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)=CCc1c(=O)cc(O)c2c(O)c3c4c(ccc3oc1-2)O[C@H](C(C)(C)O)C4	ZINC000013412036	291131167	/nfs/dbraw/zinc/13/11/67/291131167.db2.gz	CIFXWYICBJRMRC-SFHVURJKSA-N	0	2	396.439	3.941	1	5	biogenic,in-vitro	GHBFLN
O=c1nc2n(-c3ccc(Cl)cc3)c3cccc(C(F)(F)F)c3cc-2c(=O)[nH]1	ZINC000096286454	208301852	/nfs/dbraw/zinc/30/18/52/208301852.db2.gz	BWCGEEAHYQFUJF-UHFFFAOYSA-N	0	2	391.736	3.851	1	5		GHBFLN
Cc1nc2c(ccc3c2[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C2C(=O)OC=C2N3)s1	ZINC000073161051	208033305	/nfs/dbraw/zinc/03/33/05/208033305.db2.gz	FGYXWZJTVBZDNP-OAHLLOKOSA-N	0	2	395.396	3.587	1	5		GHBFLN
O=c1nc2n(-c3ccc(Cl)cc3)c3cc(C(F)(F)F)ccc3cc-2c(=O)[nH]1	ZINC000096286453	211331899	/nfs/dbraw/zinc/33/18/99/211331899.db2.gz	NYIFOXKMKUWWOA-UHFFFAOYSA-N	0	2	391.736	3.851	1	5		GHBFLN
COc1cc(-c2nnc(Nc3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC	ZINC000071318948	222180235	/nfs/dbraw/zinc/18/02/35/222180235.db2.gz	OFHSOWQFDVXYQY-UHFFFAOYSA-N	0	2	388.405	3.883	1	5		GHBFLN
Cc1nc2c(ccc3c2[C@H](c2ccc(O)c([N+](=O)[O-])c2)C2C(=O)OC=C2N3)s1	ZINC000073161050	222266168	/nfs/dbraw/zinc/26/61/68/222266168.db2.gz	FGYXWZJTVBZDNP-HNNXBMFYSA-N	0	2	395.396	3.587	1	5		GHBFLN