smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1	ZINC000013059504	462883491	/nfs/dbraw/zinc/88/34/91/462883491.db2.gz	IGWBNPXVOUOPAG-UHFFFAOYSA-N	-2	0	339.300	2.023	50	0		EEAARL
O=C([N-]Cc1ccco1)C(F)(F)C(F)(F)C(=O)[N-]Cc1ccco1	ZINC000002765408	462601734	/nfs/dbraw/zinc/60/17/34/462601734.db2.gz	JULQDLLOIZGBKP-UHFFFAOYSA-N	-2	0	348.252	2.076	50	0		EEAARL
COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OC)c1	ZINC000013169181	207370176	/nfs/dbraw/zinc/37/01/76/207370176.db2.gz	GJNBMGAKFTTWDW-UHFFFAOYSA-N	-2	0	345.307	2.353	50	0		EEAARL
O=C([O-])CCCC(=O)Nc1ccc(Br)cc1C(=O)[O-]	ZINC000002849866	462605741	/nfs/dbraw/zinc/60/57/41/462605741.db2.gz	SDXBZFGZWUVVDZ-UHFFFAOYSA-N	-2	0	330.134	2.341	50	0		EEAARL
COc1ccccc1CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004670525	462635807	/nfs/dbraw/zinc/63/58/07/462635807.db2.gz	YQEYRQAGQXIDME-UHFFFAOYSA-N	-2	0	329.308	2.273	50	0		EEAARL
COc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000026546790	463166732	/nfs/dbraw/zinc/16/67/32/463166732.db2.gz	GVOTYBHVMKJZPU-UHFFFAOYSA-N	-2	0	331.346	2.395	50	0		EEAARL
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])cc(C)oc1=O	ZINC000218005663	241289313	/nfs/dbraw/zinc/28/93/13/241289313.db2.gz	VWFSUIYOGQIHJB-GFCCVEGCSA-N	-2	0	332.308	2.047	50	0	biogenic	EEAARL
O=C([O-])c1cc(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])ccc1O	ZINC000006057647	304225992	/nfs/dbraw/zinc/22/59/92/304225992.db2.gz	FGQOAIHSYBKTCG-UWVGGRQHSA-N	-2	0	339.731	2.262	50	0		EEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c1	ZINC000003893928	462626909	/nfs/dbraw/zinc/62/69/09/462626909.db2.gz	JAUVQIFUCHAVNV-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
CC(=O)Nc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])cc1	ZINC000004907258	462641262	/nfs/dbraw/zinc/64/12/62/462641262.db2.gz	LMVFUHMACXARBS-UHFFFAOYSA-N	-2	0	342.307	2.294	50	0		EEAARL
COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000023804743	212396407	/nfs/dbraw/zinc/39/64/07/212396407.db2.gz	IJHDQYCDLSMDDA-UHFFFAOYSA-N	-2	0	341.366	2.034	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccccc1C(=O)[O-]	ZINC000071281461	203090043	/nfs/dbraw/zinc/09/00/43/203090043.db2.gz	AMDCSGSOJRQFBC-UHFFFAOYSA-N	-2	0	329.308	2.273	50	0		EEAARL
COc1ccc(-c2nn(CCC(=O)[O-])cc2/C=C/C(=O)[O-])cc1OC	ZINC000003272946	1202516059	/nfs/dbraw/zinc/51/60/59/1202516059.db2.gz	AYIYCVVLVXCPMN-GQCTYLIASA-N	-2	0	346.339	2.140	50	0		EEAARL
O=C([O-])CC[C@H](NC(=O)c1ccccc1SC(F)F)C(=O)[O-]	ZINC000008756620	304061704	/nfs/dbraw/zinc/06/17/04/304061704.db2.gz	RPHRYROVSWDATH-QMMMGPOBSA-N	-2	0	333.312	2.049	50	0		EEAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1ccc(Cl)cc1	ZINC000009303365	211063450	/nfs/dbraw/zinc/06/34/50/211063450.db2.gz	BSKIPFBCVRQDNM-UHFFFAOYSA-N	-2	0	341.687	2.161	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cn1	ZINC000012605383	462860107	/nfs/dbraw/zinc/86/01/07/462860107.db2.gz	PXOHBWMGZIPXIB-UHFFFAOYSA-N	-2	0	342.760	2.243	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000005720879	210524181	/nfs/dbraw/zinc/52/41/81/210524181.db2.gz	OLUUFCIFDSHTRH-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1	ZINC000000990490	462574489	/nfs/dbraw/zinc/57/44/89/462574489.db2.gz	WKUKGFFXIPCSTA-UHFFFAOYSA-N	-2	0	349.364	2.397	50	0		EEAARL
CS[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H]3C2C2[C@@H]1C=C[C@@H]2[C@@]3(SC)C(=O)[O-]	ZINC000101921305	463383757	/nfs/dbraw/zinc/38/37/57/463383757.db2.gz	UCPYDHVOVIYEPX-WKSQYMQMSA-N	-2	0	338.450	2.223	50	0		EEAARL
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000071286856	463413844	/nfs/dbraw/zinc/41/38/44/463413844.db2.gz	WAAVDVOKUUWFMR-CHWSQXEVSA-N	-2	0	335.356	2.467	50	0		EEAARL
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)[O-])c1	ZINC000004756945	210272002	/nfs/dbraw/zinc/27/20/02/210272002.db2.gz	KPRBESRCFSOGCM-UHFFFAOYSA-N	-2	0	339.300	2.023	50	0		EEAARL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1C(=O)[O-]	ZINC000000225924	304230118	/nfs/dbraw/zinc/23/01/18/304230118.db2.gz	LFBALUPVVFCEPA-UHFFFAOYSA-N	-4	0	330.248	2.146	50	0		EEAARL
O=C([O-])c1ccc(COc2ccccc2/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000000072298	462541437	/nfs/dbraw/zinc/54/14/37/462541437.db2.gz	FCZJIYUPTZZBCI-NTEUORMPSA-N	-2	0	338.319	2.144	50	0		EEAARL
