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)cc2oc(-c2ccc(O)c(O)c2)c1OCCO	ZINC000027211548	202153156	/nfs/dbraw/zinc/15/31/56/202153156.db2.gz	LQTDROCMLDYTSO-UHFFFAOYSA-N	0	2	330.292	1.948	1	10		EDCFLN
CO[C@H](C)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	ZINC000013307119	201057232	/nfs/dbraw/zinc/05/72/32/201057232.db2.gz	YUVCACNTQJHROF-ZCFIWIBFSA-N	0	2	330.292	1.992	1	10		EDCFLN
CCCCOC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21	ZINC000101634528	204016568	/nfs/dbraw/zinc/01/65/68/204016568.db2.gz	VXJWXXXNAGXANY-QMMMGPOBSA-N	0	2	348.307	1.923	1	10		EDCFLN
CCc1cc(C)cc(CC)c1C1C(=O)N2CCC(O)CCN2C1=O	ZINC000103183065	219266840	/nfs/dbraw/zinc/26/68/40/219266840.db2.gz	MUEPNULEMYOUFC-UHFFFAOYSA-N	0	2	330.428	1.944	1	10		EDCFLN
Cc1[nH+]c[nH]c1CSCCNc1ncccc1S(=O)(=O)[O-]	ZINC000040466834	213310621	/nfs/dbraw/zinc/31/06/21/213310621.db2.gz	XWFWONGVOOFGHH-UHFFFAOYSA-N	0	2	328.419	1.705	1	10		EDCFLN
CCCCn1c2nc(=O)[nH]c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2	ZINC000027866846	202161938	/nfs/dbraw/zinc/16/19/38/202161938.db2.gz	BXXYEYFJKBUZMA-UHFFFAOYSA-N	0	2	349.346	1.883	1	10		EDCFLN
CCCOc1ccc(N(C)C)cc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1	ZINC000039291405	213232304	/nfs/dbraw/zinc/23/23/04/213232304.db2.gz	KSTNTJJWMVBVBR-UHFFFAOYSA-N	0	2	341.375	1.472	1	10		EDCFLN
COc1cc2c(=O)oc3c(O)c(O)cc4c(=O)oc(c1OC)c2c43	ZINC000015150613	560097735	/nfs/dbraw/zinc/09/77/35/560097735.db2.gz	DMPZOHHHRRENRS-UHFFFAOYSA-N	0	2	330.248	1.919	1	10	endogenous,in-man	EDCFLN