smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[PH+]1CCC[C@@H]1[C@H]1CCC[P@@H+]1C(C)(C)C ZINC000071771914 567902211 /nfs/dbraw/zinc/90/22/11/567902211.db2.gz SJNUZTRUIDRSJK-JDPPGYRCSA-N 2 1 286.380 5.872 50 0 CKAAMP C[P@@H+](C[PH+](C(C)(C)C)C(C)(C)C)C(C)(C)C ZINC000071771982 567902048 /nfs/dbraw/zinc/90/20/48/567902048.db2.gz UHGZPEYSLJHZCA-UHFFFAOYSA-N 2 1 262.358 5.933 50 0 CKAAMP