ccc(OC)cc3s2)cc1.O=C(O)C=CC(=O)O | unichem_smiles | 44 |
Cc1cc(C(=O)CN2C(=O)C(C)CN=C2O)c(C)n1C | unichem_smiles | 34 |
CC1(C)OB(c2ccc3c4ccc(-c5ccccc5)cc4c4nc5ccccc5n4c3c2)OC1(C)C | unichem_smiles | 43 |
Cc1cc2c3c(c1)N(c1cc4c(cc1C)C(C)(C)CCC4(C)Cc1ccc(N(c4ccccc4)c4ccc5c(c4)N(c4cc6c(cc4-c4ccccc4)C(C)(C)CCC6(C)C)c4cc(C)cc6c4B5c4cc(C(C)(C)C)ccc4N6c4ccc(C(C)(C)C)cc4)cc1)c1cc(N(c4ccccc4)c4ccccc4)ccc1B3c1ccc(-c3ccccc3)cc1N2c1cccc(-c2ccccc2)c1 | unichem_smiles | 181 |
C=CC.O.Sc1ccccc1 | unichem_smiles | 11 |
COc1cc(NS(=O)(=O)c2cnn(CCN)c2)ccc1Br | unichem_smiles | 27 |
CN(C)C/C=C/C(=O)O.COc1ccc(Cn2nc(C3CCCN(C(=O)/C=C/CN(C)C)C3)c3c(Oc4ccc(C)cc4)ccnc32)cc1.COc1ccc(Cn2nc(C3CCCN(C(=O)OC(C)(C)C)C3)c3c(Oc4ccc(C)cc4)ccnc32)cc1.Cc1ccc(Oc2ccnc3[nH]nc(C4CCCN(C(=O)/C=C/CN(C)C)C4)c23)cc1 | unichem_smiles | 168 |
CN(C)c1nc2cc(Cl)nc(Cl)c2[nH]1 | unichem_smiles | 23 |
COCCOc1ccc(N=C(O)C(=O)N2CC(c3ccccc3)CC2C)c(C)c1 | unichem_smiles | 38 |
CCCCCCCCCCCCCCCCCCC(Cc1ccccc1)C(C)(C)N.Cl | unichem_smiles | 22 |
C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)OCC3OC(n4cc(C)c(O)nc4=O)CC3N=[N+]=N)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | unichem_smiles | 134 |
OC(CCc1cc(Br)cs1)=NC1CCNCC1 | unichem_smiles | 18 |
C=CCN1C(O)=[NH+][C@@H](c2ccsc2)C(C(=O)OCC)=C1CN1CCN(C(O)=NC(C)(C)C)[C@H](C)C1 | unichem_smiles | 60 |
C[CH]C(C)(C)CC(C)(C)C | unichem_smiles | 17 |
OC(=NC1Cc2ccc(Cl)cc21)Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1 | unichem_smiles | 40 |
Cc1ccc2c(C)c(C(=O)NCc3ccccc3Cl)[nH]c2c1 | unichem_smiles | 31 |
Cc1cccc(-c2ccccc2S(=O)O)c1O | unichem_smiles | 20 |
CCC(CC)C(CN=C(O)CCCCC(=O)O)N(C)C | unichem_smiles | 25 |
CCC(CC)C1CCC2(CC1)CC(C)C2 | unichem_smiles | 18 |
CC[C@H](C)Oc1c(Br)cc(/C=N\N=C(O)Cc2ccc(F)cc2)cc1OC | unichem_smiles | 40 |
Cc1ccc(C2C(c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc3c[nH]nc3c2)cc1 | unichem_smiles | 45 |
[N-]=[N+]=NC1(Cl)N(Cl)C=C(Cl)N(Cl)C1(Cl)Cl | unichem_smiles | 33 |
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