smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 ZINC000216942131 523873636 /nfs/dbraw/zinc/87/36/36/523873636.db2.gz HXBONVZWSJKAHS-UHFFFAOYSA-N 1 1 369.443 -0.002 40 70 FBIBMO