smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2ccco2)nc([O-])c1[N+](=O)[O-]	ZINC000008157022	342796574	/nfs/dbraw/zinc/79/65/74/342796574.db2.gz	WRDVZIDGMINMIY-ONEGZZNKSA-N	-2	0	249.182	1.147	40	5		BDBBRL
O=C([O-])C[C@@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000000327586	384056100	/nfs/dbraw/zinc/05/61/00/384056100.db2.gz	REWALNXOIYDJFF-SSDOTTSWSA-N	-2	0	239.183	1.238	40	5	in-vitro	BDBBRL
O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1[O-]	ZINC000002579268	182411209	/nfs/dbraw/zinc/41/12/09/182411209.db2.gz	PJUYGYRWUMRDEI-DAFODLJHSA-N	-2	0	209.157	1.398	40	5		BDBBRL
O=C([O-])Cc1cc([N+](=O)[O-])c([O-])cc1F	ZINC000097447135	384207736	/nfs/dbraw/zinc/20/77/36/384207736.db2.gz	MKXLQZZAIPFYQT-UHFFFAOYSA-N	-2	0	215.136	1.067	40	5		BDBBRL
CC(=O)c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1[O-]	ZINC000001653259	387273338	/nfs/dbraw/zinc/27/33/38/387273338.db2.gz	QDLZDWNEBVTPAI-UHFFFAOYSA-N	-2	0	242.143	1.117	40	5		BDBBRL
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000001715466	387511030	/nfs/dbraw/zinc/51/10/30/387511030.db2.gz	WCQZRBWBYHFDBL-UHFFFAOYSA-N	-2	0	225.156	1.300	40	5		BDBBRL
CCCC(CCC(=O)[O-])(CCC(=O)[O-])[N+](=O)[O-]	ZINC000001857389	168579128	/nfs/dbraw/zinc/57/91/28/168579128.db2.gz	UVQNPQKYHXQSAY-UHFFFAOYSA-N	-2	0	247.247	1.532	40	5		BDBBRL
O=C([O-])C[C@H](C(=O)[O-])c1ccccc1[N+](=O)[O-]	ZINC000004697673	182482432	/nfs/dbraw/zinc/48/24/32/182482432.db2.gz	REWALNXOIYDJFF-ZETCQYMHSA-N	-2	0	239.183	1.238	40	5	in-vitro	BDBBRL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc[nH]2)[nH]1	ZINC000409304892	385553616	/nfs/dbraw/zinc/55/36/16/385553616.db2.gz	SWQMTEXCCGFFGO-ARJAWSKDSA-N	-2	0	248.198	1.295	40	5		BDBBRL
COc1cc(/C=C\C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000008612613	372804383	/nfs/dbraw/zinc/80/43/83/372804383.db2.gz	PQFQIWNHGCVXIB-IHWYPQMZSA-N	-2	0	239.183	1.407	40	5		BDBBRL
O=c1[n-]nc2ccc(nnc1[O-])c1ccccc21	ZINC000017314783	188107446	/nfs/dbraw/zinc/10/74/46/188107446.db2.gz	IPHFJFIFNLCUQS-UHFFFAOYSA-N	-2	0	240.222	1.546	40	5		BDBBRL
O=C([O-])c1cc([N+](=O)[O-])c([O-])cc1F	ZINC000097447134	384214073	/nfs/dbraw/zinc/21/40/73/384214073.db2.gz	MIYOJWIYWUTYKP-UHFFFAOYSA-N	-2	0	201.109	1.138	40	5		BDBBRL
O=c1[n-]c(C=Cc2ccc[nH]2)nc([O-])c1[N+](=O)[O-]	ZINC000409332564	384220049	/nfs/dbraw/zinc/22/00/49/384220049.db2.gz	QHXHRVBIFKXHKV-ARJAWSKDSA-N	-2	0	248.198	1.295	40	5		BDBBRL
O=C([O-])C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000001625461	386496110	/nfs/dbraw/zinc/49/61/10/386496110.db2.gz	MLBHMFODFBLWRF-UHFFFAOYSA-N	-2	0	237.167	1.147	40	5		BDBBRL
O=C([O-])/C=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000002504916	386117800	/nfs/dbraw/zinc/11/78/00/386117800.db2.gz	HCGMDTLRKLJPHE-DUXPYHPUSA-N	-2	0	209.157	1.398	40	5		BDBBRL
O=C([O-])/C=C/c1ccc([N+](=O)[O-])c([O-])c1	ZINC000038863381	388406023	/nfs/dbraw/zinc/40/60/23/388406023.db2.gz	UCDHERSZARNKOB-DUXPYHPUSA-N	-2	0	209.157	1.398	40	5		BDBBRL
COc1cc(/C=C/C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000001747230	174940561	/nfs/dbraw/zinc/94/05/61/174940561.db2.gz	PQFQIWNHGCVXIB-NSCUHMNNSA-N	-2	0	239.183	1.407	40	5		BDBBRL
O=C([O-])c1c(F)ccc([N+](=O)[O-])c1[O-]	ZINC000097447143	384206618	/nfs/dbraw/zinc/20/66/18/384206618.db2.gz	UERRYAMICLGJBJ-UHFFFAOYSA-N	-2	0	201.109	1.138	40	5		BDBBRL
O=C([O-])c1cc(F)c([O-])c([N+](=O)[O-])c1	ZINC000145955896	345233294	/nfs/dbraw/zinc/23/32/94/345233294.db2.gz	JGABJUOSCZREIE-UHFFFAOYSA-N	-2	0	201.109	1.138	40	5		BDBBRL
O=c1[n-]c(C=Cc2ccco2)nc([O-])c1[N+](=O)[O-]	ZINC000101459407	384403974	/nfs/dbraw/zinc/40/39/74/384403974.db2.gz	WRDVZIDGMINMIY-ARJAWSKDSA-N	-2	0	249.182	1.147	40	5		BDBBRL
O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000002504918	386118196	/nfs/dbraw/zinc/11/81/96/386118196.db2.gz	NBECSRZXAMQLLS-SNAWJCMRSA-N	-2	0	209.157	1.398	40	5		BDBBRL
COc1cc(/C=C/C(=O)[O-])c([O-])c([N+](=O)[O-])c1	ZINC000002524654	371569025	/nfs/dbraw/zinc/56/90/25/371569025.db2.gz	RKFZICRZXIFUJB-NSCUHMNNSA-N	-2	0	239.183	1.407	40	5		BDBBRL