smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(N3CCn4cc(C(=O)[O-])nc4C3)nc21	ZINC000028868384	563083888	/nfs/dbraw/zinc/08/38/88/563083888.db2.gz	JKNLASDYDOTIOZ-UHFFFAOYSA-N	-2	0	456.415	1.673	1	5		JDBFRL
C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563688	563069039	/nfs/dbraw/zinc/06/90/39/563069039.db2.gz	PGOMXJRSVAJXHH-GHMZBOCLSA-N	-3	0	452.378	1.196	1	5		JDBFRL
C[C@@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127228	563095564	/nfs/dbraw/zinc/09/55/64/563095564.db2.gz	FIXBJJTYFIJIJA-MRVPVSSYSA-N	-2	0	473.373	1.615	1	5		JDBFRL
C[C@H]1COc2c(N3CCn4cc(C(=O)[O-])nc4C3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn1c23	ZINC000029127229	563095579	/nfs/dbraw/zinc/09/55/79/563095579.db2.gz	FIXBJJTYFIJIJA-QMMMGPOBSA-N	-2	0	473.373	1.615	1	5		JDBFRL
C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563745	563069068	/nfs/dbraw/zinc/06/90/68/563069068.db2.gz	HFGWMQQQDYJPME-ZYHUDNBSSA-N	-3	0	452.378	1.196	1	5		JDBFRL
C[C@H](NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[P@](=O)([O-])C[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028563723	563069058	/nfs/dbraw/zinc/06/90/58/563069058.db2.gz	KFSXFOZAAIKWPM-ZYHUDNBSSA-N	-3	0	452.378	1.196	1	5		JDBFRL