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(Cl)ccc1NCCNc1cccc[nH+]1	ZINC000048381281	369344963	/nfs/dbraw/zinc/34/49/63/369344963.db2.gz	HWIWFPGXEYSKGD-UHFFFAOYSA-N	1	2	292.726	3.167	40	5		CGBBLO
CN(C)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)[nH+]c2c1	ZINC000045206849	369277995	/nfs/dbraw/zinc/27/79/95/369277995.db2.gz	QFYLQUWGEKCVTJ-UHFFFAOYSA-N	1	2	282.303	3.204	40	5		CGBBLO
C[NH+](C)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1	ZINC000073739876	369865868	/nfs/dbraw/zinc/86/58/68/369865868.db2.gz	HWNNHEZXEGDUPG-UHFFFAOYSA-N	1	2	257.293	3.404	40	5		CGBBLO
OCCCNc1[nH+]c2ccccc2c2ccccc21	ZINC000031719270	368917748	/nfs/dbraw/zinc/91/77/48/368917748.db2.gz	GUJRWACKULQLGI-UHFFFAOYSA-N	1	2	252.317	3.182	40	5		CGBBLO
NC(=O)OCCc1c2ccccc2[nH+]c2ccccc21	ZINC000005011424	170055051	/nfs/dbraw/zinc/05/50/51/170055051.db2.gz	RXOPXZUEEXUFCV-UHFFFAOYSA-N	1	2	266.300	3.026	40	5		CGBBLO
CN(C)NC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000033742959	344936557	/nfs/dbraw/zinc/93/65/57/344936557.db2.gz	ASWBLXLAPVWNLT-UHFFFAOYSA-N	1	2	296.399	3.151	40	5		CGBBLO
O=[N+]([O-])c1cccc2c1C[N@H+](Cc1ccccc1)C2	ZINC000034368315	368974085	/nfs/dbraw/zinc/97/40/85/368974085.db2.gz	FBIQGFYGALSPNL-UHFFFAOYSA-N	1	2	254.289	3.111	40	5		CGBBLO
O=[N+]([O-])c1cccc2c1C[N@@H+](Cc1ccccc1)C2	ZINC000034368315	368974088	/nfs/dbraw/zinc/97/40/88/368974088.db2.gz	FBIQGFYGALSPNL-UHFFFAOYSA-N	1	2	254.289	3.111	40	5		CGBBLO
CCOC(=O)Nc1c2ccccc2[nH+]c2ccccc21	ZINC000004830956	170025670	/nfs/dbraw/zinc/02/56/70/170025670.db2.gz	WZCWORVFRBDQDX-UHFFFAOYSA-N	1	2	266.300	3.378	40	5		CGBBLO
CNC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1	ZINC000409189663	277262719	/nfs/dbraw/zinc/26/27/19/277262719.db2.gz	MLXMTGGPMUTBTK-UHFFFAOYSA-N	1	2	267.357	3.304	40	5		CGBBLO
Cc1cc(N2CCCC2)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000019816171	368769047	/nfs/dbraw/zinc/76/90/47/368769047.db2.gz	BYIUVFQSFOEFAQ-UHFFFAOYSA-N	1	2	257.293	3.052	40	5		CGBBLO