smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN1C(=O)C(=O)N[C@@H]2CC([N+](=O)[O-])[C@H](n3ccnc3)C[C@H]21	ZINC000038410770	685124038	/nfs/dbraw/zinc/12/40/38/685124038.db2.gz	YAAOCIXKQGHUFZ-KYXWUPHJSA-N	-1	3	337.292	-1.357	10	5		EABEHM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2CC([N+](=O)[O-])[C@@H](n3ccnc3)C[C@H]21	ZINC000038410771	685124002	/nfs/dbraw/zinc/12/40/02/685124002.db2.gz	YAAOCIXKQGHUFZ-IMSYWVGJSA-N	-1	3	337.292	-1.357	10	5		EABEHM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2CC([N+](=O)[O-])[C@H](n3ccnc3)C[C@@H]21	ZINC000038410772	685642930	/nfs/dbraw/zinc/64/29/30/685642930.db2.gz	YAAOCIXKQGHUFZ-RGOKHQFPSA-N	-1	3	337.292	-1.357	10	5		EABEHM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2CC([N+](=O)[O-])[C@@H](n3ccnc3)C[C@@H]21	ZINC000038410773	685642885	/nfs/dbraw/zinc/64/28/85/685642885.db2.gz	YAAOCIXKQGHUFZ-KATARQTJSA-N	-1	3	337.292	-1.357	10	5		EABEHM
Nc1cc([N+](=O)[O-])cc(F)c1S(=O)(=O)[N-]CCS(N)(=O)=O	ZINC000050657277	685076132	/nfs/dbraw/zinc/07/61/32/685076132.db2.gz	NTQFYQHXBLKQTC-UHFFFAOYSA-N	-1	3	342.330	-1.117	10	5		EABEHM
Cn1c(=O)c2c(=O)c([N+](=O)[O-])c(N3CCCC3=O)[n-]c2n(C)c1=O	ZINC000101118872	685181099	/nfs/dbraw/zinc/18/10/99/685181099.db2.gz	WJHCGNQDQVPEKA-UHFFFAOYSA-N	-1	3	335.276	-1.040	10	5		EABEHM
Cn1c(=O)c2c([O-])c([N+](=O)[O-])c(N3CCCC3=O)nc2n(C)c1=O	ZINC000101118872	685181096	/nfs/dbraw/zinc/18/10/96/685181096.db2.gz	WJHCGNQDQVPEKA-UHFFFAOYSA-N	-1	3	335.276	-1.040	10	5		EABEHM
Cn1c([O-])c2c(=O)c([N+](=O)[O-])c(N3CCCC3=O)nc-2n(C)c1=O	ZINC000101118872	685181094	/nfs/dbraw/zinc/18/10/94/685181094.db2.gz	WJHCGNQDQVPEKA-UHFFFAOYSA-N	-1	3	335.276	-1.040	10	5		EABEHM
COC[C@@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262221720	265225820	/nfs/dbraw/zinc/22/58/20/265225820.db2.gz	FSCZUTYWZGOXKE-SECBINFHSA-N	-1	3	346.365	-1.037	10	5		EABEHM
COC[C@H](N)C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262221724	265094647	/nfs/dbraw/zinc/09/46/47/265094647.db2.gz	FSCZUTYWZGOXKE-VIFPVBQESA-N	-1	3	346.365	-1.037	10	5		EABEHM