smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1	ZINC000013765346	563005502	/nfs/dbraw/zinc/00/55/02/563005502.db2.gz	WZYKLQAQVKMEFW-UHFFFAOYSA-N	0	1	443.489	2.038	1	5		IEBFMN
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2nc(-c3ccccn3)[nH]c21	ZINC000071330333	563162494	/nfs/dbraw/zinc/16/24/94/563162494.db2.gz	NUBXZQRKWBFRNL-UYAOXDASSA-N	0	1	433.424	2.357	1	5		IEBFMN
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[n-]2)c(=O)c2cc(F)c(N3CC[NH2+]CC3)nc21	ZINC000043015878	563116836	/nfs/dbraw/zinc/11/68/36/563116836.db2.gz	HDRYWULMHFWYMC-UHFFFAOYSA-N	0	1	437.435	2.417	1	5		IEBFMN
Nn1c(=O)c2ccsc2nc1SCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000026024340	563028724	/nfs/dbraw/zinc/02/87/24/563028724.db2.gz	MMMYZINUMDYGEG-UHFFFAOYSA-N	0	1	446.558	2.384	1	5		IEBFMN
COc1cc([C@H](C)OC(=O)[C@@H]([NH3+])[C@H](OCc2ccccc2)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000028099129	563050504	/nfs/dbraw/zinc/05/05/04/563050504.db2.gz	QPWKLGAYALYTQA-NXXSPTCGSA-N	0	1	448.428	2.214	1	5		IEBFMN
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1N1CCOCC1)C2	ZINC000072180366	563166850	/nfs/dbraw/zinc/16/68/50/563166850.db2.gz	JGHSRSTTXIOUBQ-ZDUSSCGKSA-N	0	1	443.382	2.077	1	5		IEBFMN
COc1cc([C@@H](C)OC(=O)[C@@H]([NH3+])[C@H](OCc2ccccc2)C(=O)[O-])c([N+](=O)[O-])cc1OC	ZINC000028099123	563050499	/nfs/dbraw/zinc/05/04/99/563050499.db2.gz	QPWKLGAYALYTQA-HQOQDVMHSA-N	0	1	448.428	2.214	1	5		IEBFMN