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-])[C@@H](CO)NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21	ZINC000031845715	685775453	/nfs/dbraw/zinc/77/54/53/685775453.db2.gz	OTRVZZVWQTUPJD-MRVPVSSYSA-N	-1	0	339.260	-1.118	10	5		EABERM
O=C([O-])[C@H](CO)NC(=O)CN1CC(=O)Oc2cc([N+](=O)[O-])ccc21	ZINC000031845717	685775205	/nfs/dbraw/zinc/77/52/05/685775205.db2.gz	OTRVZZVWQTUPJD-QMMMGPOBSA-N	-1	0	339.260	-1.118	10	5		EABERM
Cn1c(=O)c2c(=O)c([N+](=O)[O-])c(NCC(=O)[O-])[nH]c2n(C)c1=O	ZINC000033892970	685079722	/nfs/dbraw/zinc/07/97/22/685079722.db2.gz	XYVLPBKTXNWLDV-UHFFFAOYSA-N	-1	0	325.237	-1.258	10	5		EABERM
NS(=O)(=O)CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000036746170	686416291	/nfs/dbraw/zinc/41/62/91/686416291.db2.gz	LSAWVTWQBFHLHE-UHFFFAOYSA-N	-1	0	325.324	-1.133	10	5		EABERM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@H](n3ccnc3)C[C@H]21	ZINC000038410770	685124033	/nfs/dbraw/zinc/12/40/33/685124033.db2.gz	YAAOCIXKQGHUFZ-KYXWUPHJSA-N	-1	0	337.292	-1.357	10	5		EABERM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@@H](n3ccnc3)C[C@H]21	ZINC000038410771	685123992	/nfs/dbraw/zinc/12/39/92/685123992.db2.gz	YAAOCIXKQGHUFZ-IMSYWVGJSA-N	-1	0	337.292	-1.357	10	5		EABERM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@H](n3ccnc3)C[C@@H]21	ZINC000038410772	685642922	/nfs/dbraw/zinc/64/29/22/685642922.db2.gz	YAAOCIXKQGHUFZ-RGOKHQFPSA-N	-1	0	337.292	-1.357	10	5		EABERM
O=C([O-])CN1C(=O)C(=O)N[C@@H]2C[C@H]([N+](=O)[O-])[C@@H](n3ccnc3)C[C@@H]21	ZINC000038410773	685642874	/nfs/dbraw/zinc/64/28/74/685642874.db2.gz	YAAOCIXKQGHUFZ-KATARQTJSA-N	-1	0	337.292	-1.357	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000044699745	374281534	/nfs/dbraw/zinc/28/15/34/374281534.db2.gz	KOVNZSSTXZPVCG-GPTQDWHKSA-N	-1	0	347.280	-1.991	10	5	in-vitro	EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000065747783	685758217	/nfs/dbraw/zinc/75/82/17/685758217.db2.gz	KOVNZSSTXZPVCG-KNDBQHFLSA-N	-1	0	347.280	-1.991	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000065747785	685758220	/nfs/dbraw/zinc/75/82/20/685758220.db2.gz	KOVNZSSTXZPVCG-VEOFNUSFSA-N	-1	0	347.280	-1.991	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000065747787	685758038	/nfs/dbraw/zinc/75/80/38/685758038.db2.gz	KOVNZSSTXZPVCG-LNGZZDABSA-N	-1	0	347.280	-1.991	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000065747790	685758204	/nfs/dbraw/zinc/75/82/04/685758204.db2.gz	KOVNZSSTXZPVCG-KZFLBEFCSA-N	-1	0	347.280	-1.991	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253604638	685665955	/nfs/dbraw/zinc/66/59/55/685665955.db2.gz	KOVNZSSTXZPVCG-WSOSLHDDSA-N	-1	0	347.280	-1.991	10	5		EABERM
COC[C@H]([NH3+])C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000262221724	265094638	/nfs/dbraw/zinc/09/46/38/265094638.db2.gz	FSCZUTYWZGOXKE-VIFPVBQESA-N	-1	0	346.365	-1.037	10	5		EABERM
Cc1ncc([N+](=O)[O-])n1CCO[C@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H]1O	ZINC000575231559	374725351	/nfs/dbraw/zinc/72/53/51/374725351.db2.gz	KOVNZSSTXZPVCG-SSSAOXCUSA-N	-1	0	347.280	-1.991	10	5		EABERM
O=C([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000725391135	686406195	/nfs/dbraw/zinc/40/61/95/686406195.db2.gz	UOYQCPJVCWFMJB-JPYZYGQNSA-N	-1	0	345.260	-1.528	10	5		EABERM
O=C([O-])c1ccc(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000725391136	686406159	/nfs/dbraw/zinc/40/61/59/686406159.db2.gz	UOYQCPJVCWFMJB-XPORZQOISA-N	-1	0	345.260	-1.528	10	5		EABERM
CCn1cc(C(=O)[O-])c(=O)c2c1=C=C([N+]1([O-])CCNCC1)C(F)=C=2	ZINC001083081809	686279498	/nfs/dbraw/zinc/27/94/98/686279498.db2.gz	OYQBBNVCTLAGCA-UHFFFAOYSA-N	-1	0	333.319	-1.006	10	5		EABERM