smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NN=Cc1ccc(-c2cc3ccc(C=NNC(N)=[NH2+])cc3s2)cc1 ZINC000044201992 211157006 /nfs/dbraw/zinc/15/70/06/211157006.db2.gz LACOGWPZIPYJQK-WDBPGAOMSA-N 2 2 378.465 1.993 1 30 GDEFLP Cc1cc(COc2ccc(N3CC[C@H]([C@H]([NH3+])C(=O)NO)C3=O)cc2)cc(C)[nH+]1 ZINC000013490357 221270612 /nfs/dbraw/zinc/27/06/12/221270612.db2.gz QFBSFEVNNJBNOX-MSOLQXFVSA-N 2 2 384.436 1.463 1 30 GDEFLP