smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000008655374	518260953	/nfs/dbraw/zinc/26/09/53/518260953.db2.gz	LTKHPMDRMUCUEB-LJQANCHMSA-N	-2	0	477.477	1.193	40	30	investigational	JDEBRL
Cc1c(C#N)c(=O)n(C)c([O-])c1C(c1ccc([N+](=O)[O-])cc1)c1c(C)c(C#N)c(=O)n(C)c1[O-]	ZINC000019144025	556332039	/nfs/dbraw/zinc/33/20/39/556332039.db2.gz	KEOKIWSFLIULSF-UHFFFAOYSA-N	-2	0	461.434	1.944	40	30		JDEBRL
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=NNc1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226485	569843356	/nfs/dbraw/zinc/84/33/56/569843356.db2.gz	ZIDJEHPMQGWOSC-ALCYHSHISA-N	-2	0	487.472	1.192	40	30		JDEBRL
N=C(N)NN=Cc1oc(-c2ccc(S(=O)(=O)[O-])o2)c(-c2ccc(S(=O)(=O)[O-])o2)c1[N+](=O)[O-]	ZINC000001630332	194129710	/nfs/dbraw/zinc/12/97/10/194129710.db2.gz	YFNWGOKSQBGLEX-YAXRCOADSA-N	-2	0	489.400	1.018	40	30		JDEBRL
Cn1c([O-])c(C(c2ccc(C#N)cc2)c2c([O-])n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S	ZINC000409096923	570126979	/nfs/dbraw/zinc/12/69/79/570126979.db2.gz	LARVFZQAKJAIFP-UHFFFAOYSA-N	-2	0	457.537	1.683	40	30		JDEBRL
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=NNc1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000049780752	563203581	/nfs/dbraw/zinc/20/35/81/563203581.db2.gz	ZIDJEHPMQGWOSC-SSZLYDSASA-N	-2	0	487.472	1.192	40	30		JDEBRL
COc1cc(C=Nn2cnnc2N=NCc2ccc(OCC(=O)[O-])c(OC)c2)ccc1OCC(=O)[O-]	ZINC000035188675	569677756	/nfs/dbraw/zinc/67/77/56/569677756.db2.gz	KLKCULVLMORRDT-IUUWICKGSA-N	-2	0	498.452	1.550	40	30		JDEBRL
C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1	ZINC000008655373	518259977	/nfs/dbraw/zinc/25/99/77/518259977.db2.gz	LTKHPMDRMUCUEB-IBGZPJMESA-N	-2	0	477.477	1.193	40	30	in-vivo	JDEBRL
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=NNc1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226495	569843341	/nfs/dbraw/zinc/84/33/41/569843341.db2.gz	ZIDJEHPMQGWOSC-WMPBZCDFSA-N	-2	0	487.472	1.192	40	30		JDEBRL
COc1cc(S(=O)(=O)[O-])ccc1N=NC(=NNc1ccc(S(=O)(=O)[O-])cc1OC)C(N)=O	ZINC000104226489	569843424	/nfs/dbraw/zinc/84/34/24/569843424.db2.gz	ZIDJEHPMQGWOSC-XBGSEFDOSA-N	-2	0	487.472	1.192	40	30		JDEBRL
N=C(N)NN=Cc1oc(-c2ccc(S(=O)(=O)[O-])o2)c(-c2ccc(S(=O)(=O)[O-])o2)c1[N+](=O)[O-]	ZINC000017214967	556242176	/nfs/dbraw/zinc/24/21/76/556242176.db2.gz	YFNWGOKSQBGLEX-ZWSORDCHSA-N	-2	0	489.400	1.018	40	30		JDEBRL