smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)C1c1ccccc1[N+](C)=O	ZINC000059091065	554374920	/nfs/dbraw/zinc/37/49/20/554374920.db2.gz	HXYJOBDSDIHKNA-AREMUKBSSA-N	2	3	570.528	6.162	40	30		KKEBHP
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)C1c1ccccc1[N+](C)=O	ZINC000035164825	554038834	/nfs/dbraw/zinc/03/88/34/554038834.db2.gz	XJZFPMKAXDRCSP-AREMUKBSSA-N	2	3	509.622	5.539	40	30		KKEBHP
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)C1c1ccccc1[N+](C)=O	ZINC000035164827	554038803	/nfs/dbraw/zinc/03/88/03/554038803.db2.gz	XJZFPMKAXDRCSP-SANMLTNESA-N	2	3	509.622	5.539	40	30		KKEBHP
CN=C(Nc1ccc(C(NC)=[NH+]C)cc1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(=NC)Nc4ccc(C(NC)=[NH+]C)cc4)cc3)cc2)cc1	ZINC000150367464	571465060	/nfs/dbraw/zinc/46/50/60/571465060.db2.gz	BHKMBABQTPOPSK-UHFFFAOYSA-N	2	3	720.882	5.978	40	30		KKEBHP
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccccc1[N+](C)=O	ZINC000035164505	554037807	/nfs/dbraw/zinc/03/78/07/554037807.db2.gz	HKTJLWAYEZTRPU-HHHXNRCGSA-N	2	3	505.659	5.708	40	30		KKEBHP
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)C1c1ccccc1[N+](C)=O	ZINC000059091066	554374843	/nfs/dbraw/zinc/37/48/43/554374843.db2.gz	HXYJOBDSDIHKNA-SANMLTNESA-N	2	3	570.528	6.162	40	30		KKEBHP
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)C1c1ccccc1[N+](C)=O	ZINC000035164507	554037762	/nfs/dbraw/zinc/03/77/62/554037762.db2.gz	HKTJLWAYEZTRPU-MHZLTWQESA-N	2	3	505.659	5.708	40	30		KKEBHP