smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]([NH3+])CCCNC(=[NH2+])NS(=O)(=O)c1c(C)c2c(c(C)c1C)OC(C)(C)C2 ZINC000208933833 569190227 /nfs/dbraw/zinc/19/02/27/569190227.db2.gz WAVIIAKQONVPGL-OAHLLOKOSA-N 2 2 440.566 1.199 40 30 IDEBLP COc1c(C)cc(S(=O)(=O)NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)OC(C)(C)C)c(C)c1C ZINC000214697759 568742406 /nfs/dbraw/zinc/74/24/06/568742406.db2.gz PQFURAIFTCMANS-OAHLLOKOSA-N 2 2 442.582 1.663 40 30 IDEBLP