smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(-n2c([O-])c(C)c(=O)[n-]c2=S)c1	ZINC000013465274	179000574	/nfs/dbraw/zinc/00/05/74/179000574.db2.gz	HYFLJSLTOSMYSX-UHFFFAOYSA-N	-2	3	248.307	2.218	3	0		BEAFHL
Cc1ccccc1-n1c([O-])cc(=O)[n-]c1=S	ZINC000000563616	179241510	/nfs/dbraw/zinc/24/15/10/179241510.db2.gz	WSOHRIHPADODBE-UHFFFAOYSA-N	-2	3	234.280	2.321	3	0		BEAFHL
O=c1cc([O-])n(-c2ccccc2)c(=S)[n-]1	ZINC000009059293	183261483	/nfs/dbraw/zinc/26/14/83/183261483.db2.gz	ONYAAQDUKAPFTP-UHFFFAOYSA-N	-2	3	220.253	2.013	3	0		BEAFHL
Cc1ccc(-c2c[n-]n3c2nc([O-])cc3=O)cc1	ZINC000169342394	178329278	/nfs/dbraw/zinc/32/92/78/178329278.db2.gz	IWGALOIXURQHMH-UHFFFAOYSA-N	-2	3	241.250	2.116	1	0		BEAFHL
C=C1OC(=O)c2c([O-])c(C)c([O-])c(C=O)c2[C@@H]1C	ZINC000014653241	560223991	/nfs/dbraw/zinc/22/39/91/560223991.db2.gz	MKXPEMIYFLKLRY-RXMQYKEDSA-N	-2	3	248.234	2.006	1	0	biogenic,in-vitro	BEAFHL
COc1cc([O-])cc([O-])c1C(=O)c1ccccc1	ZINC000003198924	175005544	/nfs/dbraw/zinc/00/55/44/175005544.db2.gz	CIKBLPYUSUJOHB-UHFFFAOYSA-N	-2	3	244.246	2.337	3	0	in-vitro	BEAFHL
COc1cccc(C(=O)c2ccc([O-])cc2[O-])c1	ZINC000038337311	175247057	/nfs/dbraw/zinc/24/70/57/175247057.db2.gz	QVTNQKRTZSIBPG-UHFFFAOYSA-N	-2	3	244.246	2.337	1	0		BEAFHL
S=c1[n-]nc(Cc2n[n-]c(=S)s2)s1	ZINC000013532599	183314854	/nfs/dbraw/zinc/31/48/54/183314854.db2.gz	XUFJHTRVFXOZOI-UHFFFAOYSA-N	-2	3	248.383	2.306	1	0	in-vivo	BEAFHL
CCCc1cc(=O)c2c([O-])cc([O-])cc2o1	ZINC000006381623	560205660	/nfs/dbraw/zinc/20/56/60/560205660.db2.gz	VNMQMINAFBHHBP-UHFFFAOYSA-N	-2	3	220.224	2.157	1	0	biogenic,in-vitro	BEAFHL