smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(c4cccc[nH+]4)CC3)c(F)cc2c1=O	ZINC000005940668	132308792	/nfs/dbraw/zinc/30/87/92/132308792.db2.gz	GFOAWKIEQCEMFL-UHFFFAOYSA-N	0	2	408.433	2.895	1	0		HFAFLN
CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)NC1=O	ZINC000028960012	581096476	/nfs/dbraw/zinc/09/64/76/581096476.db2.gz	VPVGVAGTYSVBFL-UHFFFAOYSA-N	0	2	403.366	2.764	1	0		HFAFLN
CCOCCC1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)NC1=O	ZINC000016051705	581096517	/nfs/dbraw/zinc/09/65/17/581096517.db2.gz	XRSYNYGEEYTXJV-UHFFFAOYSA-N	0	2	402.378	2.528	1	0	in-vivo	HFAFLN
COc1c(OC)c(OC)c(-c2cc(=O)c3c(O)cc(O)cc3o2)c(OC)c1OC	ZINC000015271464	291222693	/nfs/dbraw/zinc/22/26/93/291222693.db2.gz	AWJLBZCAQJYFDM-UHFFFAOYSA-N	0	2	404.371	2.914	1	0	biogenic,in-vitro	HFAFLN
COc1c(OC)c(OC)c(-c2cc(O)c3c(=O)cc(O)cc-3o2)c(OC)c1OC	ZINC000015271464	291222697	/nfs/dbraw/zinc/22/26/97/291222697.db2.gz	AWJLBZCAQJYFDM-UHFFFAOYSA-N	0	2	404.371	2.914	1	0	biogenic,in-vitro	HFAFLN
C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn4cc(C(C)(C)C)oc2c34)CC1	ZINC000000598776	536417921	/nfs/dbraw/zinc/41/79/21/536417921.db2.gz	FGFAHVLOQQKLNI-UHFFFAOYSA-N	0	2	401.438	2.932	1	0		HFAFLN
COc1ccc(Oc2ccc(S(=O)(=O)N(C)c3cccn(O)c3=O)cc2)cc1	ZINC000029128667	1041482927	/nfs/dbraw/zinc/48/29/27/1041482927.db2.gz	WIAJGSYMEDWMGP-UHFFFAOYSA-N	0	2	402.428	2.712	1	0		HFAFLN
COc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2OC)cc1OC	ZINC000015271783	291224719	/nfs/dbraw/zinc/22/47/19/291224719.db2.gz	WQBRHVZCPYMWIG-UHFFFAOYSA-N	0	2	404.371	2.914	1	0	biogenic,in-vitro	HFAFLN
C[NH+]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1	ZINC000005850964	132308231	/nfs/dbraw/zinc/30/82/31/132308231.db2.gz	MSEARFWMWBPUNS-UHFFFAOYSA-N	0	2	417.387	2.858	1	0		HFAFLN
CCCCNc1ncc2c(=O)c(C(=O)NOC)cn(-c3ccc4c(c3)CCC4)c2n1	ZINC000040423536	581092775	/nfs/dbraw/zinc/09/27/75/581092775.db2.gz	JEJSSNDSYNIUAX-UHFFFAOYSA-N	0	2	407.474	2.773	1	0		HFAFLN
C[C@H]1COc2c(N3CCN(c4cccc[nH+]4)CC3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000003962373	132269517	/nfs/dbraw/zinc/26/95/17/132269517.db2.gz	DAWSJTKBAXUVRR-ZDUSSCGKSA-N	0	2	424.432	2.514	1	0		HFAFLN
C[NH+]1CCN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2OC(F)F)CC1	ZINC000005850935	536417319	/nfs/dbraw/zinc/41/73/19/536417319.db2.gz	QGGPELITJPDRAG-UHFFFAOYSA-N	0	2	411.380	2.527	1	0		HFAFLN