smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@@H](CCc1cccc(C(N)=[NH2+])c1)Cn1cnc2cc(C(N)=[NH2+])ccc21 ZINC000013835112 581095704 /nfs/dbraw/zinc/09/57/04/581095704.db2.gz VOHUAWPHONBNQL-KRWDZBQOSA-N 2 0 406.490 2.417 1 0 HEAFRP COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000013525827 581096103 /nfs/dbraw/zinc/09/61/03/581096103.db2.gz IJWGCZQGTQBSAC-JOCHJYFZSA-N 2 0 422.573 2.428 1 0 HEAFRP CCOC(=O)[C@H](CCc1cccc(C(N)=[NH2+])c1)Cn1cnc2cc(C(N)=[NH2+])ccc21 ZINC000140521592 581095573 /nfs/dbraw/zinc/09/55/73/581095573.db2.gz VOHUAWPHONBNQL-QGZVFWFLSA-N 2 0 406.490 2.417 1 0 HEAFRP