smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000566116899	374422541	/nfs/dbraw/zinc/42/25/41/374422541.db2.gz	NSTITLMKJDISSP-CYBMUJFWSA-N	2	1	340.384	-1.094	20	5		EABDMP
C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000566116905	374421328	/nfs/dbraw/zinc/42/13/28/374421328.db2.gz	NSTITLMKJDISSP-ZDUSSCGKSA-N	2	1	340.384	-1.094	20	5		EABDMP
N=c1cc(C[NH3+])ncn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC001156620437	793315672	/nfs/dbraw/zinc/31/56/72/793315672.db2.gz	OEADJCFLLCZUEC-UHFFFAOYSA-N	2	1	331.340	-1.082	20	5		EABDMP
NC(=O)[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC[NH2+]1	ZINC001166723486	793686083	/nfs/dbraw/zinc/68/60/83/793686083.db2.gz	FLDDGLCCQOXWJU-SECBINFHSA-N	2	1	336.356	-1.942	20	5		EABDMP
NC(=O)[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC[NH2+]1	ZINC001166723487	793686352	/nfs/dbraw/zinc/68/63/52/793686352.db2.gz	FLDDGLCCQOXWJU-VIFPVBQESA-N	2	1	336.356	-1.942	20	5		EABDMP