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)=CCC/C(C)=C/Cc1c(O)cc(=O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000005854064	204154591	/nfs/dbraw/zinc/15/45/91/204154591.db2.gz	LUWBCNVXYBOLTM-SFQUDFHCSA-N	0	2	390.479	6.106	10	0	in-vitro	GKAELN
CC(C)=CCC/C(C)=C/Cc1c(=O)cc(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000005854064	204154594	/nfs/dbraw/zinc/15/45/94/204154594.db2.gz	LUWBCNVXYBOLTM-SFQUDFHCSA-N	0	2	390.479	6.106	10	0	in-vitro	GKAELN
O=c1c2ccc(O)cc2oc(C(F)(F)F)c1Oc1cc(Cl)ccc1Cl	ZINC000004227877	204033117	/nfs/dbraw/zinc/03/31/17/204033117.db2.gz	TTYUZJVVDZDCFA-UHFFFAOYSA-N	0	2	391.128	5.617	10	0		GKAELN
Oc1cc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c(Cl)c1Cl	ZINC000004655052	560199494	/nfs/dbraw/zinc/19/94/94/560199494.db2.gz	RKIONRVDQIIZMY-UHFFFAOYSA-N	0	2	376.881	6.980	10	0	in-vitro	GKAELN
Oc1c(Cl)cc(Cl)c(Cl)c1-c1cc(Cl)cc(Cl)c1Cl	ZINC000004655054	560199521	/nfs/dbraw/zinc/19/95/21/560199521.db2.gz	DAGZTNVPVSJCJP-UHFFFAOYSA-N	0	2	376.881	6.980	10	0	in-vitro	GKAELN
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(C(C)(C)c2ccccc2)cc1	ZINC000004227886	220695051	/nfs/dbraw/zinc/69/50/51/220695051.db2.gz	ZKIATNQFUPBGEC-UHFFFAOYSA-N	0	2	386.447	5.925	10	0		GKAELN
Cc1ccc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)c(C(C)(C)C)c1	ZINC000004227873	204032405	/nfs/dbraw/zinc/03/24/05/204032405.db2.gz	FLRNKDRWAPNXNT-UHFFFAOYSA-N	0	2	392.373	5.916	10	0		GKAELN
CC(C)(C)c1ccccc1Oc1c(=O)c2ccc(O)cc2oc1C(F)(F)F	ZINC000004227911	204033307	/nfs/dbraw/zinc/03/33/07/204033307.db2.gz	ZXOJMZBOQWJORN-UHFFFAOYSA-N	0	2	378.346	5.607	10	0		GKAELN
CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccccc3)cc(O)c-2c1=O	ZINC000000967864	209284733	/nfs/dbraw/zinc/28/47/33/209284733.db2.gz	RGGJEENSFLRVRP-UHFFFAOYSA-N	0	2	390.479	5.889	10	0	in-vitro	GKAELN
CC(C)=CCc1c(O)c2c(O)cc(-c3ccccc3)oc-2c(CC=C(C)C)c1=O	ZINC000000967864	209284736	/nfs/dbraw/zinc/28/47/36/209284736.db2.gz	RGGJEENSFLRVRP-UHFFFAOYSA-N	0	2	390.479	5.889	10	0	in-vitro	GKAELN
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(C(C)(C)C)cc1C(C)(C)C	ZINC000004227933	204033277	/nfs/dbraw/zinc/03/32/77/204033277.db2.gz	LQOPJQJRWIVHAF-UHFFFAOYSA-N	0	2	380.484	6.194	10	0		GKAELN
CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccccc3)cc(O)c-2c1=O	ZINC000001532297	560181700	/nfs/dbraw/zinc/18/17/00/560181700.db2.gz	ZGOCQRKXVIGZMZ-SFQUDFHCSA-N	0	2	390.479	6.106	10	0	in-vitro	GKAELN
CC(C)=CCC/C(C)=C/Cc1c(=O)cc2oc(-c3ccccc3)cc(O)c-2c1O	ZINC000001532297	560181702	/nfs/dbraw/zinc/18/17/02/560181702.db2.gz	ZGOCQRKXVIGZMZ-SFQUDFHCSA-N	0	2	390.479	6.106	10	0	in-vitro	GKAELN
CC(C)=CCc1c(O)c(C(=O)C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12	ZINC000005359229	560201414	/nfs/dbraw/zinc/20/14/14/560201414.db2.gz	IWUNXYBEJCJQHB-UHFFFAOYSA-N	0	2	392.451	5.219	10	0	biogenic,in-vitro	GKAELN
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Cl)c1O	ZINC000090624096	208114439	/nfs/dbraw/zinc/11/44/39/208114439.db2.gz	MIFXBNFNNPOWOG-UHFFFAOYSA-N	0	2	383.675	5.336	10	0		GKAELN
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(C)[n+]([O-])c2ccccc21	ZINC000013374284	560215320	/nfs/dbraw/zinc/21/53/20/560215320.db2.gz	ZNSLRZHNFFXDSE-YEFHWUCQSA-N	0	2	379.544	6.449	10	0	in-vitro	GKAELN
Oc1cc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)c1Cl	ZINC000004655053	560199502	/nfs/dbraw/zinc/19/95/02/560199502.db2.gz	CTRVPKRXJXIHDV-UHFFFAOYSA-N	0	2	376.881	6.980	10	0	in-vitro	GKAELN