smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccsc2)c1	ZINC000000837962	219328910	/nfs/dbraw/zinc/32/89/10/219328910.db2.gz	ASDUOZQLLPOESZ-UHFFFAOYSA-N	0	2	369.829	5.408	10	0		FKAELN
CC(C)OP(=O)(N=C(O)Nc1cc(Cl)cc(Cl)c1)OC(C)C	ZINC000002243751	204030544	/nfs/dbraw/zinc/03/05/44/204030544.db2.gz	KLOSTOLOACOAPI-UHFFFAOYSA-N	0	2	369.185	5.073	10	0		FKAELN
CC(C)(C)c1ccc(Oc2coc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227862	207008044	/nfs/dbraw/zinc/00/80/44/207008044.db2.gz	UCCBMVNNIVURHK-UHFFFAOYSA-N	0	2	366.457	5.886	10	0		FKAELN
O=c1c(Oc2c(Cl)cc(Cl)cc2Cl)coc2cc(O)ccc12	ZINC000004227866	207007562	/nfs/dbraw/zinc/00/75/62/207007562.db2.gz	XIOPFWXSYMGGQU-UHFFFAOYSA-N	0	2	357.576	5.251	10	0		FKAELN
Cc1cc(Cl)ccc1Oc1c(=O)c2ccc(O)cc2oc1C(F)(F)F	ZINC000004227870	204128892	/nfs/dbraw/zinc/12/88/92/204128892.db2.gz	XUQVLKCMFVTKPE-UHFFFAOYSA-N	0	2	370.710	5.272	10	0		FKAELN
Cc1ccc(C)c(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)c1C	ZINC000004227875	207008064	/nfs/dbraw/zinc/00/80/64/207008064.db2.gz	VXEILSMWBUTOQN-UHFFFAOYSA-N	0	2	364.319	5.235	10	0		FKAELN
CCc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227882	204128825	/nfs/dbraw/zinc/12/88/25/204128825.db2.gz	ANSDWQHRGCUEPC-UHFFFAOYSA-N	0	2	352.430	5.459	10	0		FKAELN
Cc1ccc(-c2ccc(Oc3c(C)oc4cc(O)ccc4c3=O)cc2)cc1	ZINC000004227926	204129210	/nfs/dbraw/zinc/12/92/10/204129210.db2.gz	XYBVKCIOSPPROB-UHFFFAOYSA-N	0	2	358.393	5.575	10	0		FKAELN
COc1ccc2nc(Nc3nc4ccc(SC)cc4s3)sc2c1	ZINC000005122697	204192928	/nfs/dbraw/zinc/19/29/28/204192928.db2.gz	WWRGHCYCFVJDJL-UHFFFAOYSA-N	0	2	359.501	5.380	10	0		FKAELN
COc1cccc2sc(Nc3nc4c(cccc4SC)s3)nc21	ZINC000005122700	207082123	/nfs/dbraw/zinc/08/21/23/207082123.db2.gz	NOJCLWAMJLRBOI-UHFFFAOYSA-N	0	2	359.501	5.380	10	0		FKAELN
COc1cccc2sc(Nc3nc4ccc(SC)cc4s3)nc21	ZINC000005122701	204192594	/nfs/dbraw/zinc/19/25/94/204192594.db2.gz	HUVBRUNFWKHTKB-UHFFFAOYSA-N	0	2	359.501	5.380	10	0		FKAELN
O=c1c(Cl)c(C(Cl)(Cl)Cl)[nH]c2c(Cl)cc(Cl)cc12	ZINC000005605840	204217652	/nfs/dbraw/zinc/21/76/52/204217652.db2.gz	NJJNNEZNZSGKJQ-UHFFFAOYSA-N	0	2	365.858	5.727	10	0		FKAELN
CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c(O)c2c1OC(C)(C)C=C2	ZINC000014883284	210234543	/nfs/dbraw/zinc/23/45/43/210234543.db2.gz	SPMYLENUNIKPSS-UHFFFAOYSA-N	0	2	364.441	5.022	10	0		FKAELN
Oc1c(Br)cc(/C=C/c2ccccc2)cc1Br	ZINC000040836561	205082842	/nfs/dbraw/zinc/08/28/42/205082842.db2.gz	WMVYUPRIADVLTH-VOTSOKGWSA-N	0	2	354.041	5.088	10	0	in-vivo	FKAELN