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(C[N+]12CC[N+](CC(=O)N3CCOCC3)(CC1)CC2)N1CCOCC1 ZINC000003279507 210462271 /nfs/dbraw/zinc/46/22/71/210462271.db2.gz IVADSZWBIUYQJY-UHFFFAOYSA-N 2 0 368.478 -1.635 50 30 FAEARP