smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969027	562696014	/nfs/dbraw/zinc/69/60/14/562696014.db2.gz	CIGVKJMTKHXIAR-SFHVURJKSA-N	-2	2	557.539	2.351	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969027	562696013	/nfs/dbraw/zinc/69/60/13/562696013.db2.gz	CIGVKJMTKHXIAR-SFHVURJKSA-N	-2	2	557.539	2.351	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969031	562695977	/nfs/dbraw/zinc/69/59/77/562695977.db2.gz	CIGVKJMTKHXIAR-GOSISDBHSA-N	-2	2	557.539	2.351	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)ccc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969031	562695976	/nfs/dbraw/zinc/69/59/76/562695976.db2.gz	CIGVKJMTKHXIAR-GOSISDBHSA-N	-2	2	557.539	2.351	1	5		KEBFLL
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969070	562695993	/nfs/dbraw/zinc/69/59/93/562695993.db2.gz	ZUNXPYBCAYDSID-KRWDZBQOSA-N	-2	2	561.502	2.100	1	5		KEBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969070	562695992	/nfs/dbraw/zinc/69/59/92/562695992.db2.gz	ZUNXPYBCAYDSID-KRWDZBQOSA-N	-2	2	561.502	2.100	1	5		KEBFLL
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969077	562696027	/nfs/dbraw/zinc/69/60/27/562696027.db2.gz	ZUNXPYBCAYDSID-QGZVFWFLSA-N	-2	2	561.502	2.100	1	5		KEBFLL
Nc1nc(=O)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969077	562696026	/nfs/dbraw/zinc/69/60/26/562696026.db2.gz	ZUNXPYBCAYDSID-QGZVFWFLSA-N	-2	2	561.502	2.100	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1	ZINC000052969374	562695982	/nfs/dbraw/zinc/69/59/82/562695982.db2.gz	ZUXDWFIWAFGQAO-INIZCTEOSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(N)[nH]1	ZINC000052969374	562695981	/nfs/dbraw/zinc/69/59/81/562695981.db2.gz	ZUXDWFIWAFGQAO-INIZCTEOSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(=O)[nH]1	ZINC000052969377	562696002	/nfs/dbraw/zinc/69/60/02/562696002.db2.gz	ZUXDWFIWAFGQAO-MRXNPFEDSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2ccc([N+](=O)[O-])c(F)c2F)c(N)[nH]1	ZINC000052969377	562696001	/nfs/dbraw/zinc/69/60/01/562696001.db2.gz	ZUXDWFIWAFGQAO-MRXNPFEDSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969449	562695996	/nfs/dbraw/zinc/69/59/96/562695996.db2.gz	BAERIOPUAFIERA-SFHVURJKSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969449	562695995	/nfs/dbraw/zinc/69/59/95/562695995.db2.gz	BAERIOPUAFIERA-SFHVURJKSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969456	562696030	/nfs/dbraw/zinc/69/60/30/562696030.db2.gz	BAERIOPUAFIERA-GOSISDBHSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c(F)cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969456	562696029	/nfs/dbraw/zinc/69/60/29/562696029.db2.gz	BAERIOPUAFIERA-GOSISDBHSA-N	-2	2	575.529	2.490	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969525	562696023	/nfs/dbraw/zinc/69/60/23/562696023.db2.gz	GGQWTPZEQWTCFO-KRWDZBQOSA-N	-2	2	602.536	2.259	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969525	562696022	/nfs/dbraw/zinc/69/60/22/562696022.db2.gz	GGQWTPZEQWTCFO-KRWDZBQOSA-N	-2	2	602.536	2.259	1	5		KEBFLL
Nc1nc(N)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000052969529	562696005	/nfs/dbraw/zinc/69/60/05/562696005.db2.gz	GGQWTPZEQWTCFO-QGZVFWFLSA-N	-2	2	602.536	2.259	1	5		KEBFLL
Nc1nc(=O)c(CCCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(N)[nH]1	ZINC000052969529	562696004	/nfs/dbraw/zinc/69/60/04/562696004.db2.gz	GGQWTPZEQWTCFO-QGZVFWFLSA-N	-2	2	602.536	2.259	1	5		KEBFLL
[NH3+][C@@H](CCC(=O)N[C@H](CSCc1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1)C(=O)NCC(=O)[O-])C(=O)[O-]	ZINC000084386225	562742912	/nfs/dbraw/zinc/74/29/12/562742912.db2.gz	LDNATPWUBRLWGH-XZOQPEGZSA-N	-2	2	651.650	2.080	1	5		KEBFLL
O=c1cccc2c(=O)c3c(c([O-])c1-2)c1c(=O)c2cccc([O-])c2c(=O)c1c1c(=O)c2cccc(O)c2c(=O)c31	ZINC000085974153	571792909	/nfs/dbraw/zinc/79/29/09/571792909.db2.gz	DNGCQXLPUZWYNB-UHFFFAOYSA-N	-2	2	516.417	2.197	1	5	endogenous,in-man	KEBFLL