smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O	ZINC000001530207	553977960	/nfs/dbraw/zinc/97/79/60/553977960.db2.gz	FQYGGFDZJFIDPU-YZYAEFBQSA-N	-1	0	464.511	0.497	50	0		JCAARM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(C)C)C(=O)[O-]	ZINC000001830534	194148045	/nfs/dbraw/zinc/14/80/45/194148045.db2.gz	KITUNTLZXUHISK-HNDDBXBDSA-N	-1	0	472.535	0.749	50	0		JCAARM
CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000001830535	194148026	/nfs/dbraw/zinc/14/80/26/194148026.db2.gz	KITUNTLZXUHISK-KVVCQVIGSA-N	-1	0	472.535	0.749	50	0		JCAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@H](C(=O)OC)C(C)C)CC3)nc21	ZINC000001848676	194149942	/nfs/dbraw/zinc/14/99/42/194149942.db2.gz	IRXHBEXEBUHLNO-HNNXBMFYSA-N	-1	0	476.559	0.704	50	0		JCAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@@H](C(=O)OC)C(C)C)CC3)nc21	ZINC000001848677	194149992	/nfs/dbraw/zinc/14/99/92/194149992.db2.gz	IRXHBEXEBUHLNO-OAHLLOKOSA-N	-1	0	476.559	0.704	50	0		JCAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])n(C)c(=O)n(C)c1=O)CC1(C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000002129464	554059526	/nfs/dbraw/zinc/05/95/26/554059526.db2.gz	RANMKZOIRJYIGZ-ZDUSSCGKSA-N	-1	0	486.481	0.437	50	0	biogenic	JCAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])n(C)c(=O)n(C)c1=O)CC1(C2)C(=O)N(C)C(=O)N(C)C1=O	ZINC000002129465	554059463	/nfs/dbraw/zinc/05/94/63/554059463.db2.gz	RANMKZOIRJYIGZ-CYBMUJFWSA-N	-1	0	486.481	0.437	50	0	biogenic	JCAARM
C[C@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000002131876	554060625	/nfs/dbraw/zinc/06/06/25/554060625.db2.gz	HVOXVMJQPASPIQ-NXXSPTCGSA-N	-1	0	450.451	0.905	50	0	biogenic	JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@@H]2SC1	ZINC000002151313	520815568	/nfs/dbraw/zinc/81/55/68/520815568.db2.gz	PZPZLYAELPRKDH-IGCXYCKISA-N	-1	0	459.484	0.221	50	0		JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@@H]2SC1	ZINC000002151316	554069861	/nfs/dbraw/zinc/06/98/61/554069861.db2.gz	PZPZLYAELPRKDH-DCGLDWPTSA-N	-1	0	459.484	0.221	50	0		JCAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4ccco4)CC3)nc21	ZINC000002252387	523350111	/nfs/dbraw/zinc/35/01/11/523350111.db2.gz	XZEZLQDBBMWCPT-UHFFFAOYSA-N	-1	0	456.484	0.940	50	0		JCAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)NC(=O)c4cccnc4)CC3)nc21	ZINC000002316721	554146112	/nfs/dbraw/zinc/14/61/12/554146112.db2.gz	JJOLMGHFOPKPAR-UHFFFAOYSA-N	-1	0	467.511	0.742	50	0		JCAARM
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000002423798	554199875	/nfs/dbraw/zinc/19/98/75/554199875.db2.gz	JBVYQRVULSHIBU-MAUKXSAKSA-N	-1	0	451.545	0.976	50	0		JCAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000002645904	554263571	/nfs/dbraw/zinc/26/35/71/554263571.db2.gz	GMWWCQNDOJAMKF-UHFFFAOYSA-N	-1	0	485.515	0.924	50	0		JCAARM
Cc1nn(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c(C)c1Cl	ZINC000002730959	554314992	/nfs/dbraw/zinc/31/49/92/554314992.db2.gz	IYFFUEZOLNOEIE-IUODEOHRSA-N	-1	0	498.978	0.208	50	0		JCAARM
Cc1nn(CC(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)c(C)c1Cl	ZINC000002730960	526267734	/nfs/dbraw/zinc/26/77/34/526267734.db2.gz	IYFFUEZOLNOEIE-SWLSCSKDSA-N	-1	0	498.978	0.208	50	0		JCAARM
Cc1nn(CC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)c(C)c1Cl	ZINC000002730961	554314955	/nfs/dbraw/zinc/31/49/55/554314955.db2.gz	IYFFUEZOLNOEIE-DOMZBBRYSA-N	-1	0	498.978	0.208	50	0		JCAARM
Cc1nn(CC(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)c(C)c1Cl	ZINC000002730962	554314946	/nfs/dbraw/zinc/31/49/46/554314946.db2.gz	IYFFUEZOLNOEIE-WFASDCNBSA-N	-1	0	498.978	0.208	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccn(C)n4)[C@@H]3SC2)s1	ZINC000002735508	554318760	/nfs/dbraw/zinc/31/87/60/554318760.db2.gz	KWPDSJUVTPCPTN-HZMBPMFUSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccn(C)n4)[C@H]3SC2)s1	ZINC000002735509	554318722	/nfs/dbraw/zinc/31/87/22/554318722.db2.gz	KWPDSJUVTPCPTN-IINYFYTJSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccn(C)n4)[C@@H]3SC2)s1	ZINC000002735510	526382800	/nfs/dbraw/zinc/38/28/00/526382800.db2.gz	KWPDSJUVTPCPTN-YGRLFVJLSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4ccn(C)n4)[C@H]3SC2)s1	ZINC000002735511	554318905	/nfs/dbraw/zinc/31/89/05/554318905.db2.gz	KWPDSJUVTPCPTN-QMTHXVAHSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cnn(C)c4)[C@@H]3SC2)s1	ZINC000002784103	554343161	/nfs/dbraw/zinc/34/31/61/554343161.db2.gz	FOSIKGJBSWWILV-HZMBPMFUSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cnn(C)c4)[C@H]3SC2)s1	ZINC000002784104	554343019	/nfs/dbraw/zinc/34/30/19/554343019.db2.gz	FOSIKGJBSWWILV-IINYFYTJSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4cnn(C)c4)[C@@H]3SC2)s1	ZINC000002784105	554343065	/nfs/dbraw/zinc/34/30/65/554343065.db2.gz	FOSIKGJBSWWILV-YGRLFVJLSA-N	-1	0	452.543	0.725	50	0		JCAARM
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4cnn(C)c4)[C@H]3SC2)s1	ZINC000002784106	526382763	/nfs/dbraw/zinc/38/27/63/526382763.db2.gz	FOSIKGJBSWWILV-QMTHXVAHSA-N	-1	0	452.543	0.725	50	0		JCAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)nc(OC)n1	ZINC000002803588	522756542	/nfs/dbraw/zinc/75/65/42/522756542.db2.gz	RIRDUCYTCQJZNS-UHFFFAOYSA-N	-1	0	499.571	0.905	50	0		JCAARM
NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccsc3c(=O)n2CC(=O)[O-])cc1	ZINC000002932274	194173713	/nfs/dbraw/zinc/17/37/13/194173713.db2.gz	UIWXWXRPOXVOCC-UHFFFAOYSA-N	-1	0	482.565	0.641	50	0		JCAARM
COCCn1c(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2[n-]c1=S	ZINC000003051908	554424506	/nfs/dbraw/zinc/42/45/06/554424506.db2.gz	QPIYMSXKACNHIM-UHFFFAOYSA-N	-1	0	462.553	0.952	50	0		JCAARM
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)N[N-]S(=O)(=O)c1ccccc1	ZINC000003275438	194260043	/nfs/dbraw/zinc/26/00/43/194260043.db2.gz	ZMWJSHJWRWMZJV-UHFFFAOYSA-N	-1	0	498.608	0.514	50	0		JCAARM
CCNC(=O)NC(=O)[C@@H](C)OC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br	ZINC000003381291	194309546	/nfs/dbraw/zinc/30/95/46/194309546.db2.gz	VYWJSBCNWOTBQJ-SSDOTTSWSA-N	-1	0	472.264	0.783	50	0		JCAARM
CCNC(=O)NC(=O)[C@H](C)OC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br	ZINC000003381293	194309555	/nfs/dbraw/zinc/30/95/55/194309555.db2.gz	VYWJSBCNWOTBQJ-ZETCQYMHSA-N	-1	0	472.264	0.783	50	0		JCAARM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000003830261	194361846	/nfs/dbraw/zinc/36/18/46/194361846.db2.gz	JTWOMNBEOCYFNV-NFFDBFGFSA-N	-1	0	461.500	0.094	50	0	world	JCAARM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000003830262	194362017	/nfs/dbraw/zinc/36/20/17/194362017.db2.gz	JTWOMNBEOCYFNV-BRXULGCHSA-N	-1	0	461.500	0.094	50	0	in-man	JCAARM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(S[C@@H]3C[NH2+][C@H](C(=O)Nc4cccc(C(=O)[O-])c4)C3)[C@H](C)[C@H]12	ZINC000003918453	194366695	/nfs/dbraw/zinc/36/66/95/194366695.db2.gz	JUZNIMUFDBIJCM-ANEDZVCMSA-N	-1	0	475.523	0.941	50	0	fda	JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@H]2SC1	ZINC000004066578	194374600	/nfs/dbraw/zinc/37/46/00/194374600.db2.gz	PZPZLYAELPRKDH-PBFPGSCMSA-N	-1	0	459.484	0.221	50	0	biogenic	JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@H]2SC1	ZINC000004066580	194374579	/nfs/dbraw/zinc/37/45/79/194374579.db2.gz	PZPZLYAELPRKDH-IIYDPXPESA-N	-1	0	459.484	0.221	50	0		JCAARM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(=O)[O-]	ZINC000004097284	194377110	/nfs/dbraw/zinc/37/71/10/194377110.db2.gz	JTWOMNBEOCYFNV-RSUWNVLCSA-N	-1	0	461.500	0.094	50	0	world	JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)cc1	ZINC000004301593	525587389	/nfs/dbraw/zinc/58/73/89/525587389.db2.gz	JBVYQRVULSHIBU-QAPCUYQASA-N	-1	0	451.545	0.976	50	0		JCAARM
CSCC[C@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004544540	554478415	/nfs/dbraw/zinc/47/84/15/554478415.db2.gz	BSSXRCLBQLQBOD-ULQDDVLXSA-N	-1	0	455.602	0.904	50	0		JCAARM
CSCC[C@@H](NC=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004544542	525555121	/nfs/dbraw/zinc/55/51/21/525555121.db2.gz	BSSXRCLBQLQBOD-IKGGRYGDSA-N	-1	0	455.602	0.904	50	0		JCAARM
CSCC[C@H](NC=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004544544	525595103	/nfs/dbraw/zinc/59/51/03/525595103.db2.gz	BSSXRCLBQLQBOD-YESZJQIVSA-N	-1	0	455.602	0.904	50	0		JCAARM
CSCC[C@@H](NC=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000004544546	525555384	/nfs/dbraw/zinc/55/53/84/525555384.db2.gz	BSSXRCLBQLQBOD-IXDOHACOSA-N	-1	0	455.602	0.904	50	0		JCAARM
CC(C)C[C@H](NC(=O)/C=C/c1ccco1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-]	ZINC000004544651	519382127	/nfs/dbraw/zinc/38/21/27/519382127.db2.gz	ZLFQNOJSYZSINX-PVJKAEHXSA-N	-1	0	476.530	0.520	50	0	in-vitro	JCAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)nc(OC)n1	ZINC000005345146	554488658	/nfs/dbraw/zinc/48/86/58/554488658.db2.gz	ZOXCVCBOAIVNFM-UHFFFAOYSA-N	-1	0	476.471	0.641	50	0		JCAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)n1	ZINC000006199019	524590350	/nfs/dbraw/zinc/59/03/50/524590350.db2.gz	YALXKWHXJCLRHH-UHFFFAOYSA-N	-1	0	498.525	0.280	50	0		JCAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)c1C	ZINC000006199020	526641525	/nfs/dbraw/zinc/64/15/25/526641525.db2.gz	GKMGHKSMZJGFRT-UHFFFAOYSA-N	-1	0	487.498	0.478	50	0		JCAARM
Cn1c2ncn(CC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)c2c(=O)n(C)c1=O	ZINC000006199021	527124856	/nfs/dbraw/zinc/12/48/56/527124856.db2.gz	ZUKFVVPVHVHTCR-UHFFFAOYSA-N	-1	0	475.512	0.330	50	0		JCAARM
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N3CCC[C@H]3C(=O)[O-])CC2)cc1	ZINC000006498830	554546897	/nfs/dbraw/zinc/54/68/97/554546897.db2.gz	JBVYQRVULSHIBU-YJBOKZPZSA-N	-1	0	451.545	0.976	50	0		JCAARM
