smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](Cc3coc(=O)c(C[NH+]4CCSCC4)c3O)CC2)cc1 ZINC000101410551 557284043 /nfs/dbraw/zinc/28/40/43/557284043.db2.gz FHSCLNVZKUMQJQ-UHFFFAOYSA-N 2 2 431.558 2.225 50 10 IECALP Cn1c2cc(-c3cccnc3)c(O)c(C[NH+](C)C)c2c(C(=O)NC[NH+](C)C)c1C[NH+](C)C ZINC000085393716 568817096 /nfs/dbraw/zinc/81/70/96/568817096.db2.gz SHQMTYVOKYPSFE-UHFFFAOYSA-N 3 2 438.576 2.318 50 10 IECALP