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)(N)CCS(N)(=O)=O 1563967 342947504 /nfs/dbraw/zinc/94/75/04/342947504.db2.gz BHLJGBJTTKEYDM-UHFFFAOYSA-N 1 1 168.242 -1.775 40 5 AABBMO C[N@@H+]1CN2CNC[C@@]([N+](=O)[O-])(C2)C1 19325148 371625571 /nfs/dbraw/zinc/62/55/71/371625571.db2.gz ZTVXLZCRTCJIJJ-ZETCQYMHSA-N 1 1 186.215 -1.233 40 5 AABBMO C[N@H+]1CN2CNC[C@@]([N+](=O)[O-])(C2)C1 19325148 371625579 /nfs/dbraw/zinc/62/55/79/371625579.db2.gz ZTVXLZCRTCJIJJ-ZETCQYMHSA-N 1 1 186.215 -1.233 40 5 AABBMO