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O	ZINC000008219992	574412818	/nfs/dbraw/zinc/41/28/18/574412818.db2.gz	FQYGGFDZJFIDPU-JRSYHJKYSA-N	-1	0	464.511	0.497	50	0	endogenous,world	JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(C(=O)N3CCC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000008619722	525586972	/nfs/dbraw/zinc/58/69/72/525586972.db2.gz	JBVYQRVULSHIBU-CRAIPNDOSA-N	-1	0	451.545	0.976	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Br)c(C)n3)[C@H]2SC1	ZINC000008715727	569596454	/nfs/dbraw/zinc/59/64/54/569596454.db2.gz	JAZFJYBKBDRDDW-YYDSMBMDSA-N	-1	0	487.332	0.817	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Br)c(C)n3)[C@H]2SC1	ZINC000008715728	569596356	/nfs/dbraw/zinc/59/63/56/569596356.db2.gz	JAZFJYBKBDRDDW-JIYNIHLBSA-N	-1	0	487.332	0.817	50	0		JCAARM
CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000008739978	518797442	/nfs/dbraw/zinc/79/74/42/518797442.db2.gz	AVDPHNNOSOYOHH-GJZGRUSLSA-N	-1	0	451.476	0.848	50	0	biogenic	JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@H]2SC1	ZINC000008762298	520815102	/nfs/dbraw/zinc/81/51/02/520815102.db2.gz	PZPZLYAELPRKDH-OGHNNQOOSA-N	-1	0	459.484	0.221	50	0	biogenic	JCAARM
CC(C)[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O	ZINC000008788798	554680734	/nfs/dbraw/zinc/68/07/34/554680734.db2.gz	URUIEQUZIRSXKL-YGJVYZRNSA-N	-1	0	469.498	0.673	50	0	biogenic	JCAARM
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)[O-])C(=O)[C@]31C	ZINC000008789551	554682152	/nfs/dbraw/zinc/68/21/52/554682152.db2.gz	HMPXPOHRBJAGJQ-FUOTYCJSSA-N	-1	0	471.470	0.045	50	0	biogenic	JCAARM
Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1=O	ZINC000008790151	554683258	/nfs/dbraw/zinc/68/32/58/554683258.db2.gz	LFXPOAJLVWPEAS-WMZOPIPTSA-N	-1	0	452.467	0.319	50	0	biogenic	JCAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)NCC(=O)[O-])c(=O)oc2c1C	ZINC000008790482	525497784	/nfs/dbraw/zinc/49/77/84/525497784.db2.gz	MQKSYJSEDVSHRF-INIZCTEOSA-N	-1	0	490.513	0.485	50	0	biogenic	JCAARM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000008791386	554684421	/nfs/dbraw/zinc/68/44/21/554684421.db2.gz	TYNZHTWVPXSMLI-FJBKBRRZSA-N	-1	0	468.551	0.753	50	0		JCAARM
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000008791630	524901257	/nfs/dbraw/zinc/90/12/57/524901257.db2.gz	VFQVKZJYLTZUFI-RDJZCZTQSA-N	-1	0	490.557	0.905	50	0	biogenic	JCAARM
C[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000008791676	554684903	/nfs/dbraw/zinc/68/49/03/554684903.db2.gz	VFQVKZJYLTZUFI-DOTOQJQBSA-N	-1	0	490.557	0.905	50	0	biogenic	JCAARM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008791788	554685172	/nfs/dbraw/zinc/68/51/72/554685172.db2.gz	KLACSBOZUSYUMW-HOTGVXAUSA-N	-1	0	464.544	0.543	50	0	biogenic	JCAARM
NC(=O)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876213	526907559	/nfs/dbraw/zinc/90/75/59/526907559.db2.gz	PWLQAWARDCIIRY-ZWKOTPCHSA-N	-1	0	463.450	0.400	50	0	biogenic	JCAARM
NC(=O)CC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876392	526875241	/nfs/dbraw/zinc/87/52/41/526875241.db2.gz	JOMMSJXUXGJPOT-RTBURBONSA-N	-1	0	477.477	0.790	50	0	biogenic	JCAARM
NC(=O)CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876424	526876297	/nfs/dbraw/zinc/87/62/97/526876297.db2.gz	JOMMSJXUXGJPOT-RBUKOAKNSA-N	-1	0	477.477	0.790	50	0	biogenic	JCAARM
Cn1c(N)c(C(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c(=O)n(C)c1=O	ZINC000008883290	554778004	/nfs/dbraw/zinc/77/80/04/554778004.db2.gz	RSLMRZLAYOHBLP-UHFFFAOYSA-N	-1	0	467.360	0.616	50	0		JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N3C[C@H](O)C[C@H]3C(=O)[O-])CC2)C(C)C)cc1	ZINC000008918104	554814009	/nfs/dbraw/zinc/81/40/09/554814009.db2.gz	NWSXUDXRYFZJEP-HOJAQTOUSA-N	-1	0	495.598	0.583	50	0	biogenic	JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N3C[C@@H](O)C[C@H]3C(=O)[O-])CC2)C(C)C)cc1	ZINC000008918105	554814021	/nfs/dbraw/zinc/81/40/21/554814021.db2.gz	NWSXUDXRYFZJEP-IHPCNDPISA-N	-1	0	495.598	0.583	50	0	biogenic	JCAARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC2)cc1	ZINC000008918117	554814156	/nfs/dbraw/zinc/81/41/56/554814156.db2.gz	HQGBPGSGOKBHKG-VDGAXYAQSA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000008918160	554814174	/nfs/dbraw/zinc/81/41/74/554814174.db2.gz	XGWVNPFQLWWDGY-GUYCJALGSA-N	-1	0	456.540	0.481	50	0	biogenic	JCAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000008918229	519387777	/nfs/dbraw/zinc/38/77/77/519387777.db2.gz	GBLJEXYDOFZLFJ-HNNXBMFYSA-N	-1	0	456.540	0.481	50	0	biogenic	JCAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000008918304	554814585	/nfs/dbraw/zinc/81/45/85/554814585.db2.gz	RMVJOURLGRAWJE-GJZGRUSLSA-N	-1	0	456.540	0.609	50	0	biogenic	JCAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000008918327	554814777	/nfs/dbraw/zinc/81/47/77/554814777.db2.gz	WTLDHYSXJIRVBI-QEJZJMRPSA-N	-1	0	461.581	0.822	50	0	biogenic	JCAARM
CSC[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)CC1)C(=O)[O-]	ZINC000008918393	554814774	/nfs/dbraw/zinc/81/47/74/554814774.db2.gz	UTCMQVCJZCUJMO-YOEHRIQHSA-N	-1	0	471.601	0.833	50	0	biogenic	JCAARM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000008918415	521981853	/nfs/dbraw/zinc/98/18/53/521981853.db2.gz	HHQQZURKHPFOIC-FVCZOJIISA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
Cn1c2nc(N3CCN(C(=O)CCC(=O)[O-])CC3)n(CCc3ccccc3)c2c(=O)[nH]c1=O	ZINC000008926314	554822780	/nfs/dbraw/zinc/82/27/80/554822780.db2.gz	QACDLQPVYSHJLB-UHFFFAOYSA-N	-1	0	454.487	0.179	50	0		JCAARM
CSCC[C@@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000008995893	194500800	/nfs/dbraw/zinc/50/08/00/194500800.db2.gz	LRJPMJWJATWOEW-JTTJXQCZSA-N	-1	0	490.582	0.935	50	0		JCAARM
NC(=O)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009012435	554864841	/nfs/dbraw/zinc/86/48/41/554864841.db2.gz	PWLQAWARDCIIRY-MSOLQXFVSA-N	-1	0	463.450	0.812	50	0	biogenic	JCAARM
CC(C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(C)C)C(=O)[O-]	ZINC000009033646	194507623	/nfs/dbraw/zinc/50/76/23/194507623.db2.gz	KITUNTLZXUHISK-KCBZBRIFSA-N	-1	0	472.535	0.749	50	0	biogenic	JCAARM
NC(=O)NCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009043173	554869558	/nfs/dbraw/zinc/86/95/58/554869558.db2.gz	KLWBFPKFLJJMDB-ZWKOTPCHSA-N	-1	0	467.482	0.904	50	0	biogenic	JCAARM
NC(=O)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000009044531	554870074	/nfs/dbraw/zinc/87/00/74/554870074.db2.gz	DRICVSCFQUHFOU-HOTGVXAUSA-N	-1	0	453.455	0.860	50	0	biogenic	JCAARM
Cn1cc(S(=O)(=O)NCc2nnc3c(C(F)(F)F)cc(Cl)cn23)c(=O)n(C)c1=O	ZINC000009046000	554870230	/nfs/dbraw/zinc/87/02/30/554870230.db2.gz	QRVSPHYFTUOCIB-UHFFFAOYSA-N	-1	0	452.802	0.277	50	0		JCAARM
CSCC[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000009065316	554885250	/nfs/dbraw/zinc/88/52/50/554885250.db2.gz	SANMFNWDQPDEKK-HOCLYGCPSA-N	-1	0	450.517	0.565	50	0	biogenic	JCAARM
NC(=O)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009087216	554889314	/nfs/dbraw/zinc/88/93/14/554889314.db2.gz	KLWBFPKFLJJMDB-ROUUACIJSA-N	-1	0	467.482	0.904	50	0	biogenic	JCAARM
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009109077	554897547	/nfs/dbraw/zinc/89/75/47/554897547.db2.gz	LTBXUHDCVKELTQ-DEYYWGMASA-N	-1	0	452.467	0.568	50	0	biogenic	JCAARM
C[C@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009126868	554921276	/nfs/dbraw/zinc/92/12/76/554921276.db2.gz	AZEXNOLDLSBURH-NSHDSACASA-N	-1	0	492.535	0.957	50	0		JCAARM
C[C@@H](OC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009126869	554921294	/nfs/dbraw/zinc/92/12/94/554921294.db2.gz	AZEXNOLDLSBURH-LLVKDONJSA-N	-1	0	492.535	0.957	50	0		JCAARM
O=C(CN1[N-]S(=O)(=O)c2ccccc2C1=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009128232	194555946	/nfs/dbraw/zinc/55/59/46/194555946.db2.gz	BIQZKLUUNVGQKN-UHFFFAOYSA-N	-1	0	464.525	0.759	50	0		JCAARM
CC(C)[C@@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000009129014	194557747	/nfs/dbraw/zinc/55/77/47/194557747.db2.gz	MBWQHVNKKHCBIC-JFIBYHEFSA-N	-1	0	458.515	0.838	50	0		JCAARM
O=C([O-])C1CCN(C(=O)C2CCC(CNC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1	ZINC000009129312	554927364	/nfs/dbraw/zinc/92/73/64/554927364.db2.gz	QNCNJDILVHRESB-UHFFFAOYSA-N	-1	0	470.526	0.936	50	0		JCAARM
Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)c(=O)n2C	ZINC000009157130	554946766	/nfs/dbraw/zinc/94/67/66/554946766.db2.gz	HBGGTRLMDJGQOB-UHFFFAOYSA-N	-1	0	475.512	0.330	50	0		JCAARM
CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)[N-]C(=O)NC1=O	ZINC000009216082	554984174	/nfs/dbraw/zinc/98/41/74/554984174.db2.gz	BQHCQAZSVVENAT-INIZCTEOSA-N	-1	0	494.508	0.690	50	0		JCAARM
CCC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)[N-]C(=O)NC1=O	ZINC000009216084	554984208	/nfs/dbraw/zinc/98/42/08/554984208.db2.gz	BQHCQAZSVVENAT-MRXNPFEDSA-N	-1	0	494.508	0.690	50	0		JCAARM
COC(=O)[C@@H](NC(=O)[N-]S(=O)(=O)c1ccc(CN2C(=O)N[C@@H](C(C)C)C2=O)cc1)C(C)C	ZINC000009235592	555009445	/nfs/dbraw/zinc/00/94/45/555009445.db2.gz	ZGOMJDFCMUUEFC-HOTGVXAUSA-N	-1	0	468.532	0.949	50	0		JCAARM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(C)C)C(=O)[O-]	ZINC000009301836	555074976	/nfs/dbraw/zinc/07/49/76/555074976.db2.gz	KITUNTLZXUHISK-ZSASEUKTSA-N	-1	0	472.535	0.749	50	0	biogenic	JCAARM
CC(C)[C@@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000009301837	555075012	/nfs/dbraw/zinc/07/50/12/555075012.db2.gz	KITUNTLZXUHISK-MVPIMJPHSA-N	-1	0	472.535	0.749	50	0	biogenic	JCAARM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000009302073	555074987	/nfs/dbraw/zinc/07/49/87/555074987.db2.gz	NWGIHZVDHMHWDF-KZNAEPCWSA-N	-1	0	453.400	0.682	50	0	biogenic	JCAARM