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000004593427	210229465	/nfs/dbraw/zinc/22/94/65/210229465.db2.gz	FHRXRYXGZNYBQN-UHFFFAOYSA-N	-2	0	339.344	2.262	50	0		EEAARL
O=C([O-])c1cc(C(=O)c2ccccc2[O-])c(=O)[nH]c1C(F)(F)F	ZINC000008873716	211014468	/nfs/dbraw/zinc/01/44/68/211014468.db2.gz	ZKWWYVBKQQWTPX-UHFFFAOYSA-N	-2	0	327.214	2.441	50	0		EEAARL
CCOC(=O)C(C)=C([O-])c1ccc(C([O-])=C(C)C(=O)OCC)cc1	ZINC000004105440	210120778	/nfs/dbraw/zinc/12/07/78/210120778.db2.gz	MVMJXBOQZZRAEB-RYUDHWBXSA-N	-2	0	334.368	2.450	50	0		EEAARL
O=C([O-])CCC(=O)Nc1ccc(NCc2cccnc2)c(C(=O)[O-])c1	ZINC000005094709	210388342	/nfs/dbraw/zinc/38/83/42/210388342.db2.gz	JFAMOVDCBZAKMI-UHFFFAOYSA-N	-2	0	343.339	2.195	50	0		EEAARL
O=C([O-])CC[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-]	ZINC000012809951	211463293	/nfs/dbraw/zinc/46/32/93/211463293.db2.gz	GIVAIAGDAIISGL-NSHDSACASA-N	-2	0	339.413	2.455	50	0		EEAARL
O=C([O-])CCCCNS(=O)(=O)c1ccccc1C(F)(F)F	ZINC000001795937	462588114	/nfs/dbraw/zinc/58/81/14/462588114.db2.gz	FTTLSYFRAFODCG-UHFFFAOYSA-N	-2	0	325.308	2.239	50	0	biogenic	EEAARL
CC(=O)Nc1ccc(C(=O)c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000000258716	209506962	/nfs/dbraw/zinc/50/69/62/209506962.db2.gz	LFGYBDPQUMIUJF-UHFFFAOYSA-N	-2	0	327.292	2.272	50	0		EEAARL
O=C([O-])C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(F)c1	ZINC000072401311	304081678	/nfs/dbraw/zinc/08/16/78/304081678.db2.gz	IMMXPNJSCCQRJA-HNNXBMFYSA-N	-2	0	345.326	2.399	50	0		EEAARL
COc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000007053014	462720178	/nfs/dbraw/zinc/72/01/78/462720178.db2.gz	UHTUMYMHTFQPMN-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-]	ZINC000013343848	462890917	/nfs/dbraw/zinc/89/09/17/462890917.db2.gz	MJBDFVFYMJGSSQ-UHFFFAOYSA-N	-2	0	335.337	2.192	50	0		EEAARL
COc1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(OC)c2O)c1O	ZINC000002038870	209812975	/nfs/dbraw/zinc/81/29/75/209812975.db2.gz	QGCWGSXMGCSFDM-UHFFFAOYSA-N	-2	0	334.280	2.178	50	0	in-vitro	EEAARL
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000071286857	215755450	/nfs/dbraw/zinc/75/54/50/215755450.db2.gz	WAAVDVOKUUWFMR-STQMWFEESA-N	-2	0	335.356	2.467	50	0		EEAARL
COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000020130167	212104311	/nfs/dbraw/zinc/10/43/11/212104311.db2.gz	JUYPNIPDNHRJJH-UHFFFAOYSA-N	-2	0	341.366	2.034	50	0		EEAARL
O=C([O-])CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3	ZINC000002974125	462608956	/nfs/dbraw/zinc/60/89/56/462608956.db2.gz	ZEKBCNKAPVOMFN-UHFFFAOYSA-N	-2	0	336.369	2.433	50	0		EEAARL
CCOc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)[O-]	ZINC000013747451	462903051	/nfs/dbraw/zinc/90/30/51/462903051.db2.gz	BUEVOSZGXCWTQG-ONEGZZNKSA-N	-2	0	345.145	2.409	50	0		EEAARL
O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000005133411	210396368	/nfs/dbraw/zinc/39/63/68/210396368.db2.gz	QTJDJSMQDMTFCN-UHFFFAOYSA-N	-2	0	349.364	2.203	50	0		EEAARL
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000005027953	210367414	/nfs/dbraw/zinc/36/74/14/210367414.db2.gz	QBXLRDDXGGQAPR-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
CC(=O)Nc1ccc(C(=O)[O-])c(C(=O)c2ccc(N(C)C)cc2[O-])c1	ZINC000002387111	462593041	/nfs/dbraw/zinc/59/30/41/462593041.db2.gz	WCNJYYOJSXOYND-UHFFFAOYSA-N	-2	0	342.351	2.346	50	0	in-vitro	EEAARL
O=C([O-])CC[C@@H](NC(=O)c1ccccc1SC(F)F)C(=O)[O-]	ZINC000014092955	304058324	/nfs/dbraw/zinc/05/83/24/304058324.db2.gz	RPHRYROVSWDATH-MRVPVSSYSA-N	-2	0	333.312	2.049	50	0		EEAARL
O=C([O-])c1cc(NS(=O)(=O)/C=C/c2ccccc2)cc(C(=O)[O-])c1	ZINC000000087187	209410611	/nfs/dbraw/zinc/41/06/11/209410611.db2.gz	PIVKKOHQYLJNQI-VOTSOKGWSA-N	-2	0	347.348	2.496	50	0		EEAARL
COC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cc(C(=O)OC)c1[O-]	ZINC000008941580	211021141	/nfs/dbraw/zinc/02/11/41/211021141.db2.gz	FOOJFVNMWAAFPP-UHFFFAOYSA-N	-2	0	348.282	2.041	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2	ZINC000026543473	463166751	/nfs/dbraw/zinc/16/67/51/463166751.db2.gz	SKDUFZFOSPZERH-UHFFFAOYSA-N	-2	0	349.364	2.129	50	0		EEAARL
