smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(c1ccccc1)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-]	ZINC001200046200	1067421930	/nfs/dbraw/zinc/42/19/30/1067421930.db2.gz	LGBWOILFEXAYAB-UHFFFAOYSA-N	2	2	459.594	4.400	20	5		JIBDLP
CSc1cccc(N(C(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C2CC[NH+](C)CC2)c1	ZINC001353441467	1068137181	/nfs/dbraw/zinc/13/71/81/1068137181.db2.gz	BGFVMMJZFBGYRS-UHFFFAOYSA-N	2	2	451.552	4.243	20	5		JIBDLP
CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116947	1067048093	/nfs/dbraw/zinc/04/80/93/1067048093.db2.gz	GDNIBNAKJNIKNZ-HXUWFJFHSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116947	1067048110	/nfs/dbraw/zinc/04/81/10/1067048110.db2.gz	GDNIBNAKJNIKNZ-HXUWFJFHSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116947	1067048139	/nfs/dbraw/zinc/04/81/39/1067048139.db2.gz	GDNIBNAKJNIKNZ-HXUWFJFHSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116947	1067048155	/nfs/dbraw/zinc/04/81/55/1067048155.db2.gz	GDNIBNAKJNIKNZ-HXUWFJFHSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116946	1067047753	/nfs/dbraw/zinc/04/77/53/1067047753.db2.gz	GDNIBNAKJNIKNZ-FQEVSTJZSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116946	1067047775	/nfs/dbraw/zinc/04/77/75/1067047775.db2.gz	GDNIBNAKJNIKNZ-FQEVSTJZSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116946	1067047790	/nfs/dbraw/zinc/04/77/90/1067047790.db2.gz	GDNIBNAKJNIKNZ-FQEVSTJZSA-N	2	2	463.376	4.246	20	5		JIBDLP
CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)ccn1	ZINC001351116946	1067047807	/nfs/dbraw/zinc/04/78/07/1067047807.db2.gz	GDNIBNAKJNIKNZ-FQEVSTJZSA-N	2	2	463.376	4.246	20	5		JIBDLP
O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	ZINC001318367969	1067033158	/nfs/dbraw/zinc/03/31/58/1067033158.db2.gz	OYAUTIBIYMOIEB-UHFFFAOYSA-N	2	2	498.967	4.459	20	5		JIBDLP