NC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009348487	555114672	/nfs/dbraw/zinc/11/46/72/555114672.db2.gz	JOMMSJXUXGJPOT-OALUTQOASA-N	-1	0	477.477	0.790	50	0	biogenic	JCAARM
CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@H]1CCCN21)=C1C(=O)[N-]C(=O)NC1=O	ZINC000009348491	555114683	/nfs/dbraw/zinc/11/46/83/555114683.db2.gz	BDXXFLOETZVOLV-OAHLLOKOSA-N	-1	0	480.481	0.300	50	0		JCAARM
CC(Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)[C@@H]1CCCN21)=C1C(=O)[N-]C(=O)NC1=O	ZINC000009348494	555114706	/nfs/dbraw/zinc/11/47/06/555114706.db2.gz	BDXXFLOETZVOLV-HNNXBMFYSA-N	-1	0	480.481	0.300	50	0		JCAARM
C[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12)n1cc(Cl)cn1	ZINC000009355862	555120475	/nfs/dbraw/zinc/12/04/75/555120475.db2.gz	SRFXZBVHYQPYLN-LJXOEOAUSA-N	-1	0	484.951	0.152	50	0		JCAARM
C[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@H]12)n1cc(Cl)cn1	ZINC000009355863	555120464	/nfs/dbraw/zinc/12/04/64/555120464.db2.gz	SRFXZBVHYQPYLN-KZJPANMKSA-N	-1	0	484.951	0.152	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cccc(F)c3)[C@H]2SC1	ZINC000009355864	555120432	/nfs/dbraw/zinc/12/04/32/555120432.db2.gz	KKJSIRIPNAPYDN-IAQYHMDHSA-N	-1	0	450.477	0.494	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cccc(F)c3)[C@@H]2SC1	ZINC000009355865	555120501	/nfs/dbraw/zinc/12/05/01/555120501.db2.gz	KKJSIRIPNAPYDN-NHYWBVRUSA-N	-1	0	450.477	0.494	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccccc3)[C@H]2SC1	ZINC000009355870	555120421	/nfs/dbraw/zinc/12/04/21/555120421.db2.gz	QFJCOLLCUPTBTA-ZUMXRPEOSA-N	-1	0	472.552	0.845	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]3C[C@@H]3c3ccccc3)[C@@H]2SC1	ZINC000009355871	194710638	/nfs/dbraw/zinc/71/06/38/194710638.db2.gz	QFJCOLLCUPTBTA-ZXTQRBJTSA-N	-1	0	472.552	0.845	50	0		JCAARM
C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)NCC(=O)[O-]	ZINC000009356742	555121833	/nfs/dbraw/zinc/12/18/33/555121833.db2.gz	BUWYQOJXFJIGEQ-DJJJIMSYSA-N	-1	0	477.477	0.660	50	0	biogenic	JCAARM
NC(=O)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009360717	555123641	/nfs/dbraw/zinc/12/36/41/555123641.db2.gz	PWLQAWARDCIIRY-ROUUACIJSA-N	-1	0	463.450	0.400	50	0	biogenic	JCAARM
Cn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(=O)n(C)c1=O	ZINC000009376349	555137248	/nfs/dbraw/zinc/13/72/48/555137248.db2.gz	FTIXEUIZMOVLFA-UHFFFAOYSA-N	-1	0	450.498	0.686	50	0		JCAARM
Cn1c2ncn(CCCC(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c2c(=O)n(C)c1=O	ZINC000009416032	555183600	/nfs/dbraw/zinc/18/36/00/555183600.db2.gz	NVTZJLPRONRNBU-UHFFFAOYSA-N	-1	0	498.525	0.443	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)cc3C3CC3)[C@H]2SC1	ZINC000009431487	555200452	/nfs/dbraw/zinc/20/04/52/555200452.db2.gz	YCPWHETUDKVPEF-RDTXWAMCSA-N	-1	0	470.454	1.000	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)cc3C3CC3)[C@@H]2SC1	ZINC000009431489	555200412	/nfs/dbraw/zinc/20/04/12/555200412.db2.gz	YCPWHETUDKVPEF-KDOFPFPSSA-N	-1	0	470.454	1.000	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)cc3C3CC3)[C@H]2SC1	ZINC000009431491	555200464	/nfs/dbraw/zinc/20/04/64/555200464.db2.gz	YCPWHETUDKVPEF-KBXCAEBGSA-N	-1	0	470.454	1.000	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)cc3C3CC3)[C@@H]2SC1	ZINC000009431492	555200459	/nfs/dbraw/zinc/20/04/59/555200459.db2.gz	YCPWHETUDKVPEF-KSSFIOAISA-N	-1	0	470.454	1.000	50	0		JCAARM
Cc1nn([C@H](C)C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1Cl	ZINC000009431508	555200443	/nfs/dbraw/zinc/20/04/43/555200443.db2.gz	FTBJSGFGEYXEHS-OTDPEBBPSA-N	-1	0	498.978	0.460	50	0		JCAARM
Cc1nn([C@H](C)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@H]23)cc1Cl	ZINC000009431512	555200414	/nfs/dbraw/zinc/20/04/14/555200414.db2.gz	FTBJSGFGEYXEHS-BGFNQPPGSA-N	-1	0	498.978	0.460	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3cc(Br)c(C)n3)[C@H]2SC1	ZINC000009431532	555200609	/nfs/dbraw/zinc/20/06/09/555200609.db2.gz	KAMWTXFZBCUMPX-SWLSCSKDSA-N	-1	0	473.305	0.256	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3cc(Br)c(C)n3)[C@H]2SC1	ZINC000009431533	555200589	/nfs/dbraw/zinc/20/05/89/555200589.db2.gz	KAMWTXFZBCUMPX-IUODEOHRSA-N	-1	0	473.305	0.256	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3cc(Br)c(C)n3)[C@@H]2SC1	ZINC000009431535	194776471	/nfs/dbraw/zinc/77/64/71/194776471.db2.gz	KAMWTXFZBCUMPX-WFASDCNBSA-N	-1	0	473.305	0.256	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3cc(Br)c(C)n3)[C@@H]2SC1	ZINC000009431537	555200591	/nfs/dbraw/zinc/20/05/91/555200591.db2.gz	KAMWTXFZBCUMPX-DOMZBBRYSA-N	-1	0	473.305	0.256	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Br)cn3)[C@H]2SC1	ZINC000009431556	194776501	/nfs/dbraw/zinc/77/65/01/194776501.db2.gz	RCTXJSDDXBBPBK-JFXJWUOYSA-N	-1	0	473.305	0.508	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Br)cn3)[C@H]2SC1	ZINC000009431558	555200603	/nfs/dbraw/zinc/20/06/03/555200603.db2.gz	RCTXJSDDXBBPBK-QRPAFPMESA-N	-1	0	473.305	0.508	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3cccc(F)c3)[C@@H]2SC1	ZINC000009431582	555200626	/nfs/dbraw/zinc/20/06/26/555200626.db2.gz	KKJSIRIPNAPYDN-ABAIWWIYSA-N	-1	0	450.477	0.494	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cccc(F)c3)[C@H]2SC1	ZINC000009431585	555200576	/nfs/dbraw/zinc/20/05/76/555200576.db2.gz	KKJSIRIPNAPYDN-XHDPSFHLSA-N	-1	0	450.477	0.494	50	0		JCAARM
NC(=O)c1nn(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(=O)c2ccccc21	ZINC000009467958	555246155	/nfs/dbraw/zinc/24/61/55/555246155.db2.gz	FFMIARFRZDMQMX-UHFFFAOYSA-N	-1	0	479.478	0.725	50	0		JCAARM
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009468888	555249619	/nfs/dbraw/zinc/24/96/19/555249619.db2.gz	RPDWUPFPYVUOEU-NSHDSACASA-N	-1	0	492.535	0.957	50	0		JCAARM
C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	ZINC000009468891	555249746	/nfs/dbraw/zinc/24/97/46/555249746.db2.gz	RPDWUPFPYVUOEU-LLVKDONJSA-N	-1	0	492.535	0.957	50	0		JCAARM
O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000009477427	555258114	/nfs/dbraw/zinc/25/81/14/555258114.db2.gz	ZDWUBPAOIAYMPT-UHFFFAOYSA-N	-1	0	450.502	0.484	50	0		JCAARM
CC(=O)N1CCN2c3ccc(NC(=O)CCC(=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	ZINC000009488144	519593791	/nfs/dbraw/zinc/59/37/91/519593791.db2.gz	BOUTZDAYJSGFDC-KRWDZBQOSA-N	-1	0	485.497	0.120	50	0		JCAARM
CC(=O)N1CCN2c3ccc(NC(=O)CCC(=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	ZINC000009488146	519594116	/nfs/dbraw/zinc/59/41/16/519594116.db2.gz	BOUTZDAYJSGFDC-QGZVFWFLSA-N	-1	0	485.497	0.120	50	0		JCAARM
O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)OCCO2	ZINC000009493344	555275092	/nfs/dbraw/zinc/27/50/92/555275092.db2.gz	AFLCZEQIFAPQSV-UHFFFAOYSA-N	-1	0	456.498	0.985	50	0		JCAARM
COC(=O)c1sc(S(=O)(=O)[N-]CC(=O)OCC(=O)NCC(F)(F)F)c(C(=O)OC)c1C	ZINC000009545932	555339298	/nfs/dbraw/zinc/33/92/98/555339298.db2.gz	WHXMOULWEKSEBZ-UHFFFAOYSA-N	-1	0	490.434	0.130	50	0		JCAARM
CCOC(=O)N1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)CC1	ZINC000009599484	555419546	/nfs/dbraw/zinc/41/95/46/555419546.db2.gz	XYCOKPKFUSTNLT-UHFFFAOYSA-N	-1	0	450.477	0.590	50	0		JCAARM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1	ZINC000009613108	194819276	/nfs/dbraw/zinc/81/92/76/194819276.db2.gz	RIBLZOXSNOQZTG-OAHLLOKOSA-N	-1	0	477.495	0.378	50	0		JCAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(N)cc(=O)[nH]3)cc2)nc(OC)n1	ZINC000009682942	555410685	/nfs/dbraw/zinc/41/06/85/555410685.db2.gz	CIPVKRFEWJRFLT-UHFFFAOYSA-N	-1	0	493.527	0.691	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C)c(Cl)c3C)[C@H]2SC1	ZINC000009974930	555580757	/nfs/dbraw/zinc/58/07/57/555580757.db2.gz	RTYDKGGTXYASFR-WMLDXEAASA-N	-1	0	456.908	0.845	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C)c(Cl)c3C)[C@H]2SC1	ZINC000009974931	555580709	/nfs/dbraw/zinc/58/07/09/555580709.db2.gz	RTYDKGGTXYASFR-RHSMWYFYSA-N	-1	0	456.908	0.845	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C)c(Cl)c3C)[C@@H]2SC1	ZINC000009974932	555580819	/nfs/dbraw/zinc/58/08/19/555580819.db2.gz	RTYDKGGTXYASFR-YOEHRIQHSA-N	-1	0	456.908	0.845	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C)c(Cl)c3C)[C@@H]2SC1	ZINC000009974933	555580778	/nfs/dbraw/zinc/58/07/78/555580778.db2.gz	RTYDKGGTXYASFR-PBHICJAKSA-N	-1	0	456.908	0.845	50	0		JCAARM
CN(C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O	ZINC000009994364	555588445	/nfs/dbraw/zinc/58/84/45/555588445.db2.gz	BCHLYRSZIPWJHK-UHFFFAOYSA-N	-1	0	476.449	0.238	50	0		JCAARM
COc1cc([C@@H]2NC(=O)N[C@@H](c3ccc(O)c(OC)c3)C23C(=O)[N-]C(=O)NC3=O)ccc1O	ZINC000010013986	555595282	/nfs/dbraw/zinc/59/52/82/555595282.db2.gz	ABNWIDLOWBLPEZ-HOTGVXAUSA-N	-1	0	456.411	0.563	50	0		JCAARM
COc1cc([C@H]2NC(=O)N[C@H](c3ccc(O)c(OC)c3)C23C(=O)[N-]C(=O)NC3=O)ccc1O	ZINC000010013987	555595328	/nfs/dbraw/zinc/59/53/28/555595328.db2.gz	ABNWIDLOWBLPEZ-HZPDHXFCSA-N	-1	0	456.411	0.563	50	0		JCAARM
Cn1c(=O)c(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c(N)n(Cc2ccccc2)c1=O	ZINC000010265567	555664790	/nfs/dbraw/zinc/66/47/90/555664790.db2.gz	BFQHKULWLASTDM-UHFFFAOYSA-N	-1	0	486.506	0.589	50	0		JCAARM
Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000010272104	555665684	/nfs/dbraw/zinc/66/56/84/555665684.db2.gz	AUECGHXCCHTQHQ-WMZOPIPTSA-N	-1	0	479.493	0.971	50	0		JCAARM
Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(C[C@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000010272105	555665609	/nfs/dbraw/zinc/66/56/09/555665609.db2.gz	AUECGHXCCHTQHQ-FUHWJXTLSA-N	-1	0	479.493	0.971	50	0		JCAARM
Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000010272106	555665654	/nfs/dbraw/zinc/66/56/54/555665654.db2.gz	AUECGHXCCHTQHQ-AEFFLSMTSA-N	-1	0	479.493	0.971	50	0		JCAARM
Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(C[C@@H](O)COc3ccccc3)c2c(=O)[nH]c1=O	ZINC000010272107	555665673	/nfs/dbraw/zinc/66/56/73/555665673.db2.gz	AUECGHXCCHTQHQ-SJLPKXTDSA-N	-1	0	479.493	0.971	50	0		JCAARM
COc1ccc(OC[C@@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000010385461	555703379	/nfs/dbraw/zinc/70/33/79/555703379.db2.gz	OUELKKGRUYADDF-NSHDSACASA-N	-1	0	450.473	0.059	50	0		JCAARM
COc1ccc(OC[C@H](O)Cn2c(SCC(=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	ZINC000010385464	555703334	/nfs/dbraw/zinc/70/33/34/555703334.db2.gz	OUELKKGRUYADDF-LLVKDONJSA-N	-1	0	450.473	0.059	50	0		JCAARM
Cn1cccc1C(=O)NC(=O)COC(=O)C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br	ZINC000011437575	555780169	/nfs/dbraw/zinc/78/01/69/555780169.db2.gz	NTSROPLISSGVTF-UHFFFAOYSA-N	-1	0	494.270	0.844	50	0		JCAARM
O=C(C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br)OCC(=O)N1CCCC1=O	ZINC000011437738	555780250	/nfs/dbraw/zinc/78/02/50/555780250.db2.gz	DLFAHOJIZLYPLW-UHFFFAOYSA-N	-1	0	455.233	0.698	50	0		JCAARM
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-]	ZINC000011616761	555791888	/nfs/dbraw/zinc/79/18/88/555791888.db2.gz	JTWOMNBEOCYFNV-VPWBDBDCSA-N	-1	0	461.500	0.094	50	0		JCAARM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc([N+](=O)[O-])c4C[C@H]3C[C@@H]12	ZINC000011616915	555791865	/nfs/dbraw/zinc/79/18/65/555791865.db2.gz	PHMPSHIUYYLXKR-FWUAKHQDSA-N	-1	0	459.411	0.029	50	0		JCAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000011858366	555838099	/nfs/dbraw/zinc/83/80/99/555838099.db2.gz	JVFGVYOIXBBYON-UHFFFAOYSA-N	-1	0	475.526	0.210	50	0		JCAARM
CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2C(=O)[O-])[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000011859758	555839167	/nfs/dbraw/zinc/83/91/67/555839167.db2.gz	FAHIAWRPNJBFDP-GQUPQBGVSA-N	-1	0	468.411	0.847	50	0	in-vitro	JCAARM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)s1	ZINC000012364475	555959504	/nfs/dbraw/zinc/95/95/04/555959504.db2.gz	LXHLGKRZGPKBAW-LBPRGKRZSA-N	-1	0	456.428	0.528	50	0		JCAARM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@]2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)s1	ZINC000012364477	555959550	/nfs/dbraw/zinc/95/95/50/555959550.db2.gz	LXHLGKRZGPKBAW-GFCCVEGCSA-N	-1	0	456.428	0.528	50	0		JCAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(-n3c(=O)n4n(c3=O)CCC4)cc1)OCO2	ZINC000012364703	555959571	/nfs/dbraw/zinc/95/95/71/555959571.db2.gz	FVMSENRMSZXDKE-UHFFFAOYSA-N	-1	0	458.452	0.937	50	0		JCAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c2=O	ZINC000012415791	555977164	/nfs/dbraw/zinc/97/71/64/555977164.db2.gz	LYHSADKTCHDGIR-UHFFFAOYSA-N	-1	0	476.536	0.852	50	0		JCAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4n(N)cnn34)cc2)n1	ZINC000012446225	524593034	/nfs/dbraw/zinc/59/30/34/524593034.db2.gz	NBVNVHGAYPXONF-UHFFFAOYSA-N	-1	0	474.532	0.578	50	0		JCAARM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)cc1	ZINC000012529064	555998117	/nfs/dbraw/zinc/99/81/17/555998117.db2.gz	RIBLZOXSNOQZTG-HNNXBMFYSA-N	-1	0	477.495	0.378	50	0		JCAARM
CS(=O)(=O)N1CCC(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1	ZINC000012605392	195051056	/nfs/dbraw/zinc/05/10/56/195051056.db2.gz	OMTGUVQMDLUSMA-UHFFFAOYSA-N	-1	0	493.567	0.811	50	0		JCAARM
CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000012652418	195076675	/nfs/dbraw/zinc/07/66/75/195076675.db2.gz	AVDPHNNOSOYOHH-LSDHHAIUSA-N	-1	0	451.476	0.848	50	0	biogenic	JCAARM
CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000012652422	195076815	/nfs/dbraw/zinc/07/68/15/195076815.db2.gz	AVDPHNNOSOYOHH-HUUCEWRRSA-N	-1	0	451.476	0.848	50	0	biogenic	JCAARM
CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(N)=O)C(=O)[O-]	ZINC000012652426	195076792	/nfs/dbraw/zinc/07/67/92/195076792.db2.gz	AVDPHNNOSOYOHH-CABCVRRESA-N	-1	0	451.476	0.848	50	0	biogenic	JCAARM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000012658987	195079110	/nfs/dbraw/zinc/07/91/10/195079110.db2.gz	JEXPIHWYYKKCSI-KZNAEPCWSA-N	-1	0	453.400	0.682	50	0	biogenic	JCAARM
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccc(C(=O)[O-])cc1	ZINC000012658990	195079226	/nfs/dbraw/zinc/07/92/26/195079226.db2.gz	JEXPIHWYYKKCSI-RCCFBDPRSA-N	-1	0	453.400	0.682	50	0	biogenic	JCAARM
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)Nc1ccccc1C(=O)[O-]	ZINC000012659296	195079207	/nfs/dbraw/zinc/07/92/07/195079207.db2.gz	HFMIBYGGRVDODH-KZNAEPCWSA-N	-1	0	453.400	0.682	50	0	biogenic	JCAARM
CC(C)[C@@H](NC(=O)[C@H](NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(C)C)C(=O)[O-]	ZINC000012661564	195081141	/nfs/dbraw/zinc/08/11/41/195081141.db2.gz	KITUNTLZXUHISK-XATANGGSSA-N	-1	0	472.535	0.749	50	0	biogenic	JCAARM
CCOC(=O)c1cnc(-n2[n-]c(C)c(CCCN3C(=O)c4ccccc4C3=O)c2=O)[nH]c1=O	ZINC000012860331	556118935	/nfs/dbraw/zinc/11/89/35/556118935.db2.gz	XZGRVSZVHWPSPE-UHFFFAOYSA-N	-1	0	451.439	0.963	50	0		JCAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000012863416	195160490	/nfs/dbraw/zinc/16/04/90/195160490.db2.gz	DEAUEQAXVCGBBN-ROUUACIJSA-N	-1	0	490.557	0.806	50	0	biogenic	JCAARM
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1	ZINC000012863515	195160493	/nfs/dbraw/zinc/16/04/93/195160493.db2.gz	XXYWPGOFJCDZTI-KRWDZBQOSA-N	-1	0	471.601	0.834	50	0	biogenic	JCAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC1	ZINC000012863844	195160469	/nfs/dbraw/zinc/16/04/69/195160469.db2.gz	IHKHFGKADVGLJA-HOCLYGCPSA-N	-1	0	456.540	0.609	50	0	biogenic	JCAARM
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC2)cc1	ZINC000012863850	195160530	/nfs/dbraw/zinc/16/05/30/195160530.db2.gz	HQGBPGSGOKBHKG-UXPWSPDFSA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC2)C(C)C)cc1	ZINC000012864113	195160766	/nfs/dbraw/zinc/16/07/66/195160766.db2.gz	CJGOGSAFZRPKDE-MNEFBYGVSA-N	-1	0	483.587	0.487	50	0	biogenic	JCAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC2)C(C)C)cc1	ZINC000012864121	195160834	/nfs/dbraw/zinc/16/08/34/195160834.db2.gz	CJGOGSAFZRPKDE-SNRMKQJTSA-N	-1	0	483.587	0.487	50	0	biogenic	JCAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000012864243	195160775	/nfs/dbraw/zinc/16/07/75/195160775.db2.gz	XGWVNPFQLWWDGY-DYVFJYSZSA-N	-1	0	456.540	0.481	50	0	biogenic	JCAARM
Cc1oc2cc3oc(=O)c(CCC(=O)NCC(=O)NCC(=O)NCC(=O)[O-])c(C)c3cc2c1C	ZINC000012864320	195160808	/nfs/dbraw/zinc/16/08/08/195160808.db2.gz	CMGBUQIVQLOQST-UHFFFAOYSA-N	-1	0	471.466	0.830	50	0	biogenic	JCAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012865385	195161324	/nfs/dbraw/zinc/16/13/24/195161324.db2.gz	WTLDHYSXJIRVBI-SNPRPXQTSA-N	-1	0	461.581	0.822	50	0	biogenic	JCAARM
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012866337	195161501	/nfs/dbraw/zinc/16/15/01/195161501.db2.gz	HHQQZURKHPFOIC-YKCBXCCJSA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012866342	195161507	/nfs/dbraw/zinc/16/15/07/195161507.db2.gz	HHQQZURKHPFOIC-JSJNYSNDSA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000012866349	195161394	/nfs/dbraw/zinc/16/13/94/195161394.db2.gz	HHQQZURKHPFOIC-LPWQTFTOSA-N	-1	0	497.614	0.877	50	0	biogenic	JCAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)NCC(=O)[O-])CC1	ZINC000012866692	195161629	/nfs/dbraw/zinc/16/16/29/195161629.db2.gz	WXHRMUBSUUEUCI-SFHVURJKSA-N	-1	0	490.557	0.678	50	0	biogenic	JCAARM
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)C(=O)[C@]31C	ZINC000012877274	195166865	/nfs/dbraw/zinc/16/68/65/195166865.db2.gz	XIRHHGLOIQTKFM-UKDKTGFPSA-N	-1	0	458.471	0.551	50	0	biogenic	JCAARM
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)O)C(=O)[C@]31C	ZINC000012877285	195166887	/nfs/dbraw/zinc/16/68/87/195166887.db2.gz	XIRHHGLOIQTKFM-JLJHPIQPSA-N	-1	0	458.471	0.551	50	0	biogenic	JCAARM
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012878646	195167533	/nfs/dbraw/zinc/16/75/33/195167533.db2.gz	HVOXVMJQPASPIQ-HQOQDVMHSA-N	-1	0	450.451	0.905	50	0	biogenic	JCAARM
Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c1=O	ZINC000012885444	556124342	/nfs/dbraw/zinc/12/43/42/556124342.db2.gz	XCCPELSYJIDVCL-HKUYNNGSSA-N	-1	0	481.509	0.502	50	0	biogenic	JCAARM
C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012886638	195170692	/nfs/dbraw/zinc/17/06/92/195170692.db2.gz	LTBXUHDCVKELTQ-IYOUNJFTSA-N	-1	0	452.467	0.568	50	0	biogenic	JCAARM
CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888669	195171596	/nfs/dbraw/zinc/17/15/96/195171596.db2.gz	KLACSBOZUSYUMW-CVEARBPZSA-N	-1	0	464.544	0.543	50	0	biogenic	JCAARM
C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888804	195171882	/nfs/dbraw/zinc/17/18/82/195171882.db2.gz	HVOXVMJQPASPIQ-DPMMWBKBSA-N	-1	0	450.451	0.905	50	0	biogenic	JCAARM
C[C@H](O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888810	195171858	/nfs/dbraw/zinc/17/18/58/195171858.db2.gz	HVOXVMJQPASPIQ-RQUSPXKASA-N	-1	0	450.451	0.905	50	0	biogenic	JCAARM
NC(=O)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888829	195171871	/nfs/dbraw/zinc/17/18/71/195171871.db2.gz	PWLQAWARDCIIRY-QZTJIDSGSA-N	-1	0	463.450	0.400	50	0	biogenic	JCAARM
C[C@H](O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012889236	195172106	/nfs/dbraw/zinc/17/21/06/195172106.db2.gz	HVOXVMJQPASPIQ-GESALYCCSA-N	-1	0	450.451	0.905	50	0	biogenic	JCAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012889308	195172043	/nfs/dbraw/zinc/17/20/43/195172043.db2.gz	MGCRWSZQUUJJKQ-PVUWLOKVSA-N	-1	0	464.544	0.543	50	0	biogenic	JCAARM
CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012889315	195172026	/nfs/dbraw/zinc/17/20/26/195172026.db2.gz	MGCRWSZQUUJJKQ-NUTKFTJISA-N	-1	0	464.544	0.543	50	0	biogenic	JCAARM
NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000012889691	195172274	/nfs/dbraw/zinc/17/22/74/195172274.db2.gz	HENJKXXPFOAHFY-IRXDYDNUSA-N	-1	0	467.482	0.601	50	0	biogenic	JCAARM
COC(=O)c1sc(S(=O)(=O)[N-]C2CCN(S(C)(=O)=O)CC2)c(C(=O)OC)c1C	ZINC000012903501	195178245	/nfs/dbraw/zinc/17/82/45/195178245.db2.gz	REBOARYEHAWJMU-UHFFFAOYSA-N	-1	0	454.548	0.332	50	0		JCAARM
Cc1nn([C@H](C)C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)cc1Cl	ZINC000013144725	555341611	/nfs/dbraw/zinc/34/16/11/555341611.db2.gz	FTBJSGFGEYXEHS-SXKNGAHQSA-N	-1	0	498.978	0.460	50	0		JCAARM
Cc1nn([C@H](C)C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnnn4C)CS[C@@H]23)cc1Cl	ZINC000013144727	555341636	/nfs/dbraw/zinc/34/16/36/555341636.db2.gz	FTBJSGFGEYXEHS-UQHVFFSPSA-N	-1	0	498.978	0.460	50	0		JCAARM
C[C@H](C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]12)n1cc(Cl)cn1	ZINC000013145013	555341599	/nfs/dbraw/zinc/34/15/99/555341599.db2.gz	SRFXZBVHYQPYLN-IMIVBSTGSA-N	-1	0	484.951	0.152	50	0		JCAARM
C[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3C)CS[C@@H]12)n1cc(Cl)cn1	ZINC000013145015	555341689	/nfs/dbraw/zinc/34/16/89/555341689.db2.gz	SRFXZBVHYQPYLN-LXORQNMDSA-N	-1	0	484.951	0.152	50	0		JCAARM
CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000013151391	555358834	/nfs/dbraw/zinc/35/88/34/555358834.db2.gz	KITUNTLZXUHISK-URVWCJJISA-N	-1	0	472.535	0.749	50	0		JCAARM
Cn1c([O-])c([C@@H]2c3cc(Cl)cc(Cl)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000013514378	555485103	/nfs/dbraw/zinc/48/51/03/555485103.db2.gz	UMTPHFBPGWXGJN-JTQLQIEISA-N	-1	0	467.265	0.780	50	0		JCAARM
Cn1c([O-])c([C@H]2c3cc(Cl)cc(Cl)c3Oc3c2c(=O)n(C)c(=O)n3C)c(=O)n(C)c1=O	ZINC000013514380	555485112	/nfs/dbraw/zinc/48/51/12/555485112.db2.gz	UMTPHFBPGWXGJN-SNVBAGLBSA-N	-1	0	467.265	0.780	50	0		JCAARM
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013515113	555485361	/nfs/dbraw/zinc/48/53/61/555485361.db2.gz	YWWPFLBIDPYGOS-BZSNNMDCSA-N	-1	0	453.561	0.903	50	0		JCAARM
CCCC(=O)Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@H]2OC(=O)CCC)c(=O)[nH]1	ZINC000013515952	555485429	/nfs/dbraw/zinc/48/54/29/555485429.db2.gz	SWTMOFFYOXKQNN-KRQFVHPKSA-N	-1	0	485.390	0.983	50	0	in-vitro	JCAARM
CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](NC(=O)N3CCNC3=O)c3ccccc3)[C@H]2SC1	ZINC000013563716	555498733	/nfs/dbraw/zinc/49/87/33/555498733.db2.gz	PZPZLYAELPRKDH-GDZNZVCISA-N	-1	0	459.484	0.221	50	0		JCAARM
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1n[nH]c(=O)[n-]c1=O	ZINC000013638174	555545689	/nfs/dbraw/zinc/54/56/89/555545689.db2.gz	ZMQKPSWOHMTXNU-UHFFFAOYSA-N	-1	0	457.490	0.043	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Br)c(C)n3)[C@@H]2SC1	ZINC000013640282	555546938	/nfs/dbraw/zinc/54/69/38/555546938.db2.gz	JAZFJYBKBDRDDW-WLTZMBQTSA-N	-1	0	487.332	0.817	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Br)c(C)n3)[C@@H]2SC1	ZINC000013640284	555546883	/nfs/dbraw/zinc/54/68/83/555546883.db2.gz	JAZFJYBKBDRDDW-CVKUXFQVSA-N	-1	0	487.332	0.817	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)cnn3C)[C@@H]2SC1	ZINC000013640299	519755216	/nfs/dbraw/zinc/75/52/16/519755216.db2.gz	YLDMMNITDADBBL-XPTSAGLGSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)cnn3C)[C@H]2SC1	ZINC000013640301	555546965	/nfs/dbraw/zinc/54/69/65/555546965.db2.gz	YLDMMNITDADBBL-LKFCYVNXSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)cnn3C)[C@@H]2SC1	ZINC000013640303	555546903	/nfs/dbraw/zinc/54/69/03/555546903.db2.gz	YLDMMNITDADBBL-OTYXRUKQSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)cnn3C)[C@H]2SC1	ZINC000013640305	555546933	/nfs/dbraw/zinc/54/69/33/555546933.db2.gz	YLDMMNITDADBBL-YMTOWFKASA-N	-1	0	459.278	0.098	50	0		JCAARM
COc1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000013723059	555598453	/nfs/dbraw/zinc/59/84/53/555598453.db2.gz	TZDMMPCEBKALSX-NSHDSACASA-N	-1	0	489.553	0.456	50	0		JCAARM
COc1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000013723062	555598503	/nfs/dbraw/zinc/59/85/03/555598503.db2.gz	TZDMMPCEBKALSX-LLVKDONJSA-N	-1	0	489.553	0.456	50	0		JCAARM
NS(=O)(=O)c1ccc(CN(C(=O)CCC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000013940915	555652088	/nfs/dbraw/zinc/65/20/88/555652088.db2.gz	ZHOFUCLZTNRFFX-KRWDZBQOSA-N	-1	0	459.480	0.860	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)cc3C)[C@@H]2SC1	ZINC000013960085	555663255	/nfs/dbraw/zinc/66/32/55/555663255.db2.gz	PIKGYWIKXMIRHL-BBRMVZONSA-N	-1	0	476.433	0.902	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)CCn3nc(C(F)(F)F)cc3C)[C@H]2SC1	ZINC000013960086	555663321	/nfs/dbraw/zinc/66/33/21/555663321.db2.gz	PIKGYWIKXMIRHL-XJKSGUPXSA-N	-1	0	476.433	0.902	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)cc3C)[C@@H]2SC1	ZINC000013960087	555663226	/nfs/dbraw/zinc/66/32/26/555663226.db2.gz	PIKGYWIKXMIRHL-CJNGLKHVSA-N	-1	0	476.433	0.902	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)CCn3nc(C(F)(F)F)cc3C)[C@H]2SC1	ZINC000013960088	555663300	/nfs/dbraw/zinc/66/33/00/555663300.db2.gz	PIKGYWIKXMIRHL-CZUORRHYSA-N	-1	0	476.433	0.902	50	0		JCAARM
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000014142130	555707668	/nfs/dbraw/zinc/70/76/68/555707668.db2.gz	PCOUYBLECLCWFD-SNVBAGLBSA-N	-1	0	483.362	0.461	50	0		JCAARM
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1	ZINC000014142131	555707649	/nfs/dbraw/zinc/70/76/49/555707649.db2.gz	PCOUYBLECLCWFD-JTQLQIEISA-N	-1	0	483.362	0.461	50	0		JCAARM
Nc1c(N(Cc2ccco2)C(=O)CCn2[n-]c(=O)ccc2=O)c(=O)[nH]c(=O)n1Cc1ccccc1	ZINC000014237504	555739944	/nfs/dbraw/zinc/73/99/44/555739944.db2.gz	BAGXNOSZQRQJDS-UHFFFAOYSA-N	-1	0	478.465	0.234	50	0		JCAARM
O=C(C[C@H]1SC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000014251005	555753303	/nfs/dbraw/zinc/75/33/03/555753303.db2.gz	NYXGJOLKMJYNBP-OAHLLOKOSA-N	-1	0	455.514	0.423	50	0		JCAARM
O=C(C[C@@H]1SC(=O)[N-]C1=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000014251007	555753407	/nfs/dbraw/zinc/75/34/07/555753407.db2.gz	NYXGJOLKMJYNBP-HNNXBMFYSA-N	-1	0	455.514	0.423	50	0		JCAARM
O=C([O-])CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21	ZINC000014632715	527592399	/nfs/dbraw/zinc/59/23/99/527592399.db2.gz	GYOXFFWLRKVJJX-ZWOKBUDYSA-N	-1	0	491.607	0.370	50	0		JCAARM
Cn1c2ccccc2c(=O)n([C@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])c1=O	ZINC000015959599	556091838	/nfs/dbraw/zinc/09/18/38/556091838.db2.gz	LFXPOAJLVWPEAS-FUHWJXTLSA-N	-1	0	452.467	0.319	50	0		JCAARM
Cn1c2ccccc2c(=O)n([C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1=O	ZINC000015959600	556091728	/nfs/dbraw/zinc/09/17/28/556091728.db2.gz	LFXPOAJLVWPEAS-AEFFLSMTSA-N	-1	0	452.467	0.319	50	0		JCAARM
Cn1c2ccccc2c(=O)n([C@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)[O-])c1=O	ZINC000015959601	556091777	/nfs/dbraw/zinc/09/17/77/556091777.db2.gz	LFXPOAJLVWPEAS-SJLPKXTDSA-N	-1	0	452.467	0.319	50	0		JCAARM
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015969981	556095972	/nfs/dbraw/zinc/09/59/72/556095972.db2.gz	TYNZHTWVPXSMLI-SSHXOBKSSA-N	-1	0	468.551	0.753	50	0		JCAARM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCC(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015969982	556095992	/nfs/dbraw/zinc/09/59/92/556095992.db2.gz	TYNZHTWVPXSMLI-CKUJCDMFSA-N	-1	0	468.551	0.753	50	0		JCAARM
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1CCC(C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000015969984	556096054	/nfs/dbraw/zinc/09/60/54/556096054.db2.gz	TYNZHTWVPXSMLI-QDIHITRGSA-N	-1	0	468.551	0.753	50	0		JCAARM
CS(=O)(=O)N1CCN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)CC1	ZINC000016361011	525173893	/nfs/dbraw/zinc/17/38/93/525173893.db2.gz	OGFJKDCEGJTNPK-UHFFFAOYSA-N	-1	0	456.575	0.551	50	0		JCAARM
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H]([N-]C(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000017020744	556204566	/nfs/dbraw/zinc/20/45/66/556204566.db2.gz	SEEYXQVYXYGHNF-DHGKCCLASA-N	-1	0	492.692	0.556	50	0		JCAARM
CC(C)[C@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000017027773	519818172	/nfs/dbraw/zinc/81/81/72/519818172.db2.gz	MBWQHVNKKHCBIC-ZOJXTTQQSA-N	-1	0	458.515	0.838	50	0		JCAARM
CSCC[C@H](NC(=O)C1CCC(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000017029138	556207732	/nfs/dbraw/zinc/20/77/32/556207732.db2.gz	LRJPMJWJATWOEW-JMLCCBQJSA-N	-1	0	490.582	0.935	50	0		JCAARM
COc1c2c(cc3c1C[C@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c([O-])[nH]c(=O)n(C)c1=O)C3)OCO2	ZINC000017045119	556210743	/nfs/dbraw/zinc/21/07/43/556210743.db2.gz	ADKBAWJVGWFRBU-NNJUXLKUSA-N	-1	0	472.410	0.202	50	0		JCAARM
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12	ZINC000020602276	555842839	/nfs/dbraw/zinc/84/28/39/555842839.db2.gz	YBXXFWMAJFDCFT-BONVTDFDSA-N	-1	0	473.305	0.581	50	0		JCAARM
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12	ZINC000020602277	555842833	/nfs/dbraw/zinc/84/28/33/555842833.db2.gz	YBXXFWMAJFDCFT-BMIGLBTASA-N	-1	0	473.305	0.581	50	0		JCAARM
CCn1ncc(Br)c1C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12	ZINC000020602278	555843185	/nfs/dbraw/zinc/84/31/85/555843185.db2.gz	YBXXFWMAJFDCFT-ZUZCIYMTSA-N	-1	0	473.305	0.581	50	0		JCAARM
