smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000017214006	563013781	/nfs/dbraw/zinc/01/37/81/563013781.db2.gz	XJAJBFWPYSQCKP-QGZVFWFLSA-N	0	1	468.422	1.921	1	5		JDBFMN
COc1cc2c3cnc4cc5c(cc4c3n(CCN(CCO)CCO)c(=O)c2cc1OC)OCO5	ZINC000043018648	563164826	/nfs/dbraw/zinc/16/48/26/563164826.db2.gz	OFDLUDCFZPKFLD-UHFFFAOYSA-N	0	1	481.505	1.735	1	5		JDBFMN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCCn4ccnc4[N+](=O)[O-])CC3)c(F)c2)C(=O)O1	ZINC000045298563	563185198	/nfs/dbraw/zinc/18/51/98/563185198.db2.gz	IWRFXZILQDPICM-SFHVURJKSA-N	0	1	489.508	1.604	1	5		JDBFMN
C/C(=C/c1c(O)ccc2c3oc4cc(O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O)ccc4c3c(=O)oc12)CO	ZINC000095485986	291445954	/nfs/dbraw/zinc/44/59/54/291445954.db2.gz	ABAGMVBDRGATCJ-AYCIYJAFSA-N	0	1	470.430	1.611	1	5	biogenic,in-vitro	JDBFMN
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(CCCn4cnc([N+](=O)[O-])c4)CC3)c(F)c2)C(=O)O1	ZINC000045298982	563185317	/nfs/dbraw/zinc/18/53/17/563185317.db2.gz	SSQYCTWRKRIESD-SFHVURJKSA-N	0	1	489.508	1.604	1	5		JDBFMN
COC(=O)C(C(=O)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000017214009	563013819	/nfs/dbraw/zinc/01/38/19/563013819.db2.gz	XJAJBFWPYSQCKP-KRWDZBQOSA-N	0	1	468.422	1.921	1	5		JDBFMN