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(NO)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOC1	ZINC000000590143	581099789	/nfs/dbraw/zinc/09/97/89/581099789.db2.gz	MEDAEECOIUAMSO-QGZVFWFLSA-N	0	2	412.851	2.075	1	30		HEEFLN
O=C(NCCS)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O	ZINC000044091397	1060224203	/nfs/dbraw/zinc/22/42/03/1060224203.db2.gz	AHMDLJINAVKCDM-OQLLNIDSSA-N	0	2	412.103	2.336	1	30		HEEFLN
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(CCCO)O[C@@H]1C)C3	ZINC000085594163	291210394	/nfs/dbraw/zinc/21/03/94/291210394.db2.gz	UPHQSZUUCNYAQI-LPCJOIQWSA-N	0	2	418.442	2.362	1	30	biogenic,in-vitro	HEEFLN
CC(=O)O[C@H]1C2C(=O)C(=C(C)CO)C(=O)C(=O)C2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913325	291203166	/nfs/dbraw/zinc/20/31/66/291203166.db2.gz	CGEAFLFTMXPWRG-YIDSTKMZSA-N	0	2	406.475	2.014	1	30	biogenic,in-vitro	HEEFLN
Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(CCCO)O[C@@H]1C)C3	ZINC000085594161	291210403	/nfs/dbraw/zinc/21/04/03/291210403.db2.gz	UPHQSZUUCNYAQI-IPTDYSPRSA-N	0	2	418.442	2.362	1	30	biogenic,in-vitro	HEEFLN