smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc([O-])ccc1C(F)(F)F	ZINC000016125562	342906609	/nfs/dbraw/zinc/90/66/09/342906609.db2.gz	NIIKTULPELJXBP-UHFFFAOYSA-N	-1	1	207.107	2.319	50	5		BEBAMM
O=c1c2ccccc2oc2cc([O-])cc(O)c12	ZINC000006117594	182988655	/nfs/dbraw/zinc/98/86/55/182988655.db2.gz	GTHOERCJZSJGHB-UHFFFAOYSA-N	-1	1	228.203	2.357	50	5	biogenic	BEBAMM
O=C1[N-]C(=S)NC1=Cc1cccc([N+](=O)[O-])c1	ZINC000006926153	361141562	/nfs/dbraw/zinc/14/15/62/361141562.db2.gz	YLAMPWFIFGRNCQ-YVMONPNESA-N	-1	1	249.251	2.192	50	5	aggregator	BEBAMM
COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1[O-]	ZINC000002519264	346509557	/nfs/dbraw/zinc/50/95/57/346509557.db2.gz	WIUFCJKKYQZFGF-NSCUHMNNSA-N	-1	1	229.619	2.302	50	5		BEBAMM
O=[N+]([O-])c1cc([O-])cc(C(F)(F)F)c1	ZINC000002541350	371576544	/nfs/dbraw/zinc/57/65/44/371576544.db2.gz	JDIAMHNYAPDMRB-UHFFFAOYSA-N	-1	1	207.107	2.319	50	5		BEBAMM
O=c1c2ccc([O-])cc2oc2cc(O)ccc12	ZINC000003894834	342739087	/nfs/dbraw/zinc/73/90/87/342739087.db2.gz	POARTHFLPKAZBQ-UHFFFAOYSA-N	-1	1	228.203	2.357	50	5	biogenic	BEBAMM
O=c1oc2cc(O)cc([O-])c2c2ccccc12	ZINC000005731721	187249128	/nfs/dbraw/zinc/24/91/28/187249128.db2.gz	VLXAGAKGJMXVQF-UHFFFAOYSA-N	-1	1	228.203	2.357	50	5	biogenic	BEBAMM
Cc1nn(C)c(C)c1[N-]c1ncccc1[N+](=O)[O-]	ZINC000007039893	180345464	/nfs/dbraw/zinc/34/54/64/180345464.db2.gz	UVURNBRXKKNNIT-UHFFFAOYSA-N	-1	1	247.258	2.084	50	5		BEBAMM
O=c1oc2cc([O-])ccc2c2cc(O)ccc12	ZINC000038674378	358184455	/nfs/dbraw/zinc/18/44/55/358184455.db2.gz	WDGSXHQNUPZEHA-UHFFFAOYSA-N	-1	1	228.203	2.357	50	5		BEBAMM
Cc1nc2ccc([N+](=O)[O-])cc2c(=S)[n-]1	ZINC000015780538	1166640896	/nfs/dbraw/zinc/64/08/96/1166640896.db2.gz	IQTDQTZHIGWCKV-UHFFFAOYSA-N	-1	1	221.241	2.135	50	5		BEBAMM
O=[N+]([O-])c1cccnc1Sc1ncccc1[O-]	ZINC000000481343	346608102	/nfs/dbraw/zinc/60/81/02/346608102.db2.gz	UYJCQPBJQZKLPI-UHFFFAOYSA-N	-1	1	249.251	2.242	50	5		BEBAMM
O=[N+]([O-])c1cc([O-])ccc1Br	ZINC000021303819	371391429	/nfs/dbraw/zinc/39/14/29/371391429.db2.gz	MTNZLOXGKDQNKA-UHFFFAOYSA-N	-1	1	218.006	2.063	50	5		BEBAMM
CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000100423965	384639693	/nfs/dbraw/zinc/63/96/93/384639693.db2.gz	UKFPACCFXXOSBP-UHFFFAOYSA-N	-1	1	247.254	2.439	50	5		BEBAMM
O=Cc1c([O-])ccc2cc([N+](=O)[O-])ccc21	ZINC000003190907	388368758	/nfs/dbraw/zinc/36/87/58/388368758.db2.gz	NSMXSOJJDHNPSX-UHFFFAOYSA-N	-1	1	217.180	2.266	50	5		BEBAMM