CCn1ncc(Br)c1C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12	ZINC000020602279	555843088	/nfs/dbraw/zinc/84/30/88/555843088.db2.gz	YBXXFWMAJFDCFT-MEBBXXQBSA-N	-1	0	473.305	0.581	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)c(C)nn3C)[C@@H]2SC1	ZINC000020602280	555843097	/nfs/dbraw/zinc/84/30/97/555843097.db2.gz	FRYPXUYNMCAXKZ-BONVTDFDSA-N	-1	0	473.305	0.406	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3c(Br)c(C)nn3C)[C@H]2SC1	ZINC000020602281	555843173	/nfs/dbraw/zinc/84/31/73/555843173.db2.gz	FRYPXUYNMCAXKZ-ZUZCIYMTSA-N	-1	0	473.305	0.406	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C)nn3C)[C@@H]2SC1	ZINC000020602282	555843126	/nfs/dbraw/zinc/84/31/26/555843126.db2.gz	FRYPXUYNMCAXKZ-BMIGLBTASA-N	-1	0	473.305	0.406	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3c(Br)c(C)nn3C)[C@H]2SC1	ZINC000020602283	555843080	/nfs/dbraw/zinc/84/30/80/555843080.db2.gz	FRYPXUYNMCAXKZ-MEBBXXQBSA-N	-1	0	473.305	0.406	50	0		JCAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nc(N3CCOCC3)[nH]c2=O)c1	ZINC000021399423	195301032	/nfs/dbraw/zinc/30/10/32/195301032.db2.gz	MGKGFBDVOWKMTD-UHFFFAOYSA-N	-1	0	450.517	0.985	50	0		JCAARM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(CC(=O)N2CCCC2)c(=O)n3C)nc1	ZINC000021711258	525303586	/nfs/dbraw/zinc/30/35/86/525303586.db2.gz	VLNUAGHLTWYMSQ-UHFFFAOYSA-N	-1	0	457.512	0.827	50	0		JCAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(CC(=O)N2CCCC2)c(=O)n3C)c1	ZINC000021711355	525699977	/nfs/dbraw/zinc/69/99/77/525699977.db2.gz	FQVKFBBMYGQGMB-UHFFFAOYSA-N	-1	0	457.512	0.827	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3Br)[C@@H]2SC1	ZINC000022566334	519755760	/nfs/dbraw/zinc/75/57/60/519755760.db2.gz	DYNAVYILMGCIMN-HZMBPMFUSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3Br)[C@H]2SC1	ZINC000022566339	519755867	/nfs/dbraw/zinc/75/58/67/519755867.db2.gz	DYNAVYILMGCIMN-IINYFYTJSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Br)[C@@H]2SC1	ZINC000022566343	519755443	/nfs/dbraw/zinc/75/54/43/519755443.db2.gz	DYNAVYILMGCIMN-YGRLFVJLSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3nn(C)cc3Br)[C@H]2SC1	ZINC000022566348	519755381	/nfs/dbraw/zinc/75/53/81/519755381.db2.gz	DYNAVYILMGCIMN-QMTHXVAHSA-N	-1	0	459.278	0.098	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)cc3C)[C@@H]2SC1	ZINC000022569768	519755368	/nfs/dbraw/zinc/75/53/68/519755368.db2.gz	QFTJTDPDNRZHCK-WFASDCNBSA-N	-1	0	462.406	0.512	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)(F)F)cc3C)[C@H]2SC1	ZINC000022569774	519755226	/nfs/dbraw/zinc/75/52/26/519755226.db2.gz	QFTJTDPDNRZHCK-SWLSCSKDSA-N	-1	0	462.406	0.512	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)cc3C)[C@@H]2SC1	ZINC000022569779	519755278	/nfs/dbraw/zinc/75/52/78/519755278.db2.gz	QFTJTDPDNRZHCK-DOMZBBRYSA-N	-1	0	462.406	0.512	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)(F)F)cc3C)[C@H]2SC1	ZINC000022569784	519755325	/nfs/dbraw/zinc/75/53/25/519755325.db2.gz	QFTJTDPDNRZHCK-IUODEOHRSA-N	-1	0	462.406	0.512	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Br)cn3)[C@@H]2SC1	ZINC000022709020	519755379	/nfs/dbraw/zinc/75/53/79/519755379.db2.gz	RCTXJSDDXBBPBK-AKNJWJSBSA-N	-1	0	473.305	0.508	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H](C)n3cc(Br)cn3)[C@@H]2SC1	ZINC000022709023	519755363	/nfs/dbraw/zinc/75/53/63/519755363.db2.gz	RCTXJSDDXBBPBK-NVNFVWPKSA-N	-1	0	473.305	0.508	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	ZINC000022745012	519755188	/nfs/dbraw/zinc/75/51/88/519755188.db2.gz	MXRRTBVWHFTHHM-BBRMVZONSA-N	-1	0	487.332	0.564	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C)c(Br)c3C)[C@H]2SC1	ZINC000022745015	519755203	/nfs/dbraw/zinc/75/52/03/519755203.db2.gz	MXRRTBVWHFTHHM-XJKSGUPXSA-N	-1	0	487.332	0.564	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)c(Br)c3C)[C@@H]2SC1	ZINC000022745019	519755249	/nfs/dbraw/zinc/75/52/49/519755249.db2.gz	MXRRTBVWHFTHHM-CJNGLKHVSA-N	-1	0	487.332	0.564	50	0		JCAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C)c(Br)c3C)[C@H]2SC1	ZINC000022745023	519755320	/nfs/dbraw/zinc/75/53/20/519755320.db2.gz	MXRRTBVWHFTHHM-CZUORRHYSA-N	-1	0	487.332	0.564	50	0		JCAARM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000025668028	519819508	/nfs/dbraw/zinc/81/95/08/519819508.db2.gz	SUUHZYLYARUNIA-YEWWUXTCSA-N	-1	0	453.467	0.940	50	0	in-vivo	JCAARM
O=C(Cn1ncn(-c2ccccc2)c1=O)NN=Cc1ccc(OC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1	ZINC000027642097	1070302292	/nfs/dbraw/zinc/30/22/92/1070302292.db2.gz	GTSPOSNXMZJTMP-KRWDZBQOSA-N	-1	0	494.489	0.831	50	0		JCAARM
O=C(Cn1ncn(-c2ccccc2)c1=O)NN=Cc1ccc(OC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1	ZINC000027642103	1070302037	/nfs/dbraw/zinc/30/20/37/1070302037.db2.gz	GTSPOSNXMZJTMP-QGZVFWFLSA-N	-1	0	494.489	0.831	50	0		JCAARM
COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(-c3ccccc3)oc12	ZINC000028537647	556335166	/nfs/dbraw/zinc/33/51/66/556335166.db2.gz	LNOHXHDWGCMVCO-NTKSAMNMSA-N	-1	0	460.391	0.445	50	0	biogenic,in-vitro	JCAARM
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O	ZINC000031155527	569602461	/nfs/dbraw/zinc/60/24/61/569602461.db2.gz	GCLAFEGUXXHIFT-IWLDQSELSA-N	-1	0	462.407	0.059	50	0	biogenic,in-vitro	JCAARM
COc1c(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O	ZINC000031160567	556393293	/nfs/dbraw/zinc/39/32/93/556393293.db2.gz	GVEZRDBRYNJUDQ-QSUZLTIMSA-N	-1	0	476.390	0.151	50	0	biogenic,in-vitro	JCAARM
O=C([O-])[C@H]1O[C@@H](O[C@@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000031460590	556397162	/nfs/dbraw/zinc/39/71/62/556397162.db2.gz	FIKQKGFUBZQEBL-ZPZURBKOSA-N	-1	0	462.842	0.364	50	0	endogenous,world	JCAARM
O=C([O-])[C@H]1O[C@@H](O[C@H]2N=C(c3ccccc3)c3cc(Cl)ccc3NC2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000031460595	556397091	/nfs/dbraw/zinc/39/70/91/556397091.db2.gz	FIKQKGFUBZQEBL-MDSWJYCDSA-N	-1	0	462.842	0.364	50	0	endogenous,world	JCAARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)c2)cc1	ZINC000031773030	556403825	/nfs/dbraw/zinc/40/38/25/556403825.db2.gz	GQJMGEZMHBVKBR-MRXNPFEDSA-N	-1	0	494.594	0.096	50	0		JCAARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)c2)cc1	ZINC000031773033	556403727	/nfs/dbraw/zinc/40/37/27/556403727.db2.gz	GQJMGEZMHBVKBR-INIZCTEOSA-N	-1	0	494.594	0.096	50	0		JCAARM
O=C([O-])C1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1	ZINC000032070168	556413041	/nfs/dbraw/zinc/41/30/41/556413041.db2.gz	LGSMUVKBOPKNJP-UHFFFAOYSA-N	-1	0	455.508	0.762	50	0		JCAARM
O=C([O-])[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000032090608	556414523	/nfs/dbraw/zinc/41/45/23/556414523.db2.gz	GIOLNNNAAYUTBT-OAHLLOKOSA-N	-1	0	455.508	0.762	50	0		JCAARM
O=C([O-])[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000032090610	556414470	/nfs/dbraw/zinc/41/44/70/556414470.db2.gz	GIOLNNNAAYUTBT-HNNXBMFYSA-N	-1	0	455.508	0.762	50	0		JCAARM
CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000032833517	556506920	/nfs/dbraw/zinc/50/69/20/556506920.db2.gz	QPUDPNFDFGFYAM-UHFFFAOYSA-N	-1	0	475.570	0.880	50	0		JCAARM
O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000032903986	556530060	/nfs/dbraw/zinc/53/00/60/556530060.db2.gz	DENCYUIIRUPMSG-LLVKDONJSA-N	-1	0	450.498	0.574	50	0		JCAARM
O=C(N[C@H]1CCS(=O)(=O)C1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000032903987	556530097	/nfs/dbraw/zinc/53/00/97/556530097.db2.gz	DENCYUIIRUPMSG-NSHDSACASA-N	-1	0	450.498	0.574	50	0		JCAARM
CS(=O)(=O)Nc1ccc(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c(C(=O)[O-])c1	ZINC000032961661	556578686	/nfs/dbraw/zinc/57/86/86/556578686.db2.gz	VQNQDBVYFZLVBP-UHFFFAOYSA-N	-1	0	462.532	0.710	50	0		JCAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)N3CCN(C)CC3)CC2)cc1C(=O)[O-]	ZINC000033259909	521684827	/nfs/dbraw/zinc/68/48/27/521684827.db2.gz	KYLBOMMUXWRBKQ-UHFFFAOYSA-N	-1	0	453.565	0.042	50	0		JCAARM
Cn1c2ccc(S(=O)(=O)[N-]c3cccnc3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O	ZINC000033281398	527105730	/nfs/dbraw/zinc/10/57/30/527105730.db2.gz	HVNUMYSZJVUZIM-UHFFFAOYSA-N	-1	0	457.512	0.909	50	0		JCAARM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2c(=O)n(CCC(=O)N2CCCC2)c1=O	ZINC000033281535	527104691	/nfs/dbraw/zinc/10/46/91/527104691.db2.gz	PBWMEINPFYXTPC-UHFFFAOYSA-N	-1	0	457.512	0.909	50	0		JCAARM
COc1ccc(-c2nnc(CCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[n-]2)cc1OC	ZINC000034766097	569658354	/nfs/dbraw/zinc/65/83/54/569658354.db2.gz	YLHRVASTJMXITO-UHFFFAOYSA-N	-1	0	484.557	0.961	50	0		JCAARM
COCCN1CCN(C(=O)CCc2nnc(-c3cc(OC)c(OC)c(OC)c3)[n-]c2=O)CC1	ZINC000034767994	569658842	/nfs/dbraw/zinc/65/88/42/569658842.db2.gz	FAJXQPYNOAKGDP-UHFFFAOYSA-N	-1	0	461.519	0.993	50	0		JCAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036352757	569771282	/nfs/dbraw/zinc/77/12/82/569771282.db2.gz	LSZKWJMXDPOWJT-NRFANRHFSA-N	-1	0	457.531	0.394	50	0		JCAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036352759	569771339	/nfs/dbraw/zinc/77/13/39/569771339.db2.gz	LSZKWJMXDPOWJT-OAQYLSRUSA-N	-1	0	457.531	0.394	50	0		JCAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c2ccccc21	ZINC000036353600	569771532	/nfs/dbraw/zinc/77/15/32/569771532.db2.gz	ZSSOBEPTUXZBCH-AOMKIAJQSA-N	-1	0	458.515	0.764	50	0		JCAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c2ccccc21	ZINC000036353601	569771463	/nfs/dbraw/zinc/77/14/63/569771463.db2.gz	ZSSOBEPTUXZBCH-KSFYIVLOSA-N	-1	0	458.515	0.764	50	0		JCAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c2ccccc21	ZINC000036353603	569771436	/nfs/dbraw/zinc/77/14/36/569771436.db2.gz	ZSSOBEPTUXZBCH-ZHRRBRCNSA-N	-1	0	458.515	0.764	50	0		JCAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c2ccccc21	ZINC000036353604	569771460	/nfs/dbraw/zinc/77/14/60/569771460.db2.gz	ZSSOBEPTUXZBCH-OPAMFIHVSA-N	-1	0	458.515	0.764	50	0		JCAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036357061	569771810	/nfs/dbraw/zinc/77/18/10/569771810.db2.gz	FQJDJCPUPSEINJ-NRFANRHFSA-N	-1	0	457.531	0.394	50	0		JCAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036357062	569771746	/nfs/dbraw/zinc/77/17/46/569771746.db2.gz	FQJDJCPUPSEINJ-OAQYLSRUSA-N	-1	0	457.531	0.394	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)CC1	ZINC000036358090	569772088	/nfs/dbraw/zinc/77/20/88/569772088.db2.gz	IUQGYEXEQPQQPW-QFIPXVFZSA-N	-1	0	457.531	0.243	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4ccccc34)CC2)CC1	ZINC000036358091	569772077	/nfs/dbraw/zinc/77/20/77/569772077.db2.gz	IUQGYEXEQPQQPW-JOCHJYFZSA-N	-1	0	457.531	0.243	50	0		JCAARM
