smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000025984150	204837194	/nfs/dbraw/zinc/83/71/94/204837194.db2.gz	LTFYGPSKMYCUMC-JTQLQIEISA-N	-1	0	385.329	2.032	1	5		GEBFRM
O=C([O-])c1cc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)NC2=O)ccc1Cl	ZINC000014946024	204546749	/nfs/dbraw/zinc/54/67/49/204546749.db2.gz	IGCCKDSIYZVXOF-UHFFFAOYSA-N	-1	0	387.735	2.426	1	5		GEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000013840003	207002726	/nfs/dbraw/zinc/00/27/26/207002726.db2.gz	YHTDQSAANUQNNC-NSHDSACASA-N	-1	0	382.369	2.398	1	5		GEBFRM
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000026377381	207313193	/nfs/dbraw/zinc/31/31/93/207313193.db2.gz	WRHMVVBZEGKLID-LLVKDONJSA-N	-1	0	382.369	2.398	1	5		GEBFRM
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)[O-])cc1	ZINC000027555542	207326704	/nfs/dbraw/zinc/32/67/04/207326704.db2.gz	LYZDQVSPENJBHK-GFCCVEGCSA-N	-1	0	394.405	2.267	1	5		GEBFRM
COc1ccc(S(=O)(=O)N(Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)[O-])cc1	ZINC000013840035	207002482	/nfs/dbraw/zinc/00/24/82/207002482.db2.gz	LYZDQVSPENJBHK-LBPRGKRZSA-N	-1	0	394.405	2.267	1	5		GEBFRM
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)Cc1ccccc1	ZINC000026376632	207312677	/nfs/dbraw/zinc/31/26/77/207312677.db2.gz	PPGWPEJEXSHYJU-CYBMUJFWSA-N	-1	0	378.406	2.400	1	5		GEBFRM
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(F)cc1	ZINC000027555599	207327094	/nfs/dbraw/zinc/32/70/94/207327094.db2.gz	YHTDQSAANUQNNC-LLVKDONJSA-N	-1	0	382.369	2.398	1	5		GEBFRM
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3COCC3(C)C)nc21	ZINC000028868415	207349632	/nfs/dbraw/zinc/34/96/32/207349632.db2.gz	NZLHWAJZJGEGOM-UHFFFAOYSA-N	-1	0	390.396	2.331	1	5		GEBFRM
O=C1[N-]S(=O)(=O)c2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000084596764	208094318	/nfs/dbraw/zinc/09/43/18/208094318.db2.gz	RNCYGUZQAJBKGY-UHFFFAOYSA-N	-1	0	378.391	2.411	1	5		GEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1	ZINC000013840001	210093474	/nfs/dbraw/zinc/09/34/74/210093474.db2.gz	GMJPFGNKYXIGQC-ZDUSSCGKSA-N	-1	0	378.406	2.400	1	5		GEBFRM
Nc1nnc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)s1	ZINC000066112681	211002908	/nfs/dbraw/zinc/00/29/08/211002908.db2.gz	YTSCISGWBBFXPB-UHFFFAOYSA-N	-1	0	377.407	2.496	1	5		GEBFRM
COc1ccc(-c2nn3c(SCC(=O)[O-])nc4ccccc4c3nc2=O)cc1	ZINC000073142413	211125121	/nfs/dbraw/zinc/12/51/21/211125121.db2.gz	QPMKSMCOEFNWAN-UHFFFAOYSA-N	-1	0	394.412	2.490	1	5		GEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)Cc1ccccc1	ZINC000013863120	210096442	/nfs/dbraw/zinc/09/64/42/210096442.db2.gz	PPGWPEJEXSHYJU-ZDUSSCGKSA-N	-1	0	378.406	2.400	1	5		GEBFRM
Cc1c(CC(=O)[O-])c2cccnc2n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000043062484	210804973	/nfs/dbraw/zinc/80/49/73/210804973.db2.gz	JTDZITUKXHOIAB-UHFFFAOYSA-N	-1	0	375.362	2.117	1	5		GEBFRM
CC(=O)N[C@@H](CSC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000066251334	211001962	/nfs/dbraw/zinc/00/19/62/211001962.db2.gz	GJLLDNIVGVMLTA-VIFPVBQESA-N	-1	0	395.315	2.468	1	5		GEBFRM
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1	ZINC000013863121	221292064	/nfs/dbraw/zinc/29/20/64/221292064.db2.gz	WRHMVVBZEGKLID-NSHDSACASA-N	-1	0	382.369	2.398	1	5		GEBFRM
O=c1nc2n(-c3c(F)c(F)c(F)c(F)c3F)c3ccccc3nc-2c(=O)[n-]1	ZINC000013755538	221286757	/nfs/dbraw/zinc/28/67/57/221286757.db2.gz	JWNIFBSKLYWRKA-UHFFFAOYSA-N	-1	0	380.232	2.269	1	5		GEBFRM
Cc1ccc(S(=O)(=O)[N-]c2cncc(-c3cnc(N)nc3)c2)cc1[N+](=O)[O-]	ZINC000073168357	222268070	/nfs/dbraw/zinc/26/80/70/222268070.db2.gz	KYGBRZIMAJDMRJ-UHFFFAOYSA-N	-1	0	386.393	2.138	1	5		GEBFRM
O=C([O-])c1c2oc3ccccc3n2c2cc(N3CC[NH2+]CC3)c(F)cc2c1=O	ZINC000102215428	136189935	/nfs/dbraw/zinc/18/99/35/136189935.db2.gz	BVMNBCFZDUSZQL-UHFFFAOYSA-N	-1	0	381.363	2.446	1	5		GEBFRM
Nc1nnc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)s1	ZINC000066112457	222138134	/nfs/dbraw/zinc/13/81/34/222138134.db2.gz	ZJNCSVNEBXBLRY-UHFFFAOYSA-N	-1	0	377.407	2.496	1	5		GEBFRM