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+](C)CCCNC(=S)N/N=C1\C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3 ZINC000020215520 558348076 /nfs/dbraw/zinc/34/80/76/558348076.db2.gz NLIACMGLWULRGV-HIXSDJFHSA-N 2 1 414.623 1.248 10 30 HDEEMP