CS[C@@]1(C(=O)[O-])[C@@H]2C=C[C@H]3[C@H]2[C@H]2[C@@H]1C=C[C@@H]2[C@@]3(SC)C(=O)[O-]	ZINC000257358410	463789364	/nfs/dbraw/zinc/78/93/64/463789364.db2.gz	UCPYDHVOVIYEPX-NPRLEMAOSA-N	-2	0	338.450	2.223	50	0		EEAARL
O=C([O-])c1cc(NC(=O)CSc2ccccn2)cc(C(=O)[O-])c1	ZINC000000095816	462541892	/nfs/dbraw/zinc/54/18/92/462541892.db2.gz	SCQNINCLAWKPTM-UHFFFAOYSA-N	-2	0	332.337	2.209	50	0		EEAARL
O=C([O-])[C@H](Cc1ccc2c(c1)oc1ccccc12)NC[P@](=O)([O-])O	ZINC000003981918	210097829	/nfs/dbraw/zinc/09/78/29/210097829.db2.gz	CRUVAUSVWLATAE-ZDUSSCGKSA-N	-3	0	349.279	2.307	50	0	in-vitro	EEAARL
O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000034751368	304223626	/nfs/dbraw/zinc/22/36/26/304223626.db2.gz	QURGMSIQFRADOZ-UHFFFAOYSA-N	-4	0	330.248	2.146	50	0		EEAARL
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1OC	ZINC000000267725	462552799	/nfs/dbraw/zinc/55/27/99/462552799.db2.gz	GIWYBCYKWNZZNG-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004695743	210250914	/nfs/dbraw/zinc/25/09/14/210250914.db2.gz	RXUKQBFAFHVRCV-SNVBAGLBSA-N	-2	0	329.308	2.489	50	0		EEAARL
O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc(C(=O)[O-])cc1)C2	ZINC000072424895	216214563	/nfs/dbraw/zinc/21/45/63/216214563.db2.gz	HTBUPSQQLZHLCI-UHFFFAOYSA-N	-2	0	343.383	2.004	50	0		EEAARL
O=C([O-])CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1	ZINC000005059988	210378801	/nfs/dbraw/zinc/37/88/01/210378801.db2.gz	QQCXBAZLXALQHQ-UHFFFAOYSA-N	-2	0	336.344	2.073	50	0		EEAARL
Cn1nc(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1C(=O)[O-]	ZINC000002727236	303043155	/nfs/dbraw/zinc/04/31/55/303043155.db2.gz	JGEFBCMRZRYLBE-UHFFFAOYSA-N	-2	0	349.368	2.009	50	0		EEAARL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C	ZINC000006509700	462688510	/nfs/dbraw/zinc/68/85/10/462688510.db2.gz	ZNMPAFLEKZONSP-UHFFFAOYSA-N	-2	0	337.401	2.153	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1	ZINC000006509966	462688366	/nfs/dbraw/zinc/68/83/66/462688366.db2.gz	JDBCBPFMYPENBM-UHFFFAOYSA-N	-2	0	347.352	2.071	50	0		EEAARL
CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000015243262	462944269	/nfs/dbraw/zinc/94/42/69/462944269.db2.gz	BBZQPQWSDIGRHZ-UHFFFAOYSA-N	-2	0	340.382	2.206	50	0		EEAARL
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(C)CC(=O)[O-])c1	ZINC000000147856	462543355	/nfs/dbraw/zinc/54/33/55/462543355.db2.gz	DWJNCJIHIDFWQU-UHFFFAOYSA-N	-2	0	343.401	2.015	50	0		EEAARL
Cc1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])cc1C	ZINC000009418961	462801911	/nfs/dbraw/zinc/80/19/11/462801911.db2.gz	MHFKWXBYNDBZTK-UHFFFAOYSA-N	-2	0	335.296	2.124	50	0		EEAARL
O=C([O-])c1ccccc1NC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000004084036	304270282	/nfs/dbraw/zinc/27/02/82/304270282.db2.gz	KCRFEJFBJTXEKG-HNNXBMFYSA-N	-2	0	340.335	2.428	50	0	biogenic	EEAARL
COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000007057324	462719935	/nfs/dbraw/zinc/71/99/35/462719935.db2.gz	SCZRZAIRJICJCS-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
O=C([O-])CSc1cc(-c2ccccc2)nc(SCC(=O)[O-])n1	ZINC000002497769	462593454	/nfs/dbraw/zinc/59/34/54/462593454.db2.gz	YXRSGGUGXBFALF-UHFFFAOYSA-N	-2	0	336.394	2.497	50	0		EEAARL
O=C([O-])CCc1nnc(SCc2ccccc2Cl)[n-]c1=O	ZINC000004317173	462630221	/nfs/dbraw/zinc/63/02/21/462630221.db2.gz	QOELUWRVGIRELM-UHFFFAOYSA-N	-2	0	325.777	2.128	50	0		EEAARL
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc(OC)c1	ZINC000015243524	462944582	/nfs/dbraw/zinc/94/45/82/462944582.db2.gz	JOOGCVIHHFAGGX-UHFFFAOYSA-N	-2	0	343.382	2.264	50	0		EEAARL
O=C([O-])CCCNC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095353168	463066882	/nfs/dbraw/zinc/06/68/82/463066882.db2.gz	DKPSYWRWKRZABC-CQSZACIVSA-N	-2	0	334.372	2.139	50	0		EEAARL
O=C([O-])c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1	ZINC000004061620	462627454	/nfs/dbraw/zinc/62/74/54/462627454.db2.gz	CITKCWHCXLGAOB-AWEZNQCLSA-N	-2	0	328.324	2.202	50	0	biogenic	EEAARL
Cc1ccc(C(=O)[O-])cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000005023522	462644292	/nfs/dbraw/zinc/64/42/92/462644292.db2.gz	NUKXQFAUMRHLHY-UHFFFAOYSA-N	-2	0	325.276	2.192	50	0		EEAARL
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C	ZINC000071286859	203090984	/nfs/dbraw/zinc/09/09/84/203090984.db2.gz	WAAVDVOKUUWFMR-OLZOCXBDSA-N	-2	0	335.356	2.467	50	0		EEAARL
