smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)S(=O)(=O)c1cc([O-])c2ccc3c(S(=O)(=O)N(C)C)cc(S(=O)(=O)N(C)C)c4ccc1c2c34	ZINC000002384878	552108024	/nfs/dbraw/zinc/10/80/24/552108024.db2.gz	IMRMTOQIIAICNM-UHFFFAOYSA-N	-1	1	539.657	2.041	50	5		KEBAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cc1	ZINC000003262265	552326801	/nfs/dbraw/zinc/32/68/01/552326801.db2.gz	BRRAVJNMLKWXEI-KGVSQERTSA-N	-1	1	578.556	2.377	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000009303041	553236475	/nfs/dbraw/zinc/23/64/75/553236475.db2.gz	WUVREEYJIDQABI-NBGIEHNGSA-N	-1	1	507.503	2.063	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1	ZINC000009303044	553236452	/nfs/dbraw/zinc/23/64/52/553236452.db2.gz	WUVREEYJIDQABI-CPJSRVTESA-N	-1	1	507.503	2.063	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000009429852	553260967	/nfs/dbraw/zinc/26/09/67/553260967.db2.gz	YYTLXAPXOGQRFR-HFZDXXHNSA-N	-1	1	521.530	2.106	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@@H]2C1	ZINC000009429853	553261004	/nfs/dbraw/zinc/26/10/04/553261004.db2.gz	YYTLXAPXOGQRFR-LVXARBLLSA-N	-1	1	521.530	2.106	50	5		KEBAMM
COc1cc(CN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc(OC)c1	ZINC000009446202	553265522	/nfs/dbraw/zinc/26/55/22/553265522.db2.gz	CVQFWTGDVCKCAV-PVZIDGIESA-N	-1	1	524.530	2.415	50	5		KEBAMM
COc1ccc(CCN2C(=O)[N-]C(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1	ZINC000009510762	553276235	/nfs/dbraw/zinc/27/62/35/553276235.db2.gz	AEPWCAQCZHVLSJ-ISGYKGCDSA-N	-1	1	508.531	2.449	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)[C@H]2C1	ZINC000016956740	553585021	/nfs/dbraw/zinc/58/50/21/553585021.db2.gz	YYTLXAPXOGQRFR-RLWLMLJZSA-N	-1	1	521.530	2.106	50	5		KEBAMM
COc1cccc(C(=O)NCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)c1	ZINC000032914447	553876056	/nfs/dbraw/zinc/87/60/56/553876056.db2.gz	NVKFFCPCGVNUHN-UHFFFAOYSA-N	-1	1	514.516	2.270	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1	ZINC000097957096	553844507	/nfs/dbraw/zinc/84/45/07/553844507.db2.gz	HXIOAKSCTMVCED-NEKDWFFYSA-N	-1	1	581.582	2.123	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@@H]2C1	ZINC000097957097	553844538	/nfs/dbraw/zinc/84/45/38/553844538.db2.gz	HXIOAKSCTMVCED-FIPFOOKPSA-N	-1	1	581.582	2.123	50	5		KEBAMM
COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(S(=O)(=O)Nc3cc(C(=O)OC)cc(C(=O)OC)c3)c2)cc(C(=O)OC)c1	ZINC000097990125	554028178	/nfs/dbraw/zinc/02/81/78/554028178.db2.gz	UJOIRWWLSIBWNR-UHFFFAOYSA-N	-1	1	665.611	2.343	50	5		KEBAMM
CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(CCc4ccc(OC)c(OC)c4)C3=O)[C@H]2C1	ZINC000102789088	555068535	/nfs/dbraw/zinc/06/85/35/555068535.db2.gz	HXIOAKSCTMVCED-LXFBAYGMSA-N	-1	1	581.582	2.123	50	5		KEBAMM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)cc1	ZINC000102929572	1066385936	/nfs/dbraw/zinc/38/59/36/1066385936.db2.gz	BRRAVJNMLKWXEI-BASWHVEKSA-N	-1	1	578.556	2.377	50	5		KEBAMM
CC(=O)OC[C@@H]1O[C@@H](Oc2cc([O-])cc(O)c2C(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000150663570	571528143	/nfs/dbraw/zinc/52/81/43/571528143.db2.gz	YRHOYFGQQGTDGO-DGKNVCCWSA-N	-1	1	633.559	2.283	50	5		KEBAMM
CC(=O)OC[C@H]1O[C@@H](Oc2cc([O-])cc(O)c2C(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000150663571	571528160	/nfs/dbraw/zinc/52/81/60/571528160.db2.gz	YRHOYFGQQGTDGO-YJWDFKAOSA-N	-1	1	633.559	2.283	50	5		KEBAMM
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229886979	572165178	/nfs/dbraw/zinc/16/51/78/572165178.db2.gz	BYDLIMPCSBQXDK-NVQXNPDNSA-N	-1	1	521.530	2.044	50	5		KEBAMM
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]32)C1=O	ZINC000229886984	572165291	/nfs/dbraw/zinc/16/52/91/572165291.db2.gz	BYDLIMPCSBQXDK-BKMJKUGQSA-N	-1	1	521.530	2.044	50	5		KEBAMM