smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCCNC(=S)N/N=C1\C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000020608600 520623097 /nfs/dbraw/zinc/62/30/97/520623097.db2.gz ZSKPETNMNRRBAG-NJNXFGOHSA-N 1 3 428.650 1.737 10 30 IDEEHO