O=C([O-])c1cc(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])ccc1O	ZINC000006057650	304226089	/nfs/dbraw/zinc/22/60/89/304226089.db2.gz	FGQOAIHSYBKTCG-ZJUUUORDSA-N	-2	0	339.731	2.262	50	0		EEAARL
COc1cccc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000004600262	201607696	/nfs/dbraw/zinc/60/76/96/201607696.db2.gz	SMIAOBMUCPAGIT-UHFFFAOYSA-N	-2	0	345.307	2.109	50	0		EEAARL
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000000508311	301687858	/nfs/dbraw/zinc/68/78/58/301687858.db2.gz	CKRMKORYFPCDNB-UHFFFAOYSA-N	-2	0	334.353	2.204	50	0		EEAARL
Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)sc1C(=O)[O-]	ZINC000032926328	212873665	/nfs/dbraw/zinc/87/36/65/212873665.db2.gz	BNQYEQLFHDLBTB-UHFFFAOYSA-N	-3	0	341.366	2.254	50	0		EEAARL
O=C([O-])C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-]	ZINC000008768914	211002413	/nfs/dbraw/zinc/00/24/13/211002413.db2.gz	ZJGGOEPENRQAJI-JTQLQIEISA-N	-2	0	337.328	2.212	50	0		EEAARL
O=C([O-])c1cc(C(=O)[O-])n(Cc2ccc(Br)cc2)n1	ZINC000004852697	210300945	/nfs/dbraw/zinc/30/09/45/210300945.db2.gz	AMXDPSDAJAVWOU-UHFFFAOYSA-N	-2	0	325.118	2.090	50	0		EEAARL
COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc(OC)c1	ZINC000001926221	462587583	/nfs/dbraw/zinc/58/75/83/462587583.db2.gz	QCWPZRFXGVZWKY-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
O=C([O-])c1cc(NS(=O)(=O)/C=C\c2ccccc2)cc(C(=O)[O-])c1	ZINC000005881824	462670989	/nfs/dbraw/zinc/67/09/89/462670989.db2.gz	PIVKKOHQYLJNQI-SREVYHEPSA-N	-2	0	347.348	2.496	50	0		EEAARL
CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000037414735	213145718	/nfs/dbraw/zinc/14/57/18/213145718.db2.gz	YROJXVUIZUCNDV-UHFFFAOYSA-N	-2	0	325.367	2.450	50	0		EEAARL
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000012536045	258054688	/nfs/dbraw/zinc/05/46/88/258054688.db2.gz	XSDMAORUSFTJIR-UHFFFAOYSA-N	-2	0	339.300	2.023	50	0		EEAARL
COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000013464168	462892677	/nfs/dbraw/zinc/89/26/77/462892677.db2.gz	SPFKLWOCXLPDNT-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
O=C([O-])Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000008733388	462792934	/nfs/dbraw/zinc/79/29/34/462792934.db2.gz	VYKNVTMKXLMFLJ-UHFFFAOYSA-N	-2	0	332.790	2.224	50	0		EEAARL
CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C	ZINC000071286854	463413388	/nfs/dbraw/zinc/41/33/88/463413388.db2.gz	WAAVDVOKUUWFMR-QWHCGFSZSA-N	-2	0	335.356	2.467	50	0		EEAARL
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000003149443	462611129	/nfs/dbraw/zinc/61/11/29/462611129.db2.gz	BFTMIZOGZLOCHT-UHFFFAOYSA-N	-2	0	335.337	2.192	50	0		EEAARL
O=C([O-])c1cc(NN=C2C(=O)C=Cc3ccccc32)cc(C(=O)[O-])c1	ZINC000005445268	1204308297	/nfs/dbraw/zinc/30/82/97/1204308297.db2.gz	YGUKOOHTQYSNIL-UHFFFAOYSA-N	-2	0	336.303	2.495	50	0		EEAARL
COc1cc(/C=C/C(=O)[O-])cc(Br)c1OCC(=O)[O-]	ZINC000013747384	462904008	/nfs/dbraw/zinc/90/40/08/462904008.db2.gz	LHASYDQCYFUWBS-NSCUHMNNSA-N	-2	0	331.118	2.019	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000000033322	462539881	/nfs/dbraw/zinc/53/98/81/462539881.db2.gz	BHQCRNXXUDLPHR-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1	ZINC000028498234	463227556	/nfs/dbraw/zinc/22/75/56/463227556.db2.gz	DRQHDQGDYKEBRU-UHFFFAOYSA-N	-2	0	342.760	2.243	50	0		EEAARL
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(=O)[O-]	ZINC000003855902	210081066	/nfs/dbraw/zinc/08/10/66/210081066.db2.gz	WGLNOANVNQDXHU-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
O=C([O-])c1cc(NC(=O)c2ccccc2C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004956086	210339043	/nfs/dbraw/zinc/33/90/43/210339043.db2.gz	OBZXPANFTIVLCH-UHFFFAOYSA-N	-3	0	329.264	2.034	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1	ZINC000013278606	462888749	/nfs/dbraw/zinc/88/87/49/462888749.db2.gz	INHQZPQVWVWRSL-UHFFFAOYSA-N	-2	0	343.307	2.472	50	0		EEAARL
COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1	ZINC000013358513	462890910	/nfs/dbraw/zinc/89/09/10/462890910.db2.gz	UVRCRWRWBXXSKV-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004695742	210250387	/nfs/dbraw/zinc/25/03/87/210250387.db2.gz	RXUKQBFAFHVRCV-JTQLQIEISA-N	-2	0	329.308	2.489	50	0		EEAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1cccc(Cl)c1	ZINC000009419213	211081047	/nfs/dbraw/zinc/08/10/47/211081047.db2.gz	FTNJLVOFZPLMJE-UHFFFAOYSA-N	-2	0	341.687	2.161	50	0	in-vitro	EEAARL
