smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])N2CCOC[C@H]12	ZINC000093883917	436490232	/nfs/dbraw/zinc/49/02/32/436490232.db2.gz	KMQKLEXBTDPOOB-MWLCHTKSSA-N	-1	1	329.150	0.690	10	10		ECCEMM
CCOc1cc(/C=C2\C(=O)NC(=O)N(C)C2=O)ccc1OCC(=O)[O-]	ZINC000059533793	609738289	/nfs/dbraw/zinc/73/82/89/609738289.db2.gz	SGIUQNCHGYXWQF-UXBLZVDNSA-N	-1	1	348.311	0.640	10	10		ECCEMM
O=C1N[C@@H](c2cc(O)cc(Br)c2[O-])N2CCOC[C@@H]12	ZINC000093883919	436490478	/nfs/dbraw/zinc/49/04/78/436490478.db2.gz	KMQKLEXBTDPOOB-GXSJLCMTSA-N	-1	1	329.150	0.690	10	10		ECCEMM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCc1ccc(N)cc1	ZINC000262779770	436942343	/nfs/dbraw/zinc/94/23/43/436942343.db2.gz	OPHPAQKWOMSNKU-UHFFFAOYSA-N	-1	1	338.389	0.690	10	10		ECCEMM
O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCOC[C@H]12	ZINC000093883918	436490540	/nfs/dbraw/zinc/49/05/40/436490540.db2.gz	KMQKLEXBTDPOOB-KOLCDFICSA-N	-1	1	329.150	0.690	10	10		ECCEMM
O=C1N[C@H](c2cc(O)cc(Br)c2[O-])N2CCOC[C@@H]12	ZINC000093883920	296394672	/nfs/dbraw/zinc/39/46/72/296394672.db2.gz	KMQKLEXBTDPOOB-ONGXEEELSA-N	-1	1	329.150	0.690	10	10		ECCEMM