smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N[N-]C(=O)c1ccc(CNC(=O)[O-])o1	ZINC000823585737	603431386	/nfs/dbraw/zinc/43/13/86/603431386.db2.gz	NICPPZMVQKKOQR-UHFFFAOYSA-N	-2	0	241.203	-0.172	20	50		BBGDRL
CN(N=Cc1cn(CC(=O)[O-])nn1)C(=O)[O-]	ZINC000828434747	605452600	/nfs/dbraw/zinc/45/26/00/605452600.db2.gz	LFKCLHPGSUFWBB-UHFFFAOYSA-N	-2	0	227.180	-0.694	20	50		BBGDRL
COCc1cc(C(=O)[N-]NC(=O)[O-])no1	ZINC000829035255	603218066	/nfs/dbraw/zinc/21/80/66/603218066.db2.gz	HVHWNALZJVOHFK-UHFFFAOYSA-N	-2	0	215.165	-0.267	20	50		BBGDRL
Cc1ccc(C(=O)[N-]NC(=O)CNC(=O)[O-])o1	ZINC000830225442	603833794	/nfs/dbraw/zinc/83/37/94/603833794.db2.gz	ORGIWUUFRANVTL-UHFFFAOYSA-N	-2	0	241.203	-0.383	20	50		BBGDRL
O=C([O-])N[N-]C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000832748648	604825744	/nfs/dbraw/zinc/82/57/44/604825744.db2.gz	OZLODUFAAUGOFL-UHFFFAOYSA-N	-2	0	226.148	-0.098	20	50		BBGDRL
CC(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833397618	605867170	/nfs/dbraw/zinc/86/71/70/605867170.db2.gz	GCBCSXDCPZTKCX-UHFFFAOYSA-N	-2	0	213.149	-0.846	20	50		BBGDRL
CC(C)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])no1	ZINC000833467302	605284413	/nfs/dbraw/zinc/28/44/13/605284413.db2.gz	NKWCXDJCIIAXKV-UHFFFAOYSA-N	-2	0	241.203	-0.210	20	50		BBGDRL
CC(C)n1cnc(S(=O)(=O)[N-]NC(=O)[O-])c1	ZINC000833513877	605183777	/nfs/dbraw/zinc/18/37/77/605183777.db2.gz	YRFNZKMYKRECNI-UHFFFAOYSA-N	-2	0	248.264	-0.075	20	50		BBGDRL
CCn1cc(S(=O)(=O)[N-]NC(=O)[O-])nc1C	ZINC000833683483	604510855	/nfs/dbraw/zinc/51/08/55/604510855.db2.gz	RBDZMNCKDCKDBY-UHFFFAOYSA-N	-2	0	248.264	-0.328	20	50		BBGDRL
Cc1cnc(N)c(S(=O)(=O)[N-]NC(=O)[O-])c1	ZINC000833754222	605006603	/nfs/dbraw/zinc/00/66/03/605006603.db2.gz	SGNZIYBLKXPLFH-UHFFFAOYSA-N	-2	0	246.248	-0.567	20	50		BBGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])on1	ZINC000833897547	605467803	/nfs/dbraw/zinc/46/78/03/605467803.db2.gz	CAAOVIAFAPIZPG-UHFFFAOYSA-N	-2	0	242.191	-0.988	20	50		BBGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])no1	ZINC000833898939	605449601	/nfs/dbraw/zinc/44/96/01/605449601.db2.gz	TUSHDSZNSCDUGV-UHFFFAOYSA-N	-2	0	242.191	-0.988	20	50		BBGDRL
Cc1ccoc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833911636	605464822	/nfs/dbraw/zinc/46/48/22/605464822.db2.gz	WDYPSPDCWGRWFV-UHFFFAOYSA-N	-2	0	241.203	-0.383	20	50		BBGDRL
Cc1ncoc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833918960	605459162	/nfs/dbraw/zinc/45/91/62/605459162.db2.gz	XLAZLXBDJKCXKL-UHFFFAOYSA-N	-2	0	242.191	-0.988	20	50		BBGDRL
Cc1ocnc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833939641	605472168	/nfs/dbraw/zinc/47/21/68/605472168.db2.gz	WIVGNOJGJXNYAW-UHFFFAOYSA-N	-2	0	242.191	-0.988	20	50		BBGDRL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]NC(=O)[O-])n1	ZINC000833949939	605844375	/nfs/dbraw/zinc/84/43/75/605844375.db2.gz	DOCXDKBXLCDDDG-UHFFFAOYSA-N	-2	0	229.152	-0.759	20	50		BBGDRL
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]NC(=O)[O-]	ZINC000833961365	605361290	/nfs/dbraw/zinc/36/12/90/605361290.db2.gz	IEOKEMWGDOWXKE-UHFFFAOYSA-N	-2	0	229.152	-0.759	20	50		BBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cncs1	ZINC000834202836	605474977	/nfs/dbraw/zinc/47/49/77/605474977.db2.gz	DJAXUMNOECGHNS-UHFFFAOYSA-N	-2	0	244.232	-0.828	20	50		BBGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cscn1	ZINC000834203313	605446378	/nfs/dbraw/zinc/44/63/78/605446378.db2.gz	QCXHRAVBBXRJOI-UHFFFAOYSA-N	-2	0	244.232	-0.828	20	50		BBGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1ccon1	ZINC000834228519	605840522	/nfs/dbraw/zinc/84/05/22/605840522.db2.gz	KWVOHLUIGUNXRJ-UHFFFAOYSA-N	-2	0	242.191	-0.907	20	50		BBGDRL
O=C([O-])N[N-]C(=O)C(F)(F)C1(O)CCC1	ZINC000834251008	605810925	/nfs/dbraw/zinc/81/09/25/605810925.db2.gz	QKOBXGBDEALMNL-UHFFFAOYSA-N	-2	0	224.163	-0.165	20	50		BBGDRL
O=C([O-])N[N-]C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000834251249	605811008	/nfs/dbraw/zinc/81/10/08/605811008.db2.gz	MKBJKGPCZIPGHB-UHFFFAOYSA-N	-2	0	215.125	-0.770	20	50		BBGDRL