COc1ccc(NC(=O)c2cc(C(=O)[O-])ccc2C(=O)[O-])c(OC)c1	ZINC000000172389	462545366	/nfs/dbraw/zinc/54/53/66/462545366.db2.gz	ZNFIEBDNDBWOQT-UHFFFAOYSA-N	-2	0	345.307	2.353	50	0		EEAARL
Cc1c(O[C@@H](C)C(=O)[O-])ccc2c(C)c(CCC(=O)[O-])c(=O)oc12	ZINC000005546283	210486327	/nfs/dbraw/zinc/48/63/27/210486327.db2.gz	TWYZQURYLMHLIG-JTQLQIEISA-N	-2	0	334.324	2.279	50	0		EEAARL
CCOc1cc(/C=C/C(=O)[O-])c(Br)cc1OCC(=O)[O-]	ZINC000013747621	211631889	/nfs/dbraw/zinc/63/18/89/211631889.db2.gz	SIXQMKHKQSTPTA-ONEGZZNKSA-N	-2	0	345.145	2.409	50	0		EEAARL
COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1	ZINC000007056437	208578943	/nfs/dbraw/zinc/57/89/43/208578943.db2.gz	GLQGNIHBOLIEGH-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1O	ZINC000000271805	462552855	/nfs/dbraw/zinc/55/28/55/462552855.db2.gz	WFTUUWKAXAQJQI-UHFFFAOYSA-N	-2	0	344.348	2.439	50	0		EEAARL
Cc1cccc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000013169284	462887017	/nfs/dbraw/zinc/88/70/17/462887017.db2.gz	KVDDLJHAIOBHEW-UHFFFAOYSA-N	-2	0	329.308	2.409	50	0		EEAARL
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000004660795	210240331	/nfs/dbraw/zinc/24/03/31/210240331.db2.gz	DSWIWOPPAPZZPZ-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
O=S(=O)([O-])c1ccc(Sc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000001561847	462583772	/nfs/dbraw/zinc/58/37/72/462583772.db2.gz	MSSOQDMBUKCNTK-UHFFFAOYSA-N	-2	0	346.407	2.331	50	0		EEAARL
O=S(=O)([O-])c1cccc2c1Oc1c(cccc1S(=O)(=O)[O-])O2	ZINC000004127825	462627330	/nfs/dbraw/zinc/62/73/30/462627330.db2.gz	UVPQSVSCMZODMK-UHFFFAOYSA-N	-2	0	344.322	2.078	50	0		EEAARL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C(C)(C)C)c1	ZINC000065833930	462831967	/nfs/dbraw/zinc/83/19/67/462831967.db2.gz	GCOPFPMWYPEMMB-UHFFFAOYSA-N	-2	0	337.401	2.446	50	0		EEAARL
O=C([N-]Cc1ccc(C[N-]C(=O)C(F)(F)F)cc1)C(F)(F)F	ZINC000003022453	209954711	/nfs/dbraw/zinc/95/47/11/209954711.db2.gz	WCEYYOFWEXSSQI-UHFFFAOYSA-N	-2	0	328.212	2.044	50	0		EEAARL
O=C([O-])c1cc(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])ccc1O	ZINC000006057644	304226096	/nfs/dbraw/zinc/22/60/96/304226096.db2.gz	FGQOAIHSYBKTCG-NXEZZACHSA-N	-2	0	339.731	2.262	50	0		EEAARL
O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000005133355	210396573	/nfs/dbraw/zinc/39/65/73/210396573.db2.gz	APTJJIWQPRLRGA-UHFFFAOYSA-N	-2	0	349.364	2.203	50	0		EEAARL
COc1ccc(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c(OC)c1	ZINC000000168141	462545421	/nfs/dbraw/zinc/54/54/21/462545421.db2.gz	BLMGHTRZSFKFDP-UHFFFAOYSA-N	-2	0	345.307	2.353	50	0		EEAARL
O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12	ZINC000072008176	463479076	/nfs/dbraw/zinc/47/90/76/463479076.db2.gz	JPFXXWFOPFZXPD-UHFFFAOYSA-N	-2	0	335.316	2.201	50	0		EEAARL
CSc1ccc(Cl)c(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000008762438	211001287	/nfs/dbraw/zinc/00/12/87/211001287.db2.gz	GWJIQNHSBYLZER-JTQLQIEISA-N	-2	0	331.777	2.110	50	0		EEAARL
Cc1c(O[C@H](C)C(=O)[O-])ccc2c(C)c(CCC(=O)[O-])c(=O)oc12	ZINC000005546284	462662240	/nfs/dbraw/zinc/66/22/40/462662240.db2.gz	TWYZQURYLMHLIG-SNVBAGLBSA-N	-2	0	334.324	2.279	50	0		EEAARL
Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1	ZINC000012605779	462859683	/nfs/dbraw/zinc/85/96/83/462859683.db2.gz	CAEASWFYGLSZOW-UHFFFAOYSA-N	-2	0	343.792	2.189	50	0		EEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1	ZINC000004660881	210239639	/nfs/dbraw/zinc/23/96/39/210239639.db2.gz	OPOIXGJGFLRHAS-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
O=C([O-])C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000072402056	304073803	/nfs/dbraw/zinc/07/38/03/304073803.db2.gz	ZJLBHIGPLCAOHI-OAHLLOKOSA-N	-2	0	345.326	2.399	50	0		EEAARL
COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000015244848	462944467	/nfs/dbraw/zinc/94/44/67/462944467.db2.gz	RNVNVVCWLQNQKG-UHFFFAOYSA-N	-2	0	347.395	2.095	50	0		EEAARL
COc1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004724451	210259813	/nfs/dbraw/zinc/25/98/13/210259813.db2.gz	DTXIBNSMQBFNLR-UHFFFAOYSA-N	-2	0	345.307	2.109	50	0		EEAARL
