smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNCCNC(=[NH2+])C(=N)NCC[NH2+]CC ZINC000019369509 170110632 /nfs/dbraw/zinc/11/06/32/170110632.db2.gz OJDSAIJEKGOFEP-UHFFFAOYSA-N 2 3 228.344 -0.871 40 30 BBEBHP