smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC3CC3)[C@@H]2C1)N1CCCC1	ZINC000035870185	526785399	/nfs/dbraw/zinc/78/53/99/526785399.db2.gz	BXXCDXMOLMERGJ-FPOVZHCZSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC3CC3)[C@@H]2C1)N1CCCC1	ZINC000035870185	526785400	/nfs/dbraw/zinc/78/54/00/526785400.db2.gz	BXXCDXMOLMERGJ-FPOVZHCZSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC3CC3)[C@@H]2C1)N1CCCC1	ZINC000035870186	526785444	/nfs/dbraw/zinc/78/54/44/526785444.db2.gz	BXXCDXMOLMERGJ-CTNGQTDRSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC3CC3)[C@@H]2C1)N1CCCC1	ZINC000035870186	526785449	/nfs/dbraw/zinc/78/54/49/526785449.db2.gz	BXXCDXMOLMERGJ-CTNGQTDRSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC3CC3)[C@H]2C1)N1CCCC1	ZINC000035870183	526785199	/nfs/dbraw/zinc/78/51/99/526785199.db2.gz	BXXCDXMOLMERGJ-PZJWPPBQSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCC3CC3)[C@H]2C1)N1CCCC1	ZINC000035870183	526785202	/nfs/dbraw/zinc/78/52/02/526785202.db2.gz	BXXCDXMOLMERGJ-PZJWPPBQSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC3CC3)[C@H]2C1)N1CCCC1	ZINC000035870184	526785928	/nfs/dbraw/zinc/78/59/28/526785928.db2.gz	BXXCDXMOLMERGJ-TZIWHRDSSA-N	1	2	441.532	1.406	10	5		IDBELO
O=C(C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCC3CC3)[C@H]2C1)N1CCCC1	ZINC000035870184	526785934	/nfs/dbraw/zinc/78/59/34/526785934.db2.gz	BXXCDXMOLMERGJ-TZIWHRDSSA-N	1	2	441.532	1.406	10	5		IDBELO