smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N[N+](=O)[O-])C[C@H]1C(N)=O ZINC000035064496 202285816 /nfs/dbraw/zinc/28/58/16/202285816.db2.gz ZJHWTMVKXAJEHT-VGMNWLOBSA-N 0 3 344.376 -3.136 1 30 EAEFHN