smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC/C=C/CCCOP(=O)([O-])[O-]	ZINC000013648495	188343643	/nfs/dbraw/zinc/34/36/43/188343643.db2.gz	KAHLDJCENUPBQU-VOTSOKGWSA-N	-2	0	236.248	3.012	10	0	in-vivo	BGAERL
Fc1ccc([N-]C(=S)[S-])cc1Cl	ZINC000016158863	385402119	/nfs/dbraw/zinc/40/21/19/385402119.db2.gz	XPROQHGFLIYOHP-UHFFFAOYSA-N	-2	0	221.709	3.106	10	0		BGAERL
O=C([O-])c1ccc(-c2ccc([S-])cc2)cc1	ZINC000036139696	182560816	/nfs/dbraw/zinc/56/08/16/182560816.db2.gz	IKKPYNQATXPOCZ-UHFFFAOYSA-N	-2	0	230.288	3.341	10	0		BGAERL
Oc1c([S-])cc([S-])c2ccccc12	ZINC000039235834	183255649	/nfs/dbraw/zinc/25/56/49/183255649.db2.gz	PXLSBRKFVFHEOD-UHFFFAOYSA-N	-2	0	208.307	3.123	10	0		BGAERL
Cc1c2cc(O)c(Cl)cc2sc1C(=O)[O-]	ZINC000039391876	343389676	/nfs/dbraw/zinc/38/96/76/343389676.db2.gz	PNENIOFRXDEHMH-UHFFFAOYSA-N	-2	0	242.683	3.267	10	0		BGAERL
O=C([O-])/C=C/CCCCCCCCCC(=O)[O-]	ZINC000110034117	592706168	/nfs/dbraw/zinc/70/61/68/592706168.db2.gz	QMTCVGUNYZWEJH-CSKARUKUSA-N	-2	0	242.315	3.223	10	0		BGAERL
Nc1ccc(-c2ccc([S-])c(N)c2)cc1[S-]	ZINC000140374068	368973501	/nfs/dbraw/zinc/97/35/01/368973501.db2.gz	GRTZXVWUHJJDBY-UHFFFAOYSA-N	-2	0	248.376	3.095	10	0		BGAERL
O=C([O-])c1cc2cc([S-])ccc2cc1[S-]	ZINC000218666987	350099385	/nfs/dbraw/zinc/09/93/85/350099385.db2.gz	JIPASLUTOGVVOY-UHFFFAOYSA-N	-3	0	236.317	3.115	10	0		BGAERL
O=C([O-])c1cc2cccc([S-])c2cc1[S-]	ZINC000584630636	358300601	/nfs/dbraw/zinc/30/06/01/358300601.db2.gz	OLEKTHAWPGHLPZ-UHFFFAOYSA-N	-3	0	236.317	3.115	10	0		BGAERL
CCC(CC)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057534	538479591	/nfs/dbraw/zinc/47/95/91/538479591.db2.gz	IGYQROWFXSYXNC-UHFFFAOYSA-N	-2	0	242.296	3.048	10	0		BGAERL
CCC[C@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057819	538481030	/nfs/dbraw/zinc/48/10/30/538481030.db2.gz	PZMAOTQENBQQLD-LURJTMIESA-N	-2	0	242.296	3.048	10	0		BGAERL
CCC[C@@H](C)c1cc(C(=O)[O-])sc1C(=O)[O-]	ZINC000675057820	538480634	/nfs/dbraw/zinc/48/06/34/538480634.db2.gz	PZMAOTQENBQQLD-ZCFIWIBFSA-N	-2	0	242.296	3.048	10	0		BGAERL