smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2ccc(O)cc2occ1-c1cc(F)c(F)c(F)c1	ZINC000045287332	175354087	/nfs/dbraw/zinc/35/40/87/175354087.db2.gz	KXNYZTBSABEQJP-UHFFFAOYSA-N	0	2	292.212	3.583	1	0		CHAFLN
CCc1cc2c(o1)c(O)ccc2C(=O)c1ccc(OC)cc1	ZINC000071319162	176122369	/nfs/dbraw/zinc/12/23/69/176122369.db2.gz	IJDFPTYJKWQYAJ-UHFFFAOYSA-N	0	2	296.322	3.940	1	0		CHAFLN
CC1(C)C=C(/C=C/c2cc(O)cc(O)c2)CC(C)(C)N1O	ZINC000073197717	176460855	/nfs/dbraw/zinc/46/08/55/176460855.db2.gz	VIXQRVBJUIQMPV-AATRIKPKSA-N	0	2	289.375	3.690	1	0		CHAFLN
O=c1cc(-c2cccc(Cl)c2)oc2cc(O)cc(O)c12	ZINC000006534915	170211085	/nfs/dbraw/zinc/21/10/85/170211085.db2.gz	NNZXUWPQCQOANK-UHFFFAOYSA-N	0	2	288.686	3.525	1	0		CHAFLN
O=c1cc(O)cc2oc(-c3cccc(Cl)c3)cc(O)c1-2	ZINC000006534915	170211086	/nfs/dbraw/zinc/21/10/86/170211086.db2.gz	NNZXUWPQCQOANK-UHFFFAOYSA-N	0	2	288.686	3.525	1	0		CHAFLN
Cc1cc2oc(=O)c(Cc3ccccc3)c(O)c2cc1C	ZINC000045285559	175353397	/nfs/dbraw/zinc/35/33/97/175353397.db2.gz	XYLBSWJPINWPSC-UHFFFAOYSA-N	0	2	280.323	3.706	1	0	in-vivo	CHAFLN
CC(=O)c1c(O)ccc2c(=O)c(-c3ccccc3)c(C)oc21	ZINC000015262111	571738660	/nfs/dbraw/zinc/73/86/60/571738660.db2.gz	KTCOGEGNUCOCON-UHFFFAOYSA-N	0	2	294.306	3.677	1	0	endogenous,in-man	CHAFLN
Cc1sc2[nH]c(=O)c(-c3ccccc3)c(O)c2c1C	ZINC000013679994	170577165	/nfs/dbraw/zinc/57/71/65/170577165.db2.gz	GTOLLHPLBZSKQK-UHFFFAOYSA-N	0	2	271.341	3.579	1	0		CHAFLN
O=c1cc(-c2ccc3ccccc3n2)oc2cc(O)ccc12	ZINC000096915000	185129383	/nfs/dbraw/zinc/12/93/83/185129383.db2.gz	XBPQUNTVVXEWNB-UHFFFAOYSA-N	0	2	289.290	3.714	1	0		CHAFLN
CCc1cc2c(ccc(O)c2C(=O)c2ccc(O)cc2)o1	ZINC000071329086	176123951	/nfs/dbraw/zinc/12/39/51/176123951.db2.gz	BSGJRACTLVWNFG-UHFFFAOYSA-N	0	2	282.295	3.637	1	0		CHAFLN
COc1c(C)c[nH+]c(CNc2ccc3[nH]c(C)[nH+]c3c2)c1C	ZINC000095590655	185013735	/nfs/dbraw/zinc/01/37/35/185013735.db2.gz	JXJOHCBKUZJHGY-UHFFFAOYSA-N	0	2	296.374	3.504	1	0		CHAFLN
O=c1oc2ccccc2c(O)c1-c1ccccc1Cl	ZINC000005770786	170139309	/nfs/dbraw/zinc/13/93/09/170139309.db2.gz	TTXSGJJPITZRHZ-UHFFFAOYSA-N	0	2	272.687	3.819	1	0		CHAFLN
C[C@H](Oc1ccc2ccccc2c1)c1n[nH]c(=S)o1	ZINC000045322053	175359522	/nfs/dbraw/zinc/35/95/22/175359522.db2.gz	QCXKEPYWHJPXBJ-VIFPVBQESA-N	0	2	272.329	3.652	1	0		CHAFLN
Nc1ccc2cc(C(=O)Nc3ccccc3)ccc2c1	ZINC000073198678	176460718	/nfs/dbraw/zinc/46/07/18/176460718.db2.gz	ZTEGFZNKYFAQNL-UHFFFAOYSA-N	0	2	262.312	3.674	1	0		CHAFLN
CCc1cc2c(o1)c(O)ccc2C(=O)c1ccc(O)cc1	ZINC000071318476	176121956	/nfs/dbraw/zinc/12/19/56/176121956.db2.gz	XZTGPYIPBPYERP-UHFFFAOYSA-N	0	2	282.295	3.637	1	0		CHAFLN
Nc1[nH+]cc(-c2ccsc2)cc1-c1ccc(C(=O)[O-])cc1	ZINC000045336533	175361006	/nfs/dbraw/zinc/36/10/06/175361006.db2.gz	ULJUPWQUZMBPOX-UHFFFAOYSA-N	0	2	296.351	3.758	1	0		CHAFLN
COc1ccc2cc(CC(C)C)cc(CCNC(C)=O)c2c1	ZINC000073197072	176460560	/nfs/dbraw/zinc/46/05/60/176460560.db2.gz	ZOWOPDJSLTWHMN-UHFFFAOYSA-N	0	2	299.414	3.726	1	0		CHAFLN
O=C([O-])c1cn2c(cc(-c3ccccc3)c3ccccc32)[nH+]1	ZINC000040465133	174274498	/nfs/dbraw/zinc/27/44/98/174274498.db2.gz	NYGQOTBRJHBYNZ-UHFFFAOYSA-N	0	2	288.306	3.853	1	0		CHAFLN
O=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)C=CCO3	ZINC000095601224	185014961	/nfs/dbraw/zinc/01/49/61/185014961.db2.gz	PVUBIPIABHWBAR-UHFFFAOYSA-N	0	2	292.290	3.571	1	0		CHAFLN
C[C@@H](Oc1ccc2ccccc2c1)c1n[nH]c(=S)o1	ZINC000045322056	175359918	/nfs/dbraw/zinc/35/99/18/175359918.db2.gz	QCXKEPYWHJPXBJ-SECBINFHSA-N	0	2	272.329	3.652	1	0		CHAFLN
O=C([O-])c1cn2c([nH+]1)c(-c1ccccc1)cc1ccccc12	ZINC000040640779	174364452	/nfs/dbraw/zinc/36/44/52/174364452.db2.gz	LQMDYTNZTPQZCK-UHFFFAOYSA-N	0	2	288.306	3.853	1	0		CHAFLN
C[C@@H](COc1ccccc1)OC(=S)Nc1ccccc1	ZINC000040895489	174429379	/nfs/dbraw/zinc/42/93/79/174429379.db2.gz	VNYVTYSPNPHBLU-ZDUSSCGKSA-N	0	2	287.384	3.868	1	0		CHAFLN