smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC(=O)Oc1ccc(-c2coc3cc(O)ccc3c2=O)cc1	ZINC000022060198	211337053	/nfs/dbraw/zinc/33/70/53/211337053.db2.gz	QHOPMOMDTCSQMX-UHFFFAOYSA-N	0	2	352.386	4.651	10	0	in-vitro	FJAELN
Cc1c2ccc3ccccc3c2oc1C(=O)Nc1nc(-c2ccoc2)n[nH]1	ZINC000050005913	570542156	/nfs/dbraw/zinc/54/21/56/570542156.db2.gz	FSTITCAYITWGMK-UHFFFAOYSA-N	0	2	358.357	4.525	10	0		FJAELN
CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12	ZINC000014586037	211096370	/nfs/dbraw/zinc/09/63/70/211096370.db2.gz	LYJWLIYDNZREPC-UHFFFAOYSA-N	0	2	372.461	4.894	10	0	endogenous,in-man	FJAELN
Cc1cccc(C)c1Oc1c(=O)c2ccc(O)cc2oc1C(F)(F)F	ZINC000004227893	204129130	/nfs/dbraw/zinc/12/91/30/204129130.db2.gz	IJFDVZXJQXGLNJ-UHFFFAOYSA-N	0	2	350.292	4.927	10	0		FJAELN
CC(C)c1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[nH]2)cc1	ZINC000009709636	204379657	/nfs/dbraw/zinc/37/96/57/204379657.db2.gz	BZHCRDHGTXKFGF-UHFFFAOYSA-N	0	2	354.841	4.688	10	0		FJAELN
Cc1ccc(Oc2c(=O)c3ccc(O)cc3oc2C(F)(F)F)cc1C	ZINC000004227897	204129167	/nfs/dbraw/zinc/12/91/67/204129167.db2.gz	YCWDOXHEQABWJE-UHFFFAOYSA-N	0	2	350.292	4.927	10	0		FJAELN
COc1cc2nc(Nc3nc4ccc(C)cc4s3)sc2cc1OC	ZINC000005122708	204193509	/nfs/dbraw/zinc/19/35/09/204193509.db2.gz	VFLUKJULGRIHSK-UHFFFAOYSA-N	0	2	357.460	4.975	10	0		FJAELN
O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Cc2ccoc2)c1	ZINC000013775724	220093184	/nfs/dbraw/zinc/09/31/84/220093184.db2.gz	OUHUMSRECNFDEY-UHFFFAOYSA-N	0	2	351.789	4.738	10	0		FJAELN
O=C(Nc1ccc(F)cc1Cl)c1[nH]nc2c1CSc1ccccc1-2	ZINC000006748599	207160110	/nfs/dbraw/zinc/16/01/10/207160110.db2.gz	BDMNWUYZLCWNMX-UHFFFAOYSA-N	0	2	359.813	4.727	10	0		FJAELN
C[N@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(Cl)cc2)C1	ZINC000033599476	208095974	/nfs/dbraw/zinc/09/59/74/208095974.db2.gz	IASRGCJDRXUYIV-UVTDQMKNSA-N	0	2	364.832	4.572	10	0		FJAELN
C[N@@H+]1Cc2c(nc3ccccc3c2C(=O)[O-])/C(=C\c2ccc(Cl)cc2)C1	ZINC000033599476	208095980	/nfs/dbraw/zinc/09/59/80/208095980.db2.gz	IASRGCJDRXUYIV-UVTDQMKNSA-N	0	2	364.832	4.572	10	0		FJAELN
C[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)c2c(O)cccc21	ZINC000186274184	567896547	/nfs/dbraw/zinc/89/65/47/567896547.db2.gz	FKCOBNKSAPJZDA-SECBINFHSA-N	0	2	352.217	4.559	10	0		FJAELN
Cc1cc(Br)cc(C)c1Oc1coc2cc(O)ccc2c1=O	ZINC000004227930	207007299	/nfs/dbraw/zinc/00/72/99/207007299.db2.gz	DPBKZEFZYZLXCI-UHFFFAOYSA-N	0	2	361.191	4.670	10	0		FJAELN
O=C([O-])c1c[nH+]c2c(cccc2C(F)(F)F)c1NCCc1ccccc1	ZINC000004226206	207007634	/nfs/dbraw/zinc/00/76/34/207007634.db2.gz	ODHKTSXDVAYYFO-UHFFFAOYSA-N	0	2	360.335	4.606	10	0		FJAELN
COC(=O)C=C(O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1	ZINC000071973855	221391533	/nfs/dbraw/zinc/39/15/33/221391533.db2.gz	KMTJAQCXNSDMCI-WEVVVXLNSA-N	0	2	365.816	4.804	10	0		FJAELN
O=C(c1ccccc1)c1c(O)ccc2c1ccc(O)c2C(=O)c1ccccc1	ZINC000005125451	570587156	/nfs/dbraw/zinc/58/71/56/570587156.db2.gz	RFLQUJYGYVEIIG-UHFFFAOYSA-N	0	2	368.388	4.713	10	0		FJAELN
COc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)c(C(C)(C)C)c1	ZINC000004227884	207007885	/nfs/dbraw/zinc/00/78/85/207007885.db2.gz	HSLUDJWJJMUBLX-UHFFFAOYSA-N	0	2	354.402	4.905	10	0		FJAELN
COc1ccc(NC(=O)c2[nH]nc3c2CSc2ccccc2-3)cc1Cl	ZINC000006748597	207160041	/nfs/dbraw/zinc/16/00/41/207160041.db2.gz	CIHGAGSNROQWKZ-UHFFFAOYSA-N	0	2	371.849	4.597	10	0		FJAELN