smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1cc([C@@H]2CC(=O)c3ccc([O-])cc3O2)ccc1[O-]	ZINC000072141372	176323371	/nfs/dbraw/zinc/32/33/71/176323371.db2.gz	RSYFAEGTDAJQDM-HNNXBMFYSA-N	-2	3	284.267	2.617	1	0		CFAFHL
c1ccc([N-]c2nsc([N-]c3ccccn3)n2)nc1	ZINC000040379324	174250075	/nfs/dbraw/zinc/25/00/75/174250075.db2.gz	MJCJQQIGIUDHML-UHFFFAOYSA-N	-2	3	270.321	2.815	1	0		CFAFHL
COc1c(CC=C(C)C)c([O-])c(C=O)c([O-])c1C(C)=O	ZINC000013307181	560213982	/nfs/dbraw/zinc/21/39/82/560213982.db2.gz	KWPIOSOVDGRDPO-UHFFFAOYSA-N	-2	3	278.304	2.630	1	0	biogenic,in-vitro	CFAFHL
Cc1ccc(NC(=O)[N-]OCCCCCC(=O)[O-])cc1	ZINC000095595507	185015073	/nfs/dbraw/zinc/01/50/73/185015073.db2.gz	XRUXDVFBCIDXOY-UHFFFAOYSA-N	-2	3	280.324	2.693	1	0		CFAFHL
O=C([O-])c1ccc(-c2cc([O-])c3c(=O)cccc-3o2)cc1	ZINC000096922786	185130975	/nfs/dbraw/zinc/13/09/75/185130975.db2.gz	QQHLULOHMMCVMA-UHFFFAOYSA-N	-2	3	282.251	2.864	1	0		CFAFHL
Cc1c(=O)cc([O-])c2c(O)c(-c3ccc([O-])cc3)coc1-2	ZINC000006232824	170184487	/nfs/dbraw/zinc/18/44/87/170184487.db2.gz	UYKUNBGTZZHHMJ-UHFFFAOYSA-N	-2	3	284.267	2.885	1	0	in-vitro	CFAFHL
O=c1[n-]c(=S)nc2cc(-c3ccc(Cl)cc3)[n-]n21	ZINC000096928233	185131993	/nfs/dbraw/zinc/13/19/93/185131993.db2.gz	QOSNYBQJVZPLSO-UHFFFAOYSA-N	-2	3	278.724	2.813	1	0		CFAFHL
O=P([O-])([O-])Cc1cc(-c2ccc(F)cc2)ccn1	ZINC000072109634	176317319	/nfs/dbraw/zinc/31/73/19/176317319.db2.gz	XXLVADCYTGEKRA-UHFFFAOYSA-N	-2	3	267.196	2.565	1	0		CFAFHL
[O-]C([O-])(C(F)(F)F)C(F)(F)CCCc1ccccc1	ZINC000040393950	174252734	/nfs/dbraw/zinc/25/27/34/174252734.db2.gz	JVTGTXQFSYFADS-UHFFFAOYSA-N	-2	3	284.224	2.888	1	0		CFAFHL
Cc1cc(=O)nc(S[C@H](C(=O)[O-])C2CCCCC2)[n-]1	ZINC000072136947	176322090	/nfs/dbraw/zinc/32/20/90/176322090.db2.gz	ZFAKWIWLINORBW-NSHDSACASA-N	-2	3	282.365	2.500	1	0		CFAFHL
Cc1cc(=O)nc(S[C@@H](C(=O)[O-])C2CCCCC2)[n-]1	ZINC000072136948	176322258	/nfs/dbraw/zinc/32/22/58/176322258.db2.gz	ZFAKWIWLINORBW-LLVKDONJSA-N	-2	3	282.365	2.500	1	0		CFAFHL
COc1cc2ccnc(C(=O)c3ccc([O-])cc3)c2cc1[O-]	ZINC000015251849	560229679	/nfs/dbraw/zinc/22/96/79/560229679.db2.gz	VGRUFROCKGCCHG-UHFFFAOYSA-N	-2	3	295.294	2.886	1	0	biogenic,in-vitro	CFAFHL
CCOc1ccc(-c2c[n-]n3c2nc(=S)[n-]c3=O)cc1	ZINC000096922743	185131690	/nfs/dbraw/zinc/13/16/90/185131690.db2.gz	ADBXBMJLEKGITM-UHFFFAOYSA-N	-2	3	288.332	2.558	1	0		CFAFHL
O=c1oc(-c2ccc([O-])cc2)cc2cc([O-])ccc21	ZINC000006536323	170211396	/nfs/dbraw/zinc/21/13/96/170211396.db2.gz	BDNZCOHHHNRYSV-UHFFFAOYSA-N	-2	3	254.241	2.871	1	0		CFAFHL
O=c1[n-]c(=S)nc2c(-c3ccc(Cl)cc3)c[n-]n21	ZINC000096922737	185130985	/nfs/dbraw/zinc/13/09/85/185130985.db2.gz	YVEBBPQBQQCCAI-UHFFFAOYSA-N	-2	3	278.724	2.813	1	0		CFAFHL