O=C([O-])c1ccc(NC(=O)CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000003881508	210083303	/nfs/dbraw/zinc/08/33/03/210083303.db2.gz	NPCIOPZZQQSOPU-UHFFFAOYSA-N	-2	0	342.307	2.050	50	0	in-vitro	EEAARL
O=C([O-])CSc1cc(C(F)(F)F)cc(SCC(=O)[O-])n1	ZINC000043179056	463627400	/nfs/dbraw/zinc/62/74/00/463627400.db2.gz	NXGSRYMSESIVOQ-UHFFFAOYSA-N	-2	0	327.305	2.454	50	0		EEAARL
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c1	ZINC000004877462	210310071	/nfs/dbraw/zinc/31/00/71/210310071.db2.gz	BUYAUOLVAJPIKP-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0	biogenic	EEAARL
O=C([O-])CC[C@@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)[O-]	ZINC000012809947	462869622	/nfs/dbraw/zinc/86/96/22/462869622.db2.gz	GIVAIAGDAIISGL-LLVKDONJSA-N	-2	0	339.413	2.455	50	0		EEAARL
CS[C@@]1(C(=O)[O-])[C@@H]2C=C[C@@H]3[C@H]2[C@@H]2[C@@H](C=C[C@@H]21)[C@@]3(SC)C(=O)[O-]	ZINC000257358408	463788972	/nfs/dbraw/zinc/78/89/72/463788972.db2.gz	UCPYDHVOVIYEPX-GPXIYRNTSA-N	-2	0	338.450	2.223	50	0		EEAARL
O=C([O-])CC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC000008756623	211000935	/nfs/dbraw/zinc/00/09/35/211000935.db2.gz	UJQZZAQUNGFQML-NSHDSACASA-N	-2	0	335.287	2.134	50	0		EEAARL
COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000000467095	462564605	/nfs/dbraw/zinc/56/46/05/462564605.db2.gz	TYZXWGKLDYCGBM-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
CC(=O)Nc1ccc(C(=O)c2ccc(N(C)C)cc2[O-])c(C(=O)[O-])c1	ZINC000002387109	462592156	/nfs/dbraw/zinc/59/21/56/462592156.db2.gz	RLVHXZUZNQEOCM-UHFFFAOYSA-N	-2	0	342.351	2.346	50	0	in-vitro	EEAARL
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1	ZINC000024425433	463084771	/nfs/dbraw/zinc/08/47/71/463084771.db2.gz	TVTVRCKNEJAQQR-UHFFFAOYSA-N	-2	0	345.380	2.381	50	0		EEAARL
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000035335125	202299605	/nfs/dbraw/zinc/29/96/05/202299605.db2.gz	QKWZAIUGPDSSJR-UHFFFAOYSA-N	-2	0	349.364	2.362	50	0		EEAARL
O=C([O-])c1ccc(NC(=O)c2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1	ZINC000000068737	201430217	/nfs/dbraw/zinc/43/02/17/201430217.db2.gz	MMVZFNAEVYTFQB-UHFFFAOYSA-N	-3	0	329.264	2.034	50	0		EEAARL
O=C([O-])C[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C(=O)[O-]	ZINC000008768917	462796438	/nfs/dbraw/zinc/79/64/38/462796438.db2.gz	ZJGGOEPENRQAJI-SNVBAGLBSA-N	-2	0	337.328	2.212	50	0		EEAARL
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])cc(C)oc1=O	ZINC000218005740	536313466	/nfs/dbraw/zinc/31/34/66/536313466.db2.gz	VWFSUIYOGQIHJB-LBPRGKRZSA-N	-2	0	332.308	2.047	50	0	biogenic	EEAARL
Cc1cc([O-])c(C(c2ccncc2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000006266051	205805330	/nfs/dbraw/zinc/80/53/30/205805330.db2.gz	QSGARKOPVPYKEE-UHFFFAOYSA-N	-2	0	341.319	2.196	50	0		EEAARL
COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1S(=O)(=O)[O-]	ZINC000095641930	463109310	/nfs/dbraw/zinc/10/93/10/463109310.db2.gz	BANYZHVPBUALPV-UHFFFAOYSA-N	-2	0	348.332	2.421	50	0		EEAARL
O=C([O-])CC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000003117854	462611298	/nfs/dbraw/zinc/61/12/98/462611298.db2.gz	WNURILRAGNSXEZ-HNNXBMFYSA-N	-2	0	341.363	2.253	50	0		EEAARL
CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000005186604	462648836	/nfs/dbraw/zinc/64/88/36/462648836.db2.gz	MZAWMKDHDPNIAO-UHFFFAOYSA-N	-2	0	342.307	2.294	50	0		EEAARL
O=C([O-])c1cc(NC(=O)Nc2ccc(O)c(C(=O)[O-])c2)ccc1O	ZINC000071770620	203111489	/nfs/dbraw/zinc/11/14/89/203111489.db2.gz	OBCPVSPBAJBCLP-UHFFFAOYSA-N	-2	0	332.268	2.138	50	0		EEAARL
COc1ccc(OCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000000509917	206239008	/nfs/dbraw/zinc/23/90/08/206239008.db2.gz	ZLIIPDMXKWKRMA-UHFFFAOYSA-N	-2	0	345.307	2.109	50	0		EEAARL
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1C(=O)[O-]	ZINC000738829142	578028051	/nfs/dbraw/zinc/02/80/51/578028051.db2.gz	LKDCREIBLOESCU-UHFFFAOYSA-N	-2	0	333.728	2.010	50	0		EEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c1	ZINC000015243067	211809491	/nfs/dbraw/zinc/80/94/91/211809491.db2.gz	AFGGDUFGDAHMEV-UHFFFAOYSA-N	-2	0	341.366	2.018	50	0		EEAARL
Cc1cc([O-])c(C(c2cccnc2)c2c([O-])cc(C)oc2=O)c(=O)o1	ZINC000006266049	462680941	/nfs/dbraw/zinc/68/09/41/462680941.db2.gz	JUKMSJMWGKKGJE-UHFFFAOYSA-N	-2	0	341.319	2.196	50	0		EEAARL
COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1	ZINC000007709022	462747521	/nfs/dbraw/zinc/74/75/21/462747521.db2.gz	DVCFDNJPMVCKNY-UHFFFAOYSA-N	-2	0	341.366	2.034	50	0		EEAARL
COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000007709001	462747546	/nfs/dbraw/zinc/74/75/46/462747546.db2.gz	VCSMTCOHWZJJCO-UHFFFAOYSA-N	-2	0	341.366	2.034	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F	ZINC000037290589	213139352	/nfs/dbraw/zinc/13/93/52/213139352.db2.gz	MRIITYSOOXBCJW-UHFFFAOYSA-N	-2	0	331.346	2.395	50	0		EEAARL
COc1ccc(OC)c(NC(=O)c2ccc(C(=O)[O-])cc2C(=O)[O-])c1	ZINC000005024160	210364716	/nfs/dbraw/zinc/36/47/16/210364716.db2.gz	URQNOBQEZGRFHF-UHFFFAOYSA-N	-2	0	345.307	2.353	50	0		EEAARL
O=C([O-])CSc1ccc(I)cc1C(=O)[O-]	ZINC000000289476	462552450	/nfs/dbraw/zinc/55/24/50/462552450.db2.gz	VPROEDHGLJEGQQ-UHFFFAOYSA-N	-2	0	338.122	2.166	50	0		EEAARL
O=C([O-])c1cc2c(cc1[N-]S(=O)(=O)c1cccs1)OCCO2	ZINC000013090200	462884686	/nfs/dbraw/zinc/88/46/86/462884686.db2.gz	ZSDXJBKJCYHTPC-UHFFFAOYSA-N	-2	0	341.366	2.018	50	0		EEAARL
O=C([O-])c1cc(NC(=O)COc2ccc(F)cc2)cc(C(=O)[O-])c1	ZINC000004825595	210289277	/nfs/dbraw/zinc/28/92/77/210289277.db2.gz	DTEZZYJUIYIFBV-UHFFFAOYSA-N	-2	0	333.271	2.240	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC	ZINC000015243658	462944297	/nfs/dbraw/zinc/94/42/97/462944297.db2.gz	VTBPFDOKWJTPCF-UHFFFAOYSA-N	-2	0	343.382	2.264	50	0		EEAARL
COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000026547460	463167078	/nfs/dbraw/zinc/16/70/78/463167078.db2.gz	AINGILIIKAMBSR-UHFFFAOYSA-N	-2	0	327.383	2.394	50	0		EEAARL
O=S(=O)([O-])c1ccc2oc3ccc(S(=O)(=O)[O-])cc3c2c1	ZINC000003070053	304768782	/nfs/dbraw/zinc/76/87/82/304768782.db2.gz	WLXVUPJNHGMKPA-UHFFFAOYSA-N	-2	0	328.323	2.079	50	0		EEAARL
CC(=O)Oc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000000289556	462552819	/nfs/dbraw/zinc/55/28/19/462552819.db2.gz	GOZLRGINXKGJAF-UHFFFAOYSA-N	-2	0	343.291	2.261	50	0		EEAARL
CN(Cc1nc(=O)c2sccc2[n-]1)Cc1ncccc1C(=O)[O-]	ZINC000071779796	463423858	/nfs/dbraw/zinc/42/38/58/463423858.db2.gz	XKAKUWMLZIZJNB-UHFFFAOYSA-N	-2	0	330.369	2.122	50	0		EEAARL
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2ccc(C)c(C)c2n1	ZINC000952972251	796112389	/nfs/dbraw/zinc/11/23/89/796112389.db2.gz	ZYHDSYVZGQFBCW-AWEZNQCLSA-N	-2	0	344.367	2.208	50	0		EEAARL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1	ZINC000036389592	213093819	/nfs/dbraw/zinc/09/38/19/213093819.db2.gz	IRKQXLDBLCFKDF-UHFFFAOYSA-N	-2	0	349.364	2.281	50	0		EEAARL
O=C([O-])c1cc(Cc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000034751366	304224277	/nfs/dbraw/zinc/22/42/77/304224277.db2.gz	RAESDWWKTFZWJA-UHFFFAOYSA-N	-4	0	344.275	2.070	50	0		EEAARL
O=C([O-])c1csc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1	ZINC000026543832	212525585	/nfs/dbraw/zinc/52/55/85/212525585.db2.gz	AAWJDTOAICKWAT-UHFFFAOYSA-N	-2	0	325.367	2.182	50	0		EEAARL
COc1cccc(OC)c1C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000004822663	210287291	/nfs/dbraw/zinc/28/72/91/210287291.db2.gz	KKOVMEOEALZMPC-UHFFFAOYSA-N	-2	0	345.307	2.353	50	0		EEAARL
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(C[C@@H]3CCCO3)c(=O)c12	ZINC000017066769	300950193	/nfs/dbraw/zinc/95/01/93/300950193.db2.gz	COWMXPCKZRBKCE-ZETCQYMHSA-N	-2	0	326.399	2.306	50	0		EEAARL
CSC1(C(=O)[O-])[C@@H]2C=C[C@@H]3C2C2[C@H]1C=C[C@H]2C3(SC)C(=O)[O-]	ZINC000257358409	463788781	/nfs/dbraw/zinc/78/87/81/463788781.db2.gz	UCPYDHVOVIYEPX-MUEFXOHCSA-N	-2	0	338.450	2.223	50	0		EEAARL
O=C([O-])/C=C/c1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1	ZINC000005019574	773900878	/nfs/dbraw/zinc/90/08/78/773900878.db2.gz	CPNPPWFHIKCVMK-QPJJXVBHSA-N	-2	0	337.287	2.283	50	0		EEAARL
CC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000023762106	212394042	/nfs/dbraw/zinc/39/40/42/212394042.db2.gz	ZIUVBNCJKMXXSZ-UHFFFAOYSA-N	-2	0	325.367	2.450	50	0		EEAARL
O=C([O-])CC1(NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CCCCC1	ZINC000218605391	241334538	/nfs/dbraw/zinc/33/45/38/241334538.db2.gz	AQYLDWVVUNWRQZ-UHFFFAOYSA-N	-2	0	343.383	2.073	50	0		EEAARL
