smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(SC2CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000015442750 558740288 /nfs/dbraw/zinc/74/02/88/558740288.db2.gz AYSRARHJXLHJQP-UHFFFAOYSA-N 0 1 410.380 6.015 30 0 HKACMN O=c1[nH]c(-c2ccc(-c3ccccc3)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl ZINC000015443908 559056512 /nfs/dbraw/zinc/05/65/12/559056512.db2.gz JKISDXZQELGTEZ-UHFFFAOYSA-N 0 1 416.695 5.855 30 0 HKACMN