smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1	34994862	167275463	/nfs/dbraw/zinc/27/54/63/167275463.db2.gz	SZFKICZVTLMLIV-UHFFFAOYSA-N	1	0	194.234	2.013	20	5		AEBDRO
CC[NH2+]Cc1cccc([N+](=O)[O-])c1C	35648578	167277543	/nfs/dbraw/zinc/27/75/43/167277543.db2.gz	PTRFYCBSPHWKBE-UHFFFAOYSA-N	1	0	194.234	2.013	20	5		AEBDRO
CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1	20084611	167283497	/nfs/dbraw/zinc/28/34/97/167283497.db2.gz	SZLJNFVZWURMKH-QMMMGPOBSA-N	1	0	194.234	2.265	20	5		AEBDRO
CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	37176713	167283996	/nfs/dbraw/zinc/28/39/96/167283996.db2.gz	LCWRMYMDQRLBRG-QMMMGPOBSA-N	1	0	194.234	2.265	20	5		AEBDRO
CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	37176715	167295658	/nfs/dbraw/zinc/29/56/58/167295658.db2.gz	LCWRMYMDQRLBRG-MRVPVSSYSA-N	1	0	194.234	2.265	20	5		AEBDRO
CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1	20084612	167299630	/nfs/dbraw/zinc/29/96/30/167299630.db2.gz	SZLJNFVZWURMKH-MRVPVSSYSA-N	1	0	194.234	2.265	20	5		AEBDRO
CC[N@H+](C)Cc1ccccc1[N+](=O)[O-]	603581597	346956433	/nfs/dbraw/zinc/95/64/33/346956433.db2.gz	VDRMTHHTAAUHIN-UHFFFAOYSA-N	1	0	194.234	2.047	20	5		AEBDRO