smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cc(O)c(C[NH+]2CCCC2)c2oc(-c3ccccc3)cc(O)c1-2 ZINC000072124365 203164866 /nfs/dbraw/zinc/16/48/66/203164866.db2.gz GKJFTAHRQKCPRS-UHFFFAOYSA-N 1 2 337.375 3.467 1 10 EGCFLO CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@@H](CC)C(=O)N1CC1CC1 ZINC000100971740 204000292 /nfs/dbraw/zinc/00/02/92/204000292.db2.gz UFAXABPZNIVOPU-ZDUSSCGKSA-N 1 2 345.444 3.011 1 10 EGCFLO CN1c2ccccc2Sc2ccc([C@]3(O)C[N@H+](C)CCO3)cc21 ZINC000169307097 529791206 /nfs/dbraw/zinc/79/12/06/529791206.db2.gz YYNJJGDTZUNLPJ-SFHVURJKSA-N 1 2 328.437 3.026 1 10 EGCFLO CN1c2ccccc2Sc2ccc([C@]3(O)C[N@@H+](C)CCO3)cc21 ZINC000169307097 529791207 /nfs/dbraw/zinc/79/12/07/529791207.db2.gz YYNJJGDTZUNLPJ-SFHVURJKSA-N 1 2 328.437 3.026 1 10 EGCFLO CCOc1ccc2c(c1)sc1[n+]2C(=O)[C@H](CC)C(=O)N1CC1CC1 ZINC000100971747 219112542 /nfs/dbraw/zinc/11/25/42/219112542.db2.gz UFAXABPZNIVOPU-CYBMUJFWSA-N 1 2 345.444 3.011 1 10 EGCFLO Nc1ccc(OS(=O)(=O)c2ccc3[nH]c4cc[nH+]cc4c3c2)cc1 ZINC000040896529 213398632 /nfs/dbraw/zinc/39/86/32/213398632.db2.gz QWMCRALNDACUEE-UHFFFAOYSA-N 1 2 339.376 3.066 1 10 EGCFLO C[NH+](C)Cc1ccc2c(sc3nc4n(c(=O)c23)CCCCC4)c1O ZINC000025953064 212501911 /nfs/dbraw/zinc/50/19/11/212501911.db2.gz RROULCJRFKQOLA-UHFFFAOYSA-N 1 2 343.452 3.105 1 10 EGCFLO C[NH+]1CCN(Cc2c3cc(Cc4ccccc4)oc3ccc2O)CC1 ZINC000103262333 219278699 /nfs/dbraw/zinc/27/86/99/219278699.db2.gz PMLNTBMWOYJECU-UHFFFAOYSA-N 1 2 336.435 3.477 1 10 EGCFLO