smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)/[N+]([O-])=N\Oc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000040763304	183130071	/nfs/dbraw/zinc/13/00/71/183130071.db2.gz	ZGSBKHBMCGCFDL-OBGWFSINSA-N	0	3	322.243	3.127	1	10		DGCFHN
CN(C)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005845152	181289037	/nfs/dbraw/zinc/28/90/37/181289037.db2.gz	VFPXGZCZMBPZJD-UHFFFAOYSA-N	0	3	310.357	3.270	1	10		DGCFHN
[O-]c1ccccc1C[N@@H+]1CCC[C@@H](N2CCc3ccccc3C2)C1	ZINC000022926112	182341085	/nfs/dbraw/zinc/34/10/85/182341085.db2.gz	FNHBKSGFXNXDLJ-HXUWFJFHSA-N	0	3	322.452	3.415	3	10		DGCFHN
[O-]c1ccccc1C[N@H+]1CCC[C@@H](N2CCc3ccccc3C2)C1	ZINC000022926112	182341087	/nfs/dbraw/zinc/34/10/87/182341087.db2.gz	FNHBKSGFXNXDLJ-HXUWFJFHSA-N	0	3	322.452	3.415	3	10		DGCFHN
C[N@@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1	ZINC000026396282	283171514	/nfs/dbraw/zinc/17/15/14/283171514.db2.gz	IRCCNHZTYVNMQW-CQSZACIVSA-N	0	3	319.788	3.077	1	10		DGCFHN
C[N@H+]1CCc2c(Cl)c([O-])c(O)cc2[C@@H](c2ccc(O)cc2)C1	ZINC000026396282	283171515	/nfs/dbraw/zinc/17/15/15/283171515.db2.gz	IRCCNHZTYVNMQW-CQSZACIVSA-N	0	3	319.788	3.077	1	10		DGCFHN
[O-]c1ccccc1C[N@@H+]1CCC[C@H](N2CCc3ccccc3C2)C1	ZINC000022926117	182341485	/nfs/dbraw/zinc/34/14/85/182341485.db2.gz	FNHBKSGFXNXDLJ-FQEVSTJZSA-N	0	3	322.452	3.415	3	10		DGCFHN
[O-]c1ccccc1C[N@H+]1CCC[C@H](N2CCc3ccccc3C2)C1	ZINC000022926117	182341489	/nfs/dbraw/zinc/34/14/89/182341489.db2.gz	FNHBKSGFXNXDLJ-FQEVSTJZSA-N	0	3	322.452	3.415	3	10		DGCFHN
Oc1cc2c(cc1O)[C@@H](c1ccc(Br)cc1)NCC2	ZINC000003727774	181044722	/nfs/dbraw/zinc/04/47/22/181044722.db2.gz	KUMLYMARUJDDOO-OAHLLOKOSA-N	0	3	320.186	3.095	1	10		DGCFHN