smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(/C=N/c2ccc(O)cc2)c1O[C@H](C)C(=O)[O-]	ZINC000409238262	434597495	/nfs/dbraw/zinc/59/74/95/434597495.db2.gz	WOPODBOJVZOGAI-VDCVXVNISA-N	-2	0	315.325	3.003	40	30		DGEBRL
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000408962379	434596169	/nfs/dbraw/zinc/59/61/69/434596169.db2.gz	HWWMJJHNIUVHJT-FRKPEAEDSA-N	-2	0	320.688	3.403	40	30		DGEBRL
O=C([O-])c1ccc(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000003084545	304232486	/nfs/dbraw/zinc/23/24/86/304232486.db2.gz	GQRVMVOAIWGGPA-FRKPEAEDSA-N	-2	0	320.688	3.403	40	30		DGEBRL
Cc1c(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000408905271	434594705	/nfs/dbraw/zinc/59/47/05/434594705.db2.gz	WKNXUOOPQXPJAD-LZYBPNLTSA-N	-2	0	300.270	3.058	40	30		DGEBRL
O=C([O-])c1ccc(Cl)c(/N=C/c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000409081364	304244534	/nfs/dbraw/zinc/24/45/34/304244534.db2.gz	PQDFQOYWZGENAH-FRKPEAEDSA-N	-2	0	320.688	3.403	40	30		DGEBRL
O=C([O-])c1cc(/N=C\c2ccc([O-])c([N+](=O)[O-])c2)ccc1Cl	ZINC000408961088	434595511	/nfs/dbraw/zinc/59/55/11/434595511.db2.gz	ABRXRLLAWZZXGV-APSNUPSMSA-N	-2	0	320.688	3.403	40	30		DGEBRL
O=C([O-])c1ccc(Cl)c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000409107927	304244610	/nfs/dbraw/zinc/24/46/10/304244610.db2.gz	YERNQKPSDZMAEN-FRKPEAEDSA-N	-2	0	320.688	3.403	40	30		DGEBRL
O=C([O-])c1cc(/N=C\c2cccc([N+](=O)[O-])c2[O-])ccc1Cl	ZINC000409070606	304220146	/nfs/dbraw/zinc/22/01/46/304220146.db2.gz	CQTRJHOHMVLKLJ-APSNUPSMSA-N	-2	0	320.688	3.403	40	30		DGEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408963696	434595832	/nfs/dbraw/zinc/59/58/32/434595832.db2.gz	OOHLRHHCTWCBBG-LZYBPNLTSA-N	-2	0	300.270	3.058	40	30		DGEBRL
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc([O-])c([N+](=O)[O-])c1	ZINC000408905540	434596222	/nfs/dbraw/zinc/59/62/22/434596222.db2.gz	YYVKSBYCCWYFMO-PXNMLYILSA-N	-2	0	300.270	3.058	40	30		DGEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cccc([N+](=O)[O-])c1[O-]	ZINC000003001685	431277632	/nfs/dbraw/zinc/27/76/32/431277632.db2.gz	ODOXPBUSDKLXCL-LZYBPNLTSA-N	-2	0	300.270	3.058	40	30		DGEBRL
O=C([O-])c1ccc(/N=C/c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl	ZINC000408963730	434596045	/nfs/dbraw/zinc/59/60/45/434596045.db2.gz	OTOHCDOJNQEANN-FRKPEAEDSA-N	-2	0	320.688	3.403	40	30		DGEBRL
O=C([O-])c1cc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl	ZINC000409106522	304220075	/nfs/dbraw/zinc/22/00/75/304220075.db2.gz	MMQCLQHCJGTSCN-APSNUPSMSA-N	-2	0	320.688	3.403	40	30		DGEBRL
COc1cccc(/C=N/c2ccc(O)cc2)c1O[C@@H](C)C(=O)[O-]	ZINC000409238259	434597902	/nfs/dbraw/zinc/59/79/02/434597902.db2.gz	WOPODBOJVZOGAI-HPAYWCODSA-N	-2	0	315.325	3.003	40	30		DGEBRL
Cc1c(/N=C/c2cccc([N+](=O)[O-])c2[O-])cccc1C(=O)[O-]	ZINC000409087759	434598787	/nfs/dbraw/zinc/59/87/87/434598787.db2.gz	JTZALIUVFNEERW-LZYBPNLTSA-N	-2	0	300.270	3.058	40	30		DGEBRL