smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1[nH]c2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029127389	581091881	/nfs/dbraw/zinc/09/18/81/581091881.db2.gz	VCNCKDLZUXUYIX-SIKLNZKXSA-N	-1	3	421.497	2.961	1	30		HFEFHM
CO[C@H]1C2=C(C(=O)C(=O)C([C@@H](C)COC(C)=O)=C2[O-])[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913323	291222307	/nfs/dbraw/zinc/22/23/07/291222307.db2.gz	BFNZTROYCRMMRA-AJUWASLKSA-N	-1	3	420.502	2.668	1	30	biogenic,in-vitro	HFEFHM
CO[C@H]1C2=C(C(=O)C([O-])=C([C@@H](C)COC(C)=O)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O	ZINC000095913323	291222308	/nfs/dbraw/zinc/22/23/08/291222308.db2.gz	BFNZTROYCRMMRA-AJUWASLKSA-N	-1	3	420.502	2.668	1	30	biogenic,in-vitro	HFEFHM
N[C@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)N[O-])c1ccccc1	ZINC000026655483	581098533	/nfs/dbraw/zinc/09/85/33/581098533.db2.gz	HDTLIPGODNAYEM-NRFANRHFSA-N	-1	3	412.467	2.612	1	30		HFEFHM
COc1ccc(S(=O)(=O)C2(C(=O)N[O-])CCN(C3CCCCCCC3)CC2)cc1	ZINC000013520999	581097716	/nfs/dbraw/zinc/09/77/16/581097716.db2.gz	GJICTISPMDMSQH-UHFFFAOYSA-N	-1	3	424.563	2.922	1	30		HFEFHM
Nc1cccc(-c2csc(NC(=O)CCCCc3cc(C(=O)N[O-])no3)n2)c1	ZINC000040896978	581100697	/nfs/dbraw/zinc/10/06/97/581100697.db2.gz	VEZHOKIXUARAOE-UHFFFAOYSA-N	-1	3	401.448	2.851	1	30		HFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@H]2CCCC[C@H]2C(=O)N[O-])cc1	ZINC000003821532	581097611	/nfs/dbraw/zinc/09/76/11/581097611.db2.gz	BDCJZZXWIQJYLP-UXHICEINSA-N	-1	3	418.515	2.950	1	30		HFEFHM
COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2C(=O)N[O-])cc1	ZINC000003821531	581097727	/nfs/dbraw/zinc/09/77/27/581097727.db2.gz	BDCJZZXWIQJYLP-WOJBJXKFSA-N	-1	3	418.515	2.950	1	30		HFEFHM
O=C(Nc1nc(C2(C(=O)N[O-])CC2)cs1)c1cccc(COc2ccccc2)n1	ZINC000028457766	581101318	/nfs/dbraw/zinc/10/13/18/581101318.db2.gz	DFFKHRZBDXKFRH-UHFFFAOYSA-N	-1	3	410.455	2.906	1	30		HFEFHM
Cc1oc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)N[O-])cc1	ZINC000029127330	581091685	/nfs/dbraw/zinc/09/16/85/581091685.db2.gz	AXERWECZRIZWCH-VQTJNVASSA-N	-1	3	408.454	2.972	1	30		HFEFHM
N[C@@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)N[O-])c1ccccc1	ZINC000026655479	581098556	/nfs/dbraw/zinc/09/85/56/581098556.db2.gz	HDTLIPGODNAYEM-OAQYLSRUSA-N	-1	3	412.467	2.612	1	30		HFEFHM