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(COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCOCC1	ZINC000008914628	569390932	/nfs/dbraw/zinc/39/09/32/569390932.db2.gz	BJZZSLXXTIXVHM-ZZXKWVIFSA-N	-1	0	402.363	0.792	50	5		HCBARM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@](C(=O)[O-])(C(=O)NC)[C@@H]2C1	ZINC000008997206	535779179	/nfs/dbraw/zinc/77/91/79/535779179.db2.gz	IGNXNFFZFIXBJZ-KBXCAEBGSA-N	-1	0	406.395	0.615	50	5		HCBARM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@](C(=O)[O-])(C(=O)NC)[C@@H]2C1	ZINC000008997207	535779411	/nfs/dbraw/zinc/77/94/11/535779411.db2.gz	IGNXNFFZFIXBJZ-KSSFIOAISA-N	-1	0	406.395	0.615	50	5		HCBARM
CC(C)NC(=O)CN1CCN(C(=O)COc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1	ZINC000009634766	571275133	/nfs/dbraw/zinc/27/51/33/571275133.db2.gz	VFBZWZBECOJJJT-UHFFFAOYSA-N	-1	0	408.411	0.341	50	5		HCBARM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@](C(=O)[O-])(C(=O)NC)[C@H]2C1	ZINC000013591400	535779492	/nfs/dbraw/zinc/77/94/92/535779492.db2.gz	IGNXNFFZFIXBJZ-RDTXWAMCSA-N	-1	0	406.395	0.615	50	5		HCBARM
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000015009531	560779472	/nfs/dbraw/zinc/77/94/72/560779472.db2.gz	HMBPPWBIPQSKLM-UHFFFAOYSA-N	-1	0	408.440	0.992	50	5		HCBARM
O=C(COc1ccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1)N1CCOCC1	ZINC000030840510	568895187	/nfs/dbraw/zinc/89/51/87/568895187.db2.gz	BJZZSLXXTIXVHM-UTCJRWHESA-N	-1	0	402.363	0.379	50	5		HCBARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101764640	560800217	/nfs/dbraw/zinc/80/02/17/560800217.db2.gz	PKEQVGROYARQMZ-ZDUSSCGKSA-N	-1	0	401.379	0.786	50	5		HCBARM
CCOc1cc([N+](=O)[O-])c(C(=O)[N-]S(=O)(=O)c2c(N)noc2C)cc1OC	ZINC000225856975	568783263	/nfs/dbraw/zinc/78/32/63/568783263.db2.gz	WEEZZKFJAYKXNQ-UHFFFAOYSA-N	-1	0	400.369	0.999	50	5		HCBARM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@](C(=O)[O-])(C(=O)NC)[C@H]2C1	ZINC000245325963	571224613	/nfs/dbraw/zinc/22/46/13/571224613.db2.gz	IGNXNFFZFIXBJZ-KDOFPFPSSA-N	-1	0	406.395	0.615	50	5		HCBARM