smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C1\C[N@@+]2(CCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000252441293 717165418 /nfs/dbraw/zinc/16/54/18/717165418.db2.gz NNGQLOSIKGOGJJ-VEEWGTDFSA-O 1 0 335.471 3.782 50 50 biogenic EHGARO C/C=C1\C[N@+]2(CCC)CC[C@]34c5ccccc5NC3=C(C=O)[C@H]1C[C@@H]42 ZINC000252441291 717165334 /nfs/dbraw/zinc/16/53/34/717165334.db2.gz NNGQLOSIKGOGJJ-QNRQTEQRSA-O 1 0 335.471 3.782 50 50 biogenic EHGARO C[N+](C)(C)Cc1ccccc1P(c1ccccc1)c1ccccc1 ZINC000101772790 717145155 /nfs/dbraw/zinc/14/51/55/717145155.db2.gz OAEVUDBKCXDZPQ-UHFFFAOYSA-N 1 0 334.423 3.651 50 50 EHGARO