smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OC([C@H](OC(C)=O)C([O-])=C[N+]#N)[C@H](OC(C)=O)C([O-])=C[N+]#N ZINC000005431790 482534254 /nfs/dbraw/zinc/53/42/54/482534254.db2.gz PWMLOHHAGDIDHP-VXGBXAGGSA-N 0 3 354.275 -1.479 40 10 FACBHN CC(=O)OC([C@@H](OC(C)=O)C([O-])=C[N+]#N)[C@@H](OC(C)=O)C([O-])=C[N+]#N ZINC000005431808 482534287 /nfs/dbraw/zinc/53/42/87/482534287.db2.gz PWMLOHHAGDIDHP-RYUDHWBXSA-N 0 3 354.275 -1.479 40 10 FACBHN