CN(C)C(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036358150	569772057	/nfs/dbraw/zinc/77/20/57/569772057.db2.gz	QRDUUWMXKOAGPS-NRFANRHFSA-N	-1	0	459.503	0.803	50	0		JCAARM
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036358151	569772069	/nfs/dbraw/zinc/77/20/69/569772069.db2.gz	QRDUUWMXKOAGPS-OAQYLSRUSA-N	-1	0	459.503	0.803	50	0		JCAARM
CN(C)C(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000036360090	569772583	/nfs/dbraw/zinc/77/25/83/569772583.db2.gz	NUSSLAWRYONWHJ-NRFANRHFSA-N	-1	0	459.503	0.803	50	0		JCAARM
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000036360091	569772496	/nfs/dbraw/zinc/77/24/96/569772496.db2.gz	NUSSLAWRYONWHJ-OAQYLSRUSA-N	-1	0	459.503	0.803	50	0		JCAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2ccc(F)cc21	ZINC000036360370	569772574	/nfs/dbraw/zinc/77/25/74/569772574.db2.gz	AUHXPYKBRAXYBX-NRFANRHFSA-N	-1	0	462.478	0.467	50	0		JCAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCOCC3)CC2)c2ccc(F)cc21	ZINC000036360371	569772603	/nfs/dbraw/zinc/77/26/03/569772603.db2.gz	AUHXPYKBRAXYBX-OAQYLSRUSA-N	-1	0	462.478	0.467	50	0		JCAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036365833	569772783	/nfs/dbraw/zinc/77/27/83/569772783.db2.gz	DEBIBEXKSPUJON-KKSFZXQISA-N	-1	0	458.515	0.915	50	0		JCAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@@H]3CCCO3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036365836	569772836	/nfs/dbraw/zinc/77/28/36/569772836.db2.gz	DEBIBEXKSPUJON-HRAATJIYSA-N	-1	0	458.515	0.915	50	0		JCAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036365838	527292980	/nfs/dbraw/zinc/29/29/80/527292980.db2.gz	DEBIBEXKSPUJON-IERDGZPVSA-N	-1	0	458.515	0.915	50	0		JCAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)NC[C@H]3CCCO3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036365840	569772909	/nfs/dbraw/zinc/77/29/09/569772909.db2.gz	DEBIBEXKSPUJON-IIBYNOLFSA-N	-1	0	458.515	0.915	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)CC1	ZINC000036366508	569772988	/nfs/dbraw/zinc/77/29/88/569772988.db2.gz	BKUWBSOSGIUZCF-JOCHJYFZSA-N	-1	0	491.976	0.897	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)CC1	ZINC000036367014	569772973	/nfs/dbraw/zinc/77/29/73/569772973.db2.gz	DILXUPAQNPKHMR-QHCPKHFHSA-N	-1	0	489.548	0.772	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@@H](C(=O)[O-])c3cn(CCC(=O)[O-])c4cc(F)ccc34)CC2)CC1	ZINC000036367016	569772936	/nfs/dbraw/zinc/77/29/36/569772936.db2.gz	DILXUPAQNPKHMR-HSZRJFAPSA-N	-1	0	489.548	0.772	50	0		JCAARM
Cn1c2nc(SCC(=O)[O-])n(C[C@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000036693377	569780079	/nfs/dbraw/zinc/78/00/79/569780079.db2.gz	UOCSFNNEPHNQTM-NSHDSACASA-N	-1	0	454.892	0.704	50	0		JCAARM
Cn1c2nc(SCC(=O)[O-])n(C[C@@H](O)COc3ccc(Cl)cc3)c2c(=O)n(C)c1=O	ZINC000036693380	569780095	/nfs/dbraw/zinc/78/00/95/569780095.db2.gz	UOCSFNNEPHNQTM-LLVKDONJSA-N	-1	0	454.892	0.704	50	0		JCAARM
CCc1ccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)cc1S(=O)(=O)N1CCOCC1	ZINC000040150299	569819638	/nfs/dbraw/zinc/81/96/38/569819638.db2.gz	BDKHIQFGKUTXDV-UHFFFAOYSA-N	-1	0	475.574	0.745	50	0		JCAARM
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc([N-]S(C)(=O)=O)s3)cc2)CC1	ZINC000040150301	569819687	/nfs/dbraw/zinc/81/96/87/569819687.db2.gz	IASRUYFXHYMWJA-UHFFFAOYSA-N	-1	0	488.573	0.015	50	0		JCAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(OCCn4cncn4)c3)cc21	ZINC000040150889	569819818	/nfs/dbraw/zinc/81/98/18/569819818.db2.gz	WILOWSWXAWTXAG-UHFFFAOYSA-N	-1	0	473.467	0.968	50	0		JCAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c1C(=O)[O-]	ZINC000040288218	569823688	/nfs/dbraw/zinc/82/36/88/569823688.db2.gz	DFUXYRDSLVSTFK-NRFANRHFSA-N	-1	0	457.531	0.394	50	0		JCAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCN(C)CC3)CC2)c1C(=O)[O-]	ZINC000040288219	569823717	/nfs/dbraw/zinc/82/37/17/569823717.db2.gz	DFUXYRDSLVSTFK-OAQYLSRUSA-N	-1	0	457.531	0.394	50	0		JCAARM
NC(=[NH2+])NCCC[C@H](NC(=O)c1sccc1[N-]S(=O)(=O)c1cccc2nsnc21)C(=O)[O-]	ZINC000044667951	526817998	/nfs/dbraw/zinc/81/79/98/526817998.db2.gz	ZWWMEDURALZMEV-NSHDSACASA-N	-1	0	497.584	1.000	50	0	in-vitro	JCAARM
O=c1[nH]c2nc(-c3ccc4c(c3)OCCO4)c(-c3c(=O)[nH]c(=O)[nH]c3-n3cccc3)c-2c([O-])[nH]1	ZINC000046009259	527442054	/nfs/dbraw/zinc/44/20/54/527442054.db2.gz	DBQBWCWSXQFYAW-UHFFFAOYSA-N	-1	0	460.406	0.817	50	0		JCAARM
CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000058160038	195368283	/nfs/dbraw/zinc/36/82/83/195368283.db2.gz	WQQRMYJMEVZZCR-UHFFFAOYSA-N	-1	0	462.575	0.688	50	0		JCAARM
Cn1c(=O)c2cc(S(=O)(=O)[N-]c3cccc(OCC(=O)N4CCCC4)c3)cnc2n(C)c1=O	ZINC000062591969	569612452	/nfs/dbraw/zinc/61/24/52/569612452.db2.gz	JRQQTCXYHGQGBP-UHFFFAOYSA-N	-1	0	473.511	0.434	50	0		JCAARM
Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(S(=O)(=O)N4CCCCCC4)cc3)cnc21	ZINC000062626147	569613610	/nfs/dbraw/zinc/61/36/10/569613610.db2.gz	NNHVNXHREJPTFW-UHFFFAOYSA-N	-1	0	493.567	0.987	50	0		JCAARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)cc1	ZINC000065097526	569661346	/nfs/dbraw/zinc/66/13/46/569661346.db2.gz	WFVONCKMLBYZNW-UHFFFAOYSA-N	-1	0	499.552	0.719	50	0		JCAARM
CCc1c([O-])nc(SCC(=O)N2CCN(S(C)(=O)=O)CC2)n(-c2ccccc2OC)c1=O	ZINC000065562828	569675932	/nfs/dbraw/zinc/67/59/32/569675932.db2.gz	JKUIYNKTHGRMPI-UHFFFAOYSA-N	-1	0	482.584	0.705	50	0		JCAARM
O=C(Cn1nc(-n2cccn2)ccc1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000070637652	569695501	/nfs/dbraw/zinc/69/55/01/569695501.db2.gz	UWDCNPQILOSUDW-UHFFFAOYSA-N	-1	0	452.456	0.659	50	0		JCAARM
Cc1cc(=O)n2[n-]c(N(C)C(=O)C(=O)N3CCN(C)CC3)c(S(=O)(=O)c3ccccc3)c2n1	ZINC000085392372	569709943	/nfs/dbraw/zinc/70/99/43/569709943.db2.gz	XXACIZRHKGYTRL-UHFFFAOYSA-N	-1	0	472.527	0.313	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(F)ccc34)CC2)CC1	ZINC000095481222	569724798	/nfs/dbraw/zinc/72/47/98/569724798.db2.gz	VENZVVPEHZZKQD-QFIPXVFZSA-N	-1	0	475.521	0.382	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(F)ccc34)CC2)CC1	ZINC000095481223	569724745	/nfs/dbraw/zinc/72/47/45/569724745.db2.gz	VENZVVPEHZZKQD-JOCHJYFZSA-N	-1	0	475.521	0.382	50	0		JCAARM
CC(=O)OC[C@H]1O[C@H]([N-]C(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095495870	569725332	/nfs/dbraw/zinc/72/53/32/569725332.db2.gz	OECNRSQLSUXGSO-DGTMBMJNSA-N	-1	0	492.692	0.556	50	0		JCAARM
CCOc1ccc(-c2nc(=O)c(CCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)n[n-]2)cc1	ZINC000096281917	130029246	/nfs/dbraw/zinc/02/92/46/130029246.db2.gz	CUDRTGVAQCDZBI-UHFFFAOYSA-N	-1	0	468.558	0.930	50	0		JCAARM
COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)[O-]	ZINC000096503343	130109961	/nfs/dbraw/zinc/10/99/61/130109961.db2.gz	HVDSDOIAPZITDA-UHFFFAOYSA-N	-1	0	456.529	0.240	50	0		JCAARM
CN1CCN(C(=O)CN2CC[NH+]([C@H](C(=O)[O-])c3cn(CC(=O)[O-])c4cc(Cl)ccc34)CC2)CC1	ZINC000096736383	569742907	/nfs/dbraw/zinc/74/29/07/569742907.db2.gz	BKUWBSOSGIUZCF-QFIPXVFZSA-N	-1	0	491.976	0.897	50	0		JCAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)c(=O)n(CCC(=O)N2CCCC2)c(=O)n3C)c1	ZINC000096911777	569743737	/nfs/dbraw/zinc/74/37/37/569743737.db2.gz	YLQXHAKIJWODOQ-UHFFFAOYSA-N	-1	0	471.539	1.217	50	0		JCAARM
CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1cccc(C(=O)[O-])c1	ZINC000097142190	569744594	/nfs/dbraw/zinc/74/45/94/569744594.db2.gz	ZXRARLHLTDZJSY-DRJBRKBZSA-N	-1	0	467.427	0.420	50	0		JCAARM
CN(CC(=O)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1)S(=O)(=O)c1c[nH]cn1	ZINC000097942124	569746052	/nfs/dbraw/zinc/74/60/52/569746052.db2.gz	LLPXRHVUAWXCKI-UHFFFAOYSA-N	-1	0	467.511	0.618	50	0		JCAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)CN(C)S(=O)(=O)c2c[nH]cn2)CC4)cc1	ZINC000097942137	569746099	/nfs/dbraw/zinc/74/60/99/569746099.db2.gz	VCXQKQFHQDTBFL-UHFFFAOYSA-N	-1	0	497.537	0.627	50	0		JCAARM
Cn1c2c(nc(SCc3cc(=O)n4nc[n-]c4n3)n2Cc2ccccc2F)c(=O)n(C)c1=O	ZINC000100220401	569755740	/nfs/dbraw/zinc/75/57/40/569755740.db2.gz	WZBITAVMKAPHHK-UHFFFAOYSA-N	-1	0	468.474	0.644	50	0		JCAARM
NS(=O)(=O)c1ccc(CN(C(=O)CCC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000100566716	569764890	/nfs/dbraw/zinc/76/48/90/569764890.db2.gz	ZHOFUCLZTNRFFX-QGZVFWFLSA-N	-1	0	459.480	0.860	50	0		JCAARM
Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000100681374	569766822	/nfs/dbraw/zinc/76/68/22/569766822.db2.gz	RTIXSXKVDVSHHM-GOSISDBHSA-N	-1	0	499.402	0.935	50	0		JCAARM
Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccc(F)cc2)cc1	ZINC000100681377	569766794	/nfs/dbraw/zinc/76/67/94/569766794.db2.gz	RTIXSXKVDVSHHM-SFHVURJKSA-N	-1	0	499.402	0.935	50	0		JCAARM
CC(C)[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000100686485	569766803	/nfs/dbraw/zinc/76/68/03/569766803.db2.gz	IFAOJWCXOQHSQT-VEVIJQCQSA-N	-1	0	479.490	0.548	50	0		JCAARM
CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)[O-])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000100686489	569766808	/nfs/dbraw/zinc/76/68/08/569766808.db2.gz	IFAOJWCXOQHSQT-ZJNRKIDTSA-N	-1	0	479.490	0.548	50	0		JCAARM
Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1	ZINC000100693008	569766936	/nfs/dbraw/zinc/76/69/36/569766936.db2.gz	ONFDRZSKVCCVMK-GOSISDBHSA-N	-1	0	481.412	0.796	50	0		JCAARM
Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc1	ZINC000100693011	569766923	/nfs/dbraw/zinc/76/69/23/569766923.db2.gz	ONFDRZSKVCCVMK-SFHVURJKSA-N	-1	0	481.412	0.796	50	0		JCAARM
