smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1nc(-c2ccccc2)no1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000218574302 557208285 /nfs/dbraw/zinc/20/82/85/557208285.db2.gz QZYVFAFMRANMFT-UHFFFAOYSA-N -1 1 434.477 3.467 40 70 IGIBMM O=C(NCc1nc(-c2ccccc2)no1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000218407472 557197260 /nfs/dbraw/zinc/19/72/60/557197260.db2.gz VMIJLXOABZILDE-UHFFFAOYSA-N -1 1 434.477 3.467 40 70 IGIBMM