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-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013154383	181834708	/nfs/dbraw/zinc/83/47/08/181834708.db2.gz	CARARMWAMTUKGH-FQPOAREZSA-N	-1	0	304.302	2.280	1	5		DEBFRM
CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1[O-]	ZINC000095607315	185382730	/nfs/dbraw/zinc/38/27/30/185382730.db2.gz	TXGBFMUJGCQMKI-UHFFFAOYSA-N	-1	0	308.212	2.029	1	5		DEBFRM
COc1c(O)cc2oc3cc(C)ncc3c(=O)c2c1C(=O)[O-]	ZINC000096911629	185391295	/nfs/dbraw/zinc/39/12/95/185391295.db2.gz	YKFKVOZQQDHYCE-UHFFFAOYSA-N	-1	0	301.254	2.062	1	5		DEBFRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000013154382	304159364	/nfs/dbraw/zinc/15/93/64/304159364.db2.gz	CARARMWAMTUKGH-GAQJKIJGSA-N	-1	0	304.302	2.280	1	5		DEBFRM
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)[O-])cc1	ZINC000036387458	182821554	/nfs/dbraw/zinc/82/15/54/182821554.db2.gz	CASBTGCUPQIBNJ-UHFFFAOYSA-N	-1	0	315.285	2.004	3	5	in-vitro	DEBFRM
Cn1c([N+](=O)[O-])cnc1SCCOc1ccc(C(=O)[O-])cc1	ZINC000005116579	181204992	/nfs/dbraw/zinc/20/49/92/181204992.db2.gz	NHZHZDRYPDLGOQ-UHFFFAOYSA-N	-1	0	323.330	2.198	1	5		DEBFRM
Cc1cc(=O)n2nc(SCc3ccccc3[N+](=O)[O-])[n-]c2n1	ZINC000095573833	185380555	/nfs/dbraw/zinc/38/05/55/185380555.db2.gz	KOYHPHUKFRMCMG-UHFFFAOYSA-N	-1	0	317.330	2.339	1	5		DEBFRM
Cc1c([O-])c([N+](=O)[O-])cc2cc(Br)c(=O)oc12	ZINC000029132048	182553546	/nfs/dbraw/zinc/55/35/46/182553546.db2.gz	CCAAUVVRSQJJRV-UHFFFAOYSA-N	-1	0	300.064	2.478	1	5		DEBFRM
O=C([O-])[C@@H]1CCn2c(C(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000025997077	182427591	/nfs/dbraw/zinc/42/75/91/182427591.db2.gz	WQOPDXBKFXPQBE-LLVKDONJSA-N	-1	0	300.270	2.199	1	5		DEBFRM
O=C1C[C@H]2C[C@H]2C(=O)C1=C([O-])c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000103153731	185435936	/nfs/dbraw/zinc/43/59/36/185435936.db2.gz	MKTDFJCGANZGFP-JSTDYGSISA-N	-1	0	307.689	2.225	1	5		DEBFRM
O=C([O-])[C@@H]1CCn2c(C(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000025998233	182428066	/nfs/dbraw/zinc/42/80/66/182428066.db2.gz	ZOYBYIRHVONPMB-LLVKDONJSA-N	-1	0	300.270	2.199	1	5		DEBFRM
O=C([O-])CN(C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000003790582	181045867	/nfs/dbraw/zinc/04/58/67/181045867.db2.gz	FTYMQXKRULTMEE-UHFFFAOYSA-N	-1	0	300.270	2.326	1	5		DEBFRM
O=C(c1cccc([N+](=O)[O-])c1)c1[nH]c(=O)c2ccccc2c1[O-]	ZINC000095560932	185379924	/nfs/dbraw/zinc/37/99/24/185379924.db2.gz	UANDSAOFZIWKHC-UHFFFAOYSA-N	-1	0	310.265	2.373	1	5		DEBFRM
O=c1nc2nc[nH]c2c(SCc2ccccc2[N+](=O)[O-])[n-]1	ZINC000003611888	181040665	/nfs/dbraw/zinc/04/06/65/181040665.db2.gz	NNGAUHSOFDHKAV-UHFFFAOYSA-N	-1	0	303.303	2.211	1	5		DEBFRM
Cn1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1/C=C/C(=O)[O-]	ZINC000026727568	182451830	/nfs/dbraw/zinc/45/18/30/182451830.db2.gz	OETJPGNVUJBHAG-VOTSOKGWSA-N	-1	0	300.270	2.262	1	5		DEBFRM
Cc1ncc([N+](=O)[O-])n1CCOc1cc(C)ccc1C(=O)[O-]	ZINC000045351564	183499696	/nfs/dbraw/zinc/49/96/96/183499696.db2.gz	HMOBSQBMAZWSFJ-UHFFFAOYSA-N	-1	0	305.290	2.185	1	5		DEBFRM
O=C([O-])c1cc(-c2ccc([N+](=O)[O-])o2)c2ccccc2[n+]1[O-]	ZINC000001842848	304219452	/nfs/dbraw/zinc/21/94/52/304219452.db2.gz	HOWCLZBHAPFFAN-UHFFFAOYSA-N	-1	0	300.226	2.340	1	5	in-man	DEBFRM