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(Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1)N1CCOCC1 ZINC000525017097 1071493378 /nfs/dbraw/zinc/49/33/78/1071493378.db2.gz FRKOHGDYSQNAHI-UHFFFAOYSA-N -2 2 419.419 -0.574 20 0 HBADLL COC(=O)CCS(=O)(=O)Nc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-] ZINC001188392734 1071606453 /nfs/dbraw/zinc/60/64/53/1071606453.db2.gz QYCIJJSJTCZSNL-UHFFFAOYSA-N -2 2 403.412 -0.515 20 0 HBADLL