smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N2CN(C)C(=O)C[C@@H]2C(=O)N[O-])cc1	ZINC000003821511	210076172	/nfs/dbraw/zinc/07/61/72/210076172.db2.gz	DRWHINQPSIPRHF-LLVKDONJSA-N	-1	3	343.361	-0.621	1	30		EBEFHM
Cc1cc([O-])c2c(c1)O[C@@]1(C(=O)NCCO)C(=CC=C[C@H]1O)C2=O	ZINC000026579015	202145137	/nfs/dbraw/zinc/14/51/37/202145137.db2.gz	SRLBYYFTPDTTRA-DYVFJYSZSA-N	-1	3	331.324	-0.020	1	30		EBEFHM
CON[C@@H]1C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000005888049	560203723	/nfs/dbraw/zinc/20/37/23/560203723.db2.gz	OJLWCTMBGWSVFC-BXKDBHETSA-N	-1	3	345.377	-0.517	1	30	in-vitro	EBEFHM
COc1ccc(S(=O)(=O)N2CCN(C)C[C@@H]2C(=O)N[O-])cc1	ZINC000027211403	202152868	/nfs/dbraw/zinc/15/28/68/202152868.db2.gz	GTRBSPVJGOLISO-GFCCVEGCSA-N	-1	3	329.378	-0.495	1	30		EBEFHM
O=C(CC(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1)N[O-]	ZINC000035276450	202294366	/nfs/dbraw/zinc/29/43/66/202294366.db2.gz	DYBVGNGMGMWQPU-UHFFFAOYSA-N	-1	3	332.360	-0.163	1	30		EBEFHM
CO/N=C1/C[C@H](C(=O)N[O-])N(S(=O)(=O)c2ccc(OC)cc2)C1	ZINC000003923932	210094549	/nfs/dbraw/zinc/09/45/49/210094549.db2.gz	RYMINZKMUZXTLF-CDCQXCROSA-N	-1	3	343.361	-0.034	1	30		EBEFHM
CC#CCOc1ccc(S(=O)(=O)N[C@@H](C(=O)N[O-])[C@H](C)O)cc1	ZINC000003817108	210076993	/nfs/dbraw/zinc/07/69/93/210076993.db2.gz	VMOSDDURWLNMNG-GXFFZTMASA-N	-1	3	342.373	-0.378	1	30		EBEFHM
N[C@H](C(=O)N[O-])C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000035269441	213017045	/nfs/dbraw/zinc/01/70/45/213017045.db2.gz	SHEHMLUZPICLDA-GFCCVEGCSA-N	-1	3	333.348	-0.674	1	30		EBEFHM
N[C@@H](C(=O)N[O-])C(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000035269442	213016724	/nfs/dbraw/zinc/01/67/24/213016724.db2.gz	SHEHMLUZPICLDA-LBPRGKRZSA-N	-1	3	333.348	-0.674	1	30		EBEFHM