smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1	ZINC000400459740	226344010	/nfs/dbraw/zinc/34/40/10/226344010.db2.gz	RCPXMGBBSYIJLG-WDEREUQCSA-N	2	1	249.314	1.682	10	5		BDBEMP
C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000601327388	371747547	/nfs/dbraw/zinc/74/75/47/371747547.db2.gz	UXMUHUVXZHHQKM-JQWIXIFHSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000601327388	371747553	/nfs/dbraw/zinc/74/75/53/371747553.db2.gz	UXMUHUVXZHHQKM-JQWIXIFHSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+]	ZINC000601327387	371747330	/nfs/dbraw/zinc/74/73/30/371747330.db2.gz	UXMUHUVXZHHQKM-CMPLNLGQSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+]	ZINC000601327387	371747337	/nfs/dbraw/zinc/74/73/37/371747337.db2.gz	UXMUHUVXZHHQKM-CMPLNLGQSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000037655378	173116052	/nfs/dbraw/zinc/11/60/52/173116052.db2.gz	RUYMVAGRKYXMDH-LBPRGKRZSA-N	2	1	249.314	1.636	10	5		BDBEMP
C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000601327389	371748265	/nfs/dbraw/zinc/74/82/65/371748265.db2.gz	UXMUHUVXZHHQKM-PWSUYJOCSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+]	ZINC000601327389	371748270	/nfs/dbraw/zinc/74/82/70/371748270.db2.gz	UXMUHUVXZHHQKM-PWSUYJOCSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1	ZINC000400459739	226343963	/nfs/dbraw/zinc/34/39/63/226343963.db2.gz	RCPXMGBBSYIJLG-QWRGUYRKSA-N	2	1	249.314	1.682	10	5		BDBEMP
C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000601327557	345770687	/nfs/dbraw/zinc/77/06/87/345770687.db2.gz	WPFIYKTURMKEHX-CMPLNLGQSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000601327557	345770690	/nfs/dbraw/zinc/77/06/90/345770690.db2.gz	WPFIYKTURMKEHX-CMPLNLGQSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1	ZINC000400459738	533461434	/nfs/dbraw/zinc/46/14/34/533461434.db2.gz	RCPXMGBBSYIJLG-MNOVXSKESA-N	2	1	249.314	1.682	10	5		BDBEMP
C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+]	ZINC000601327333	371748136	/nfs/dbraw/zinc/74/81/36/371748136.db2.gz	SXHUAXVDTPGXLB-PWSUYJOCSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000601327558	345770771	/nfs/dbraw/zinc/77/07/71/345770771.db2.gz	WPFIYKTURMKEHX-JQWIXIFHSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000601327558	345770772	/nfs/dbraw/zinc/77/07/72/345770772.db2.gz	WPFIYKTURMKEHX-JQWIXIFHSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000037655377	173147523	/nfs/dbraw/zinc/14/75/23/173147523.db2.gz	RUYMVAGRKYXMDH-GFCCVEGCSA-N	2	1	249.314	1.636	10	5		BDBEMP
C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000601327559	345770765	/nfs/dbraw/zinc/77/07/65/345770765.db2.gz	WPFIYKTURMKEHX-PWSUYJOCSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+]	ZINC000601327559	345770768	/nfs/dbraw/zinc/77/07/68/345770768.db2.gz	WPFIYKTURMKEHX-PWSUYJOCSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1	ZINC000400459737	533461884	/nfs/dbraw/zinc/46/18/84/533461884.db2.gz	RCPXMGBBSYIJLG-GHMZBOCLSA-N	2	1	249.314	1.682	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+]	ZINC000601327331	371748048	/nfs/dbraw/zinc/74/80/48/371748048.db2.gz	SXHUAXVDTPGXLB-CMPLNLGQSA-N	2	1	249.314	1.621	10	5		BDBEMP
C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+]	ZINC000601327332	347211282	/nfs/dbraw/zinc/21/12/82/347211282.db2.gz	SXHUAXVDTPGXLB-JQWIXIFHSA-N	2	1	249.314	1.621	10	5		BDBEMP