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([O-])c1c(=O)nc2c3cccc4c3c(ccc4N3CCOCC3)c1-2	ZINC000045375146	132420783	/nfs/dbraw/zinc/42/07/83/132420783.db2.gz	HWRDLPNUEUDBLH-UHFFFAOYSA-N	-1	0	334.331	2.263	1	5		EEBFRM
O=C(Nc1nnn[n-]1)c1cc(Cl)cc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000029313244	202184555	/nfs/dbraw/zinc/18/45/55/202184555.db2.gz	CQHWPYMRGJFYQL-UHFFFAOYSA-N	-1	0	345.706	2.076	1	5		EEBFRM
Cc1ccc2oc3nc(C)c(C(=O)CC(=O)C(=O)[O-])cc3c(=O)c2c1	ZINC000028645828	202174617	/nfs/dbraw/zinc/17/46/17/202174617.db2.gz	KVWKYQQJBMZAEQ-UHFFFAOYSA-N	-1	0	339.303	2.185	1	5		EEBFRM
O=C([O-])Cn1c2ccccc2nc1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000040565941	213352543	/nfs/dbraw/zinc/35/25/43/213352543.db2.gz	IAIVFVGSEHIQGE-UHFFFAOYSA-N	-1	0	340.295	2.281	1	5		EEBFRM
CC(=O)C(C[C@@H]1C(=O)C2CCN1CC2)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000026377076	212516843	/nfs/dbraw/zinc/51/68/43/212516843.db2.gz	OYCSKQKYVYWFLJ-JKSUJKDBSA-N	-1	0	344.367	2.036	1	5		EEBFRM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000005320518	295028011	/nfs/dbraw/zinc/02/80/11/295028011.db2.gz	JNHXLWWYDPFNKR-DZLLMUEISA-N	-1	0	332.312	2.065	1	5		EEBFRM
CCOCCCCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C(=O)[O-]	ZINC000169308238	528657274	/nfs/dbraw/zinc/65/72/74/528657274.db2.gz	YLQVAYALFZYOQL-UHFFFAOYSA-N	-1	0	334.328	2.494	1	5		EEBFRM
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-]	ZINC000013136329	295254968	/nfs/dbraw/zinc/25/49/68/295254968.db2.gz	AQJMIPJCUWITQP-DZLLMUEISA-N	-1	0	332.312	2.065	1	5		EEBFRM
COC[C@H](O)COc1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000169321977	533118783	/nfs/dbraw/zinc/11/87/83/533118783.db2.gz	APIUBENSUSDCEP-NSHDSACASA-N	-1	0	344.319	2.031	1	5		EEBFRM
Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2cccc([N+](=O)[O-])c2[O-])o1	ZINC000103278124	219281511	/nfs/dbraw/zinc/28/15/11/219281511.db2.gz	CGAQCEXXWFSNEX-UHFFFAOYSA-N	-1	0	331.244	2.264	1	5		EEBFRM
CC(=O)C(C[C@H]1C(=O)C2CCN1CC2)=C([O-])c1ccc([N+](=O)[O-])cc1	ZINC000026377073	202142438	/nfs/dbraw/zinc/14/24/38/202142438.db2.gz	OYCSKQKYVYWFLJ-HOTGVXAUSA-N	-1	0	344.367	2.036	1	5		EEBFRM
O=C([O-])CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	ZINC000003790581	210074608	/nfs/dbraw/zinc/07/46/08/210074608.db2.gz	ALFVGZFBEKKEJT-UHFFFAOYSA-N	-1	0	345.267	2.234	1	5		EEBFRM
O=c1c(=O)c(Nc2cc([N+](=O)[O-])ccc2[O-])c1Nc1ccccc1	ZINC000101046005	219115635	/nfs/dbraw/zinc/11/56/35/219115635.db2.gz	SBZQHVHYXXHHNH-LGMDPLHJSA-N	-1	0	325.280	2.218	1	5		EEBFRM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004962516	295028051	/nfs/dbraw/zinc/02/80/51/295028051.db2.gz	JNHXLWWYDPFNKR-GHSKTYPESA-N	-1	0	332.312	2.065	1	5		EEBFRM
COc1cc(OC)nc(Sc2cccc([N+](=O)[O-])c2C(=O)[O-])n1	ZINC000103198979	219268536	/nfs/dbraw/zinc/26/85/36/219268536.db2.gz	KPDIMNDFNNAMSO-UHFFFAOYSA-N	-1	0	337.313	2.251	1	5		EEBFRM
O=c1nc2n(-c3cccc(F)c3)c3cccc(F)c3cc-2c(=O)[n-]1	ZINC000028641605	202174208	/nfs/dbraw/zinc/17/42/08/202174208.db2.gz	QVDFSQUACWRFOS-UHFFFAOYSA-N	-1	0	325.274	2.457	1	5		EEBFRM
COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	ZINC000004962505	295027743	/nfs/dbraw/zinc/02/77/43/295027743.db2.gz	JNHXLWWYDPFNKR-VQSQSKOLSA-N	-1	0	332.312	2.065	1	5		EEBFRM
C[N+](C)(C)C[C@H](CC(=O)[O-])OC(=O)CCCCCCCCC(=O)[O-]	ZINC000096094887	717141001	/nfs/dbraw/zinc/14/10/01/717141001.db2.gz	GBFPILOKXGQZKW-AWEZNQCLSA-O	-1	0	346.444	2.285	1	5	in-vitro	EEBFRM
COCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])=C([O-])C1	ZINC000103275193	219281521	/nfs/dbraw/zinc/28/15/21/219281521.db2.gz	IMTWSXOMJIFHPX-UHFFFAOYSA-N	-1	0	339.731	2.242	1	5		EEBFRM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000004896349	210315263	/nfs/dbraw/zinc/31/52/63/210315263.db2.gz	CXQLBKWGOVHVJE-UHFFFAOYSA-N	-1	0	333.256	2.470	1	5		EEBFRM