smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]cc(S(=O)(=O)[N-][C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c(=O)[nH]1 ZINC000218690440 570339249 /nfs/dbraw/zinc/33/92/49/570339249.db2.gz ASKPXXLGNCXAHV-NEBZKDRISA-N -1 1 377.422 -0.012 50 70 GBIAMM