smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1c(Cl)cc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl	ZINC000002384291	560186893	/nfs/dbraw/zinc/18/68/93/560186893.db2.gz	WGNCTWHUJUDFCH-UHFFFAOYSA-N	0	2	342.436	6.326	10	0	in-vitro	EKAELN
Oc1c(Cl)cc(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl	ZINC000002384292	560186864	/nfs/dbraw/zinc/18/68/64/560186864.db2.gz	YICLFMBHTHJFHZ-UHFFFAOYSA-N	0	2	342.436	6.326	10	0	in-vitro	EKAELN
Cc1ccc(C(C)(C)C)c(Oc2c(C)oc3cc(O)ccc3c2=O)c1	ZINC000004227913	210149127	/nfs/dbraw/zinc/14/91/27/210149127.db2.gz	SXUFINRVTDJKEJ-UHFFFAOYSA-N	0	2	338.403	5.205	10	0		EKAELN
Cc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227915	210148309	/nfs/dbraw/zinc/14/83/09/210148309.db2.gz	HJAGARHJJCHDOV-UHFFFAOYSA-N	0	2	338.403	5.205	10	0		EKAELN
CCCC(C)(C)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1	ZINC000004227916	210149066	/nfs/dbraw/zinc/14/90/66/210149066.db2.gz	KHSVTLYYNKXLTK-UHFFFAOYSA-N	0	2	338.403	5.369	10	0		EKAELN
Cc1cccc(C(C)(C)C)c1Oc1c(C)oc2cc(O)ccc2c1=O	ZINC000004227920	210148598	/nfs/dbraw/zinc/14/85/98/210148598.db2.gz	VSWGHJCHDMUUHL-UHFFFAOYSA-N	0	2	338.403	5.205	10	0		EKAELN
CCc1ccc(Oc2coc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227923	210148957	/nfs/dbraw/zinc/14/89/57/210148957.db2.gz	QQMLHPPQERUSIH-UHFFFAOYSA-N	0	2	338.403	5.151	10	0		EKAELN
Cc1ccc(-c2ccc(Oc3coc4cc(O)ccc4c3=O)cc2)cc1	ZINC000004227925	210148577	/nfs/dbraw/zinc/14/85/77/210148577.db2.gz	MNFZVMOCAHGOMA-UHFFFAOYSA-N	0	2	344.366	5.266	10	0		EKAELN
Oc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000004335958	210174361	/nfs/dbraw/zinc/17/43/61/210174361.db2.gz	ZSMNFZDPNSUVRP-UHFFFAOYSA-N	0	2	339.609	5.410	10	0		EKAELN
Oc1c(Cl)cc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)n[nH]1	ZINC000004335958	210174359	/nfs/dbraw/zinc/17/43/59/210174359.db2.gz	ZSMNFZDPNSUVRP-UHFFFAOYSA-N	0	2	339.609	5.410	10	0		EKAELN
Oc1cc(Cl)c(-c2c(Cl)cccc2Cl)c(Cl)c1Cl	ZINC000004655392	560199594	/nfs/dbraw/zinc/19/95/94/560199594.db2.gz	WSDQWYJHILVUQZ-UHFFFAOYSA-N	0	2	342.436	6.326	10	0	in-vitro	EKAELN
Cc1nc2ccc(Br)cc2c(-c2ccccc2Cl)n1	ZINC000035531625	201389099	/nfs/dbraw/zinc/38/90/99/201389099.db2.gz	AERXSYISNCHFQR-UHFFFAOYSA-N	0	2	333.616	5.021	10	0		EKAELN
Cc1ccc(N2c3ccc(C)cc3[C@@H](Sc3ccccc3)C2=O)cc1	ZINC000036440110	201388994	/nfs/dbraw/zinc/38/89/94/201388994.db2.gz	CKIJAVJGGMTDNB-OAQYLSRUSA-N	0	2	345.467	5.815	10	0		EKAELN