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-])c1ccccc1S(=O)(=O)N1CCN[C@H](C2(O)C[NH2+]C2)C1	ZINC000116326619	686431673	/nfs/dbraw/zinc/43/16/73/686431673.db2.gz	GZYNGLMPAJZUMM-LBPRGKRZSA-N	1	0	342.377	-1.108	10	5		EABERO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN[C@@H](C2(O)C[NH2+]C2)C1	ZINC000116326623	686431638	/nfs/dbraw/zinc/43/16/38/686431638.db2.gz	GZYNGLMPAJZUMM-GFCCVEGCSA-N	1	0	342.377	-1.108	10	5		EABERO
COC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262221720	265225812	/nfs/dbraw/zinc/22/58/12/265225812.db2.gz	FSCZUTYWZGOXKE-SECBINFHSA-N	1	0	346.365	-1.037	10	5		EABERO
COC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262285060	265218420	/nfs/dbraw/zinc/21/84/20/265218420.db2.gz	MEVTXYUHLJXDFM-LLVKDONJSA-N	1	0	346.365	-1.037	10	5		EABERO
COC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000262285062	265393731	/nfs/dbraw/zinc/39/37/31/265393731.db2.gz	MEVTXYUHLJXDFM-NSHDSACASA-N	1	0	346.365	-1.037	10	5		EABERO
COC[C@@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262286215	264693435	/nfs/dbraw/zinc/69/34/35/264693435.db2.gz	MIVRIAXAYDPAHF-LLVKDONJSA-N	1	0	346.365	-1.037	10	5		EABERO
COC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000262286231	668336627	/nfs/dbraw/zinc/33/66/27/668336627.db2.gz	MIVRIAXAYDPAHF-NSHDSACASA-N	1	0	346.365	-1.037	10	5		EABERO
O=[N+]([O-])C(CO)(CO)[N+](=O)NCCNS(=O)(=O)c1ccccc1	ZINC000585139278	685129296	/nfs/dbraw/zinc/12/92/96/685129296.db2.gz	AEBKWWRNWOGOLB-UHFFFAOYSA-N	1	0	349.345	-1.794	10	5		EABERO
Cc1ccc(C(=O)NCCN[N+](=O)C(CO)(CO)[N+](=O)[O-])cc1	ZINC000585139298	685128974	/nfs/dbraw/zinc/12/89/74/685128974.db2.gz	PEACYTVKKYEGON-UHFFFAOYSA-O	1	0	327.317	-1.034	10	5		EABERO
NC1=[NH+][C@H](O)[C@@H]2N[C@H]([N+](=O)[O-])N([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@H]2N1	ZINC000605696349	685774454	/nfs/dbraw/zinc/77/44/54/685774454.db2.gz	WRUVQXGQGHNXFT-AIVLGTFZSA-N	1	0	334.289	-4.968	10	5		EABERO
NC1=[NH+][C@H](O)[C@@H]2N[C@H]([N+](=O)[O-])N([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H]2N1	ZINC000605696350	685774569	/nfs/dbraw/zinc/77/45/69/685774569.db2.gz	WRUVQXGQGHNXFT-MPBIRJFPSA-N	1	0	334.289	-4.968	10	5		EABERO
NC1=[NH+][C@H](O)[C@@H]2N[C@H]([N+](=O)[O-])N([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)[C@@H]2N1	ZINC000605696352	685774435	/nfs/dbraw/zinc/77/44/35/685774435.db2.gz	WRUVQXGQGHNXFT-MSZJJKQTSA-N	1	0	334.289	-4.968	10	5		EABERO
NC1=[NH+][C@H](O)[C@@H]2N[C@H]([N+](=O)[O-])N([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2N1	ZINC000605696353	685774991	/nfs/dbraw/zinc/77/49/91/685774991.db2.gz	WRUVQXGQGHNXFT-UTCJWNHOSA-N	1	0	334.289	-4.968	10	5		EABERO