smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(OC[C@H](O)CO)c1cc(O)c(O)c(O)c1	ZINC000015251517	560096995	/nfs/dbraw/zinc/09/69/95/560096995.db2.gz	PDEQYQCQYAQJPN-ZCFIWIBFSA-N	0	0	244.199	-0.687	1	10	endogenous,in-man	BBCFRN
OC[C@@H]1O[C@@H](Sc2nccs2)[C@H](O)[C@H]1O	ZINC000028705209	183131160	/nfs/dbraw/zinc/13/11/60/183131160.db2.gz	BQDKKHXRGHSZAV-YTLHQDLWSA-N	0	0	249.313	-0.326	1	10		BBCFRN
O=C1COC(=O)[C@H](Cc2ccc(O)c(O)c2)N1	ZINC000028772137	182768263	/nfs/dbraw/zinc/76/82/63/182768263.db2.gz	YSICZTHGARDPOH-ZETCQYMHSA-N	0	0	237.211	-0.318	1	10		BBCFRN
CCn1nc2c(n1)C(=O)c1cnncc1C2=O	ZINC000029123127	172251278	/nfs/dbraw/zinc/25/12/78/172251278.db2.gz	KGHAPBUPHIFEAH-UHFFFAOYSA-N	0	0	229.199	-0.137	1	10		BBCFRN
CCn1nnc2c1C(=O)c1cnncc1C2=O	ZINC000029123133	172288050	/nfs/dbraw/zinc/28/80/50/172288050.db2.gz	IMMFHDPBBANZQP-UHFFFAOYSA-N	0	0	229.199	-0.137	1	10		BBCFRN
Cc1[nH]c(C=C2C(=O)NN=C2N)c(C)c1CCO	ZINC000043059800	177502745	/nfs/dbraw/zinc/50/27/45/177502745.db2.gz	ZFMPKYDJIMBLPX-UITAMQMPSA-N	0	0	248.286	-0.048	1	10		BBCFRN
O=C(Cn1cnnn1)c1ccc(O)c(O)c1	ZINC000066166334	182074744	/nfs/dbraw/zinc/07/47/44/182074744.db2.gz	UDLWLAUONSQIGN-UHFFFAOYSA-N	0	0	220.188	-0.033	1	10		BBCFRN
O[C@H]1N[C@H]2Nc3ccccc3N[C@H]2N[C@H]1O	ZINC000073316880	183213585	/nfs/dbraw/zinc/21/35/85/183213585.db2.gz	SYZXURCOZMCEHB-YNFQOJQRSA-N	0	0	222.248	-0.994	1	10		BBCFRN
O[C@H]1N[C@H]2Nc3ccccc3N[C@@H]2N[C@H]1O	ZINC000073316882	183212705	/nfs/dbraw/zinc/21/27/05/183212705.db2.gz	SYZXURCOZMCEHB-KYXWUPHJSA-N	0	0	222.248	-0.994	1	10		BBCFRN
O[C@H]1N[C@H]2Nc3ccccc3N[C@H]2N[C@@H]1O	ZINC000195461003	183249414	/nfs/dbraw/zinc/24/94/14/183249414.db2.gz	SYZXURCOZMCEHB-UTINFBMNSA-N	0	0	222.248	-0.994	1	10		BBCFRN
O[C@H]1N[C@H]2Nc3ccccc3N[C@@H]2N[C@@H]1O	ZINC000195461011	183249008	/nfs/dbraw/zinc/24/90/08/183249008.db2.gz	SYZXURCOZMCEHB-ZYUZMQFOSA-N	0	0	222.248	-0.994	1	10		BBCFRN
CONNCc1ccc(O)c(O)c1O	ZINC000205421263	368405183	/nfs/dbraw/zinc/40/51/83/368405183.db2.gz	SQWGLJCJQBGPRG-UHFFFAOYSA-N	0	0	200.194	-0.041	2	10		BBCFRN