smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@@H](N)[C@H](Cl)C(=O)[O-] 59834041 717132053 /nfs/dbraw/zinc/13/20/53/717132053.db2.gz PCSUSCYKRIEPLL-RITPCOANSA-O 0 0 195.670 -0.288 10 50 ABGERN C[N+](C)(C)C[C@H](N)[C@H](Cl)C(=O)[O-] 59834036 717132044 /nfs/dbraw/zinc/13/20/44/717132044.db2.gz PCSUSCYKRIEPLL-WDSKDSINSA-O 0 0 195.670 -0.288 10 50 ABGERN C[N+](C)(N)C(=O)[O-] 584622651 717184634 /nfs/dbraw/zinc/18/46/34/717184634.db2.gz PWTOJHKPJBFXDV-UHFFFAOYSA-O 0 0 105.117 -0.386 10 50 ABGERN COC(=O)[C@@H](N)[C@@H](Cl)C(=O)OC 217697826 574025989 /nfs/dbraw/zinc/02/59/89/574025989.db2.gz VMVKTBDHIFETLC-DMTCNVIQSA-N 0 0 195.602 -0.733 10 50 ABGERN