smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC[C@H](C)[PH+]1CC[PH+]1[C@@H](C)CC[C@@H]1C ZINC000002572356 567848448 /nfs/dbraw/zinc/84/84/48/567848448.db2.gz IRCDUOCGSIGEAI-XUXIUFHCSA-N 2 0 258.326 5.092 50 0 CKAARP C[C@@H]1CC[C@@H](C)[PH+]1CC[PH+]1[C@H](C)CC[C@H]1C ZINC000002572357 567848386 /nfs/dbraw/zinc/84/83/86/567848386.db2.gz IRCDUOCGSIGEAI-AAVRWANBSA-N 2 0 258.326 5.092 50 0 CKAARP CC(C)(C)[PH+]1CCC[C@@H]1[C@H]1CCC[P@H+]1C(C)(C)C ZINC000071771914 567902209 /nfs/dbraw/zinc/90/22/09/567902209.db2.gz SJNUZTRUIDRSJK-JDPPGYRCSA-N 2 0 286.380 5.872 50 0 CKAARP C[P@H+](C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C ZINC000071771982 567902047 /nfs/dbraw/zinc/90/20/47/567902047.db2.gz UHGZPEYSLJHZCA-UHFFFAOYSA-N 2 0 262.358 5.933 50 0 CKAARP