CS(=O)(=O)c1ccc(C(=O)C2=C([O-])[C@@H](O)C[C@H](O)C2=O)c(Cl)c1COCC(F)(F)F	ZINC000101234462	569787762	/nfs/dbraw/zinc/78/77/62/569787762.db2.gz	KGPIRVWYAUCFAI-UWVGGRQHSA-N	-1	0	472.821	0.885	50	0		JCAARM
CS(=O)(=O)c1ccc(C(=O)C2=C([O-])[C@H](O)C[C@@H](O)C2=O)c(Cl)c1COCC(F)(F)F	ZINC000101234470	569787829	/nfs/dbraw/zinc/78/78/29/569787829.db2.gz	KGPIRVWYAUCFAI-NXEZZACHSA-N	-1	0	472.821	0.885	50	0		JCAARM
CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000101256213	569788178	/nfs/dbraw/zinc/78/81/78/569788178.db2.gz	KITUNTLZXUHISK-PKLMLRRPSA-N	-1	0	472.535	0.749	50	0		JCAARM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(=O)[O-]	ZINC000101357343	569794200	/nfs/dbraw/zinc/79/42/00/569794200.db2.gz	RICIHPWBVUXZED-HUUCEWRRSA-N	-1	0	452.468	0.593	50	0		JCAARM
COc1cc2c(cc1OC)CN(Cc1coc([O-])c(CN3CCN(S(C)(=O)=O)CC3)c1=O)CC2	ZINC000101374282	569795086	/nfs/dbraw/zinc/79/50/86/569795086.db2.gz	XPLCEPIOWPSWGJ-UHFFFAOYSA-N	-1	0	493.582	0.998	50	0		JCAARM
CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCc4nc5cc[n-]n5c(=O)c4C3)CC2)CC1	ZINC000102991156	569830693	/nfs/dbraw/zinc/83/06/93/569830693.db2.gz	QHRICMSUTLGJPC-UHFFFAOYSA-N	-1	0	462.576	0.596	50	0		JCAARM
O=C(C1CCN(S(=O)(=O)c2cccc3nonc32)CC1)N1CCc2nc3cc[n-]n3c(=O)c2C1	ZINC000102991171	569830685	/nfs/dbraw/zinc/83/06/85/569830685.db2.gz	NIORXEOIBWGTET-UHFFFAOYSA-N	-1	0	483.510	0.544	50	0		JCAARM
COc1cc2c(cc1OC)N1C(=O)C[C@H](OCC(=O)[O-])[C@H]3[C@@H]1[C@@H]2[C@@]12CCN1C(=O)C(=O)[C@@H]3C2	ZINC000169302062	569868222	/nfs/dbraw/zinc/86/82/22/569868222.db2.gz	RXLPSBUAFKMRNI-KWJQLEKGSA-N	-1	0	456.451	0.566	50	0	biogenic	JCAARM
CC(C)[C@@H](NC(=O)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000229926119	570042411	/nfs/dbraw/zinc/04/24/11/570042411.db2.gz	KITUNTLZXUHISK-DKVGGIFUSA-N	-1	0	472.535	0.749	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@@H]2SC1	ZINC000239174546	570049335	/nfs/dbraw/zinc/04/93/35/570049335.db2.gz	QFJCOLLCUPTBTA-AHXJXLJNSA-N	-1	0	472.552	0.845	50	0		JCAARM
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)[C@H]2SC1	ZINC000239174547	570049337	/nfs/dbraw/zinc/04/93/37/570049337.db2.gz	QFJCOLLCUPTBTA-MOROJQBDSA-N	-1	0	472.552	0.845	50	0		JCAARM
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)[O-])O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000239433996	570052457	/nfs/dbraw/zinc/05/24/57/570052457.db2.gz	YWHNVIHLNZLULL-KYHREEPGSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)[O-])O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000239433997	570052470	/nfs/dbraw/zinc/05/24/70/570052470.db2.gz	YWHNVIHLNZLULL-QFCZJPRCSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccccc1C(=O)[O-]	ZINC000239433998	570052476	/nfs/dbraw/zinc/05/24/76/570052476.db2.gz	YWHNVIHLNZLULL-TWHPPBISSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccccc1C(=O)[O-]	ZINC000239433999	570052451	/nfs/dbraw/zinc/05/24/51/570052451.db2.gz	YWHNVIHLNZLULL-WVXKDWSHSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)[O-])cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000242574951	1069563701	/nfs/dbraw/zinc/56/37/01/1069563701.db2.gz	NLQCFUUQXJHDPI-KYHREEPGSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)[O-])cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000242574952	1069563707	/nfs/dbraw/zinc/56/37/07/1069563707.db2.gz	NLQCFUUQXJHDPI-QFCZJPRCSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000242574953	1069563782	/nfs/dbraw/zinc/56/37/82/1069563782.db2.gz	NLQCFUUQXJHDPI-TWHPPBISSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000242574954	1069563675	/nfs/dbraw/zinc/56/36/75/1069563675.db2.gz	NLQCFUUQXJHDPI-WVXKDWSHSA-N	-1	0	467.427	0.420	50	0		JCAARM
COc1c2c(cc3c1C[C@]1(C(=O)NC(=O)N(C)C1=O)[C@@H](c1c([O-])[nH]c(=O)n(C)c1=O)C3)OCO2	ZINC000245324826	570064053	/nfs/dbraw/zinc/06/40/53/570064053.db2.gz	ADKBAWJVGWFRBU-SXUOVDMSSA-N	-1	0	472.410	0.202	50	0		JCAARM
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000245325691	570064476	/nfs/dbraw/zinc/06/44/76/570064476.db2.gz	HIKJQYULTOCLOZ-KCYZZUKISA-N	-1	0	470.567	0.903	50	0		JCAARM
COc1cc2c(cc1OC)N1C(=O)C[C@H](OCC(=O)[O-])[C@H]3[C@@H]1[C@H]2[C@@]12CCN1C(=O)C(=O)[C@@H]3C2	ZINC000245380122	570067410	/nfs/dbraw/zinc/06/74/10/570067410.db2.gz	RXLPSBUAFKMRNI-AUXDRYJWSA-N	-1	0	456.451	0.566	50	0	biogenic	JCAARM
COc1cc2c(cc1OC)N1C(=O)C[C@H](OCC(=O)[O-])[C@H]3[C@H]1[C@H]2[C@@]12CCN1C(=O)C(=O)[C@@H]3C2	ZINC000245380123	570067473	/nfs/dbraw/zinc/06/74/73/570067473.db2.gz	RXLPSBUAFKMRNI-OVJRIHQNSA-N	-1	0	456.451	0.566	50	0	biogenic	JCAARM
COc1cc2c(cc1OC)N1C(=O)C[C@H](OCC(=O)[O-])[C@H]3[C@H]1[C@@H]2[C@@]12CCN1C(=O)C(=O)[C@@H]3C2	ZINC000245380125	570067449	/nfs/dbraw/zinc/06/74/49/570067449.db2.gz	RXLPSBUAFKMRNI-QTJYQMPNSA-N	-1	0	456.451	0.566	50	0	biogenic	JCAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000252694034	570094742	/nfs/dbraw/zinc/09/47/42/570094742.db2.gz	HIKJQYULTOCLOZ-JKQORVJESA-N	-1	0	470.567	0.903	50	0	biogenic	JCAARM
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)[O-])CC1	ZINC000252694035	570094678	/nfs/dbraw/zinc/09/46/78/570094678.db2.gz	HIKJQYULTOCLOZ-QBYUYEEZSA-N	-1	0	470.567	0.903	50	0	biogenic	JCAARM
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)[O-])CC1	ZINC000252695030	570095016	/nfs/dbraw/zinc/09/50/16/570095016.db2.gz	TYNZHTWVPXSMLI-FPCVCCKLSA-N	-1	0	468.551	0.753	50	0	biogenic	JCAARM
Nc1nonc1-n1nnc(C(=O)NN=C2c3ccccc3N(CC(=O)[O-])C2=O)c1-c1ccccc1	ZINC000253483612	570099561	/nfs/dbraw/zinc/09/95/61/570099561.db2.gz	BUFBIEBPOKSWGU-UHFFFAOYSA-N	-1	0	473.409	0.465	50	0		JCAARM
CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C(=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253497736	570100427	/nfs/dbraw/zinc/10/04/27/570100427.db2.gz	FAHIAWRPNJBFDP-UNJWAJPSSA-N	-1	0	468.411	0.847	50	0	biogenic	JCAARM
CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C(=O)[O-])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000253497740	570100413	/nfs/dbraw/zinc/10/04/13/570100413.db2.gz	FAHIAWRPNJBFDP-ZFORQUDYSA-N	-1	0	468.411	0.847	50	0	biogenic	JCAARM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O	ZINC000253595527	570104059	/nfs/dbraw/zinc/10/40/59/570104059.db2.gz	FQYGGFDZJFIDPU-DGBCZISISA-N	-1	0	464.511	0.497	50	0		JCAARM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O	ZINC000253595528	570104068	/nfs/dbraw/zinc/10/40/68/570104068.db2.gz	FQYGGFDZJFIDPU-RULGTRNQSA-N	-1	0	464.511	0.497	50	0		JCAARM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C[C@@H](O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2O	ZINC000253595529	570104091	/nfs/dbraw/zinc/10/40/91/570104091.db2.gz	FQYGGFDZJFIDPU-VLNWARCZSA-N	-1	0	464.511	0.497	50	0		JCAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@H]2O	ZINC000253615052	570105009	/nfs/dbraw/zinc/10/50/09/570105009.db2.gz	UZKIAJMSMKLBQE-GABMBBDDSA-N	-1	0	464.511	0.145	50	0		JCAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@H]2O	ZINC000253615053	570105007	/nfs/dbraw/zinc/10/50/07/570105007.db2.gz	UZKIAJMSMKLBQE-LBPMVPHNSA-N	-1	0	464.511	0.145	50	0		JCAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@@H]2O	ZINC000253615054	570105006	/nfs/dbraw/zinc/10/50/06/570105006.db2.gz	UZKIAJMSMKLBQE-PGGHDUDCSA-N	-1	0	464.511	0.145	50	0		JCAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O	ZINC000253615055	570104987	/nfs/dbraw/zinc/10/49/87/570104987.db2.gz	UZKIAJMSMKLBQE-YGGKHWISSA-N	-1	0	464.511	0.145	50	0		JCAARM
CS(=O)(=O)c1ccc(C(=O)C2=C([O-])[C@@H](O)C[C@@H](O)C2=O)c(Cl)c1COCC(F)(F)F	ZINC000257355045	570153398	/nfs/dbraw/zinc/15/33/98/570153398.db2.gz	KGPIRVWYAUCFAI-IAZYJMLFSA-N	-1	0	472.821	0.885	50	0		JCAARM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCCNC(N)=N[N+](=O)[O-])C(=O)[O-]	ZINC000257358037	570153699	/nfs/dbraw/zinc/15/36/99/570153699.db2.gz	RICIHPWBVUXZED-CABCVRRESA-N	-1	0	452.468	0.593	50	0		JCAARM
COc1ccc([C@@H](CC(=O)NCCS(N)(=O)=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585048	570170785	/nfs/dbraw/zinc/17/07/85/570170785.db2.gz	DNNOPYKUZJNJQC-CYBMUJFWSA-N	-1	0	470.500	0.606	50	0	biogenic	JCAARM
COc1ccc([C@H](CC(=O)NCCS(N)(=O)=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585049	570170841	/nfs/dbraw/zinc/17/08/41/570170841.db2.gz	DNNOPYKUZJNJQC-ZDUSSCGKSA-N	-1	0	470.500	0.606	50	0	biogenic	JCAARM
CC(=O)N[C@@H]1[C@H](Oc2cccc(C(=O)[O-])c2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334161503	570184874	/nfs/dbraw/zinc/18/48/74/570184874.db2.gz	ZXRARLHLTDZJSY-KYHREEPGSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@@H]1[C@H](Oc2cccc(C(=O)[O-])c2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000334161506	570184877	/nfs/dbraw/zinc/18/48/77/570184877.db2.gz	ZXRARLHLTDZJSY-QFCZJPRCSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1cccc(C(=O)[O-])c1	ZINC000334161509	570184849	/nfs/dbraw/zinc/18/48/49/570184849.db2.gz	ZXRARLHLTDZJSY-TWHPPBISSA-N	-1	0	467.427	0.420	50	0		JCAARM
CC(=O)N[C@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1Oc1cccc(C(=O)[O-])c1	ZINC000334161510	570184889	/nfs/dbraw/zinc/18/48/89/570184889.db2.gz	ZXRARLHLTDZJSY-WVXKDWSHSA-N	-1	0	467.427	0.420	50	0		JCAARM
Cc1c(C)[n+]([O-])c([C@H](c2ccc(OC(F)(F)F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524733380	1070224474	/nfs/dbraw/zinc/22/44/74/1070224474.db2.gz	MMUGYPHTFPMMCM-CYBMUJFWSA-N	-1	0	456.377	0.743	50	0		JCAARM
Cc1c(C)[n+]([O-])c([C@@H](c2ccc(OC(F)(F)F)cc2)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524733381	1070224307	/nfs/dbraw/zinc/22/43/07/1070224307.db2.gz	MMUGYPHTFPMMCM-ZDUSSCGKSA-N	-1	0	456.377	0.743	50	0		JCAARM
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