O=C([O-])CCCNC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095376549	218308634	/nfs/dbraw/zinc/30/86/34/218308634.db2.gz	QNCUDSYJXWWDAF-AWEZNQCLSA-N	-2	0	334.372	2.139	50	0		EEAARL
O=C([O-])c1cc(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])ccc1O	ZINC000006057640	304226158	/nfs/dbraw/zinc/22/61/58/304226158.db2.gz	FGQOAIHSYBKTCG-VHSXEESVSA-N	-2	0	339.731	2.262	50	0		EEAARL
COc1ccc(Cn2nnc(C(=O)[O-])c2C(=O)[O-])cc1C(C)(C)C	ZINC000002573116	462595315	/nfs/dbraw/zinc/59/53/15/462595315.db2.gz	CJIQVDXJBLCZSG-UHFFFAOYSA-N	-2	0	333.344	2.029	50	0		EEAARL
CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1	ZINC000013299861	462889656	/nfs/dbraw/zinc/88/96/56/462889656.db2.gz	PDWOAAQNOLAXSK-UHFFFAOYSA-N	-2	0	325.367	2.450	50	0		EEAARL
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cnc2N(C)C)c1	ZINC000035479719	213032772	/nfs/dbraw/zinc/03/27/72/213032772.db2.gz	MJGDSMKLKRRUTF-UHFFFAOYSA-N	-2	0	349.412	2.263	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(OC)c1	ZINC000007057272	462719912	/nfs/dbraw/zinc/71/99/12/462719912.db2.gz	VDRZEOOLPYWHIB-UHFFFAOYSA-N	-2	0	337.353	2.203	50	0		EEAARL
Cc1ccc(S(=O)(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)cc1	ZINC000000424967	539326855	/nfs/dbraw/zinc/32/68/55/539326855.db2.gz	VPGHYKUNSLGNFW-UHFFFAOYSA-N	-2	0	347.421	2.300	50	0		EEAARL
O=C([O-])c1csc(-n2ncc(C(=O)[O-])c2C(F)(F)C(F)F)n1	ZINC000025183531	463112722	/nfs/dbraw/zinc/11/27/22/463112722.db2.gz	COLSYJYIXFTOHJ-UHFFFAOYSA-N	-2	0	339.226	2.082	50	0		EEAARL
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2C(=O)[O-])c1	ZINC000000147861	462543503	/nfs/dbraw/zinc/54/35/03/462543503.db2.gz	MCLJSACVAAMWLY-UHFFFAOYSA-N	-2	0	349.364	2.136	50	0		EEAARL
O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000032313817	684058963	/nfs/dbraw/zinc/05/89/63/684058963.db2.gz	NLQPLVHOMRWENT-TWGQIWQCSA-N	-2	0	347.348	2.283	50	0		EEAARL
O=C([O-])c1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004064016	205676917	/nfs/dbraw/zinc/67/69/17/205676917.db2.gz	JDTDSUWLMOGBLM-AWEZNQCLSA-N	-2	0	328.324	2.202	50	0	biogenic	EEAARL
O=C([O-])CSCCOc1ccc(OCCSCC(=O)[O-])cc1	ZINC000004666701	201609248	/nfs/dbraw/zinc/60/92/48/201609248.db2.gz	CZXVJFTXTLCLKP-UHFFFAOYSA-N	-2	0	346.426	2.080	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1	ZINC000013358836	207382511	/nfs/dbraw/zinc/38/25/11/207382511.db2.gz	MVIOWTMBJJIWMS-UHFFFAOYSA-N	-2	0	343.307	2.472	50	0		EEAARL
Cn1c(SCC(=O)[O-])nnc1-c1cc(Br)ccc1O	ZINC000004821401	462637929	/nfs/dbraw/zinc/63/79/29/462637929.db2.gz	OROOGDPFTBEXHG-UHFFFAOYSA-N	-2	0	344.190	2.127	50	0		EEAARL
O=C([O-])CCCNC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1	ZINC000095353169	463066334	/nfs/dbraw/zinc/06/63/34/463066334.db2.gz	DKPSYWRWKRZABC-AWEZNQCLSA-N	-2	0	334.372	2.139	50	0		EEAARL
O=C([O-])C[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1cccc(F)c1	ZINC000072401312	304073862	/nfs/dbraw/zinc/07/38/62/304073862.db2.gz	IMMXPNJSCCQRJA-OAHLLOKOSA-N	-2	0	345.326	2.399	50	0		EEAARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)Nc3ccccc3N2O)c1	ZINC000002908038	304224072	/nfs/dbraw/zinc/22/40/72/304224072.db2.gz	APTIAYFTDARDHN-UHFFFAOYSA-N	-2	0	329.268	2.246	50	0		EEAARL
O=C([O-])c1ccc(COc2ccc(/C=C3/NC(=O)[N-]C3=O)cc2)cc1	ZINC000000073257	462541123	/nfs/dbraw/zinc/54/11/23/462541123.db2.gz	KTGZGMXRDJXCKX-OQLLNIDSSA-N	-2	0	338.319	2.144	50	0		EEAARL
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000004635883	462635462	/nfs/dbraw/zinc/63/54/62/462635462.db2.gz	NLQPLVHOMRWENT-RMKNXTFCSA-N	-2	0	347.348	2.283	50	0		EEAARL
O=C([O-])CCCNC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1	ZINC000095376548	463071384	/nfs/dbraw/zinc/07/13/84/463071384.db2.gz	QNCUDSYJXWWDAF-CQSZACIVSA-N	-2	0	334.372	2.139	50	0		EEAARL
Cc1cc(S(=O)(=O)[N-]c2c(C)n(C)nc2C(=O)[O-])sc1Cl	ZINC000585136362	468987528	/nfs/dbraw/zinc/98/75/28/468987528.db2.gz	CEIXYDXOIOHMQE-UHFFFAOYSA-N	-2	0	349.821	2.251	50	0		EEAARL
Cc1ccc(S(=O)(=O)[N-]C([O-])(C(F)(F)F)C(F)(F)F)cc1	ZINC000003154088	462610948	/nfs/dbraw/zinc/61/09/48/462610948.db2.gz	CGRAHROJPDEZOT-UHFFFAOYSA-N	-2	0	337.241	2.087	50	0		EEAARL
Cc1[n-]n2c(nc(C(=O)[O-])c(CCO)c2=O)c1-c1ccc(Cl)cc1	ZINC000009137804	462798385	/nfs/dbraw/zinc/79/83/85/462798385.db2.gz	SMCXXAJUMNKIQD-UHFFFAOYSA-N	-2	0	347.758	2.297	50	0		EEAARL
O=C([O-])CCc1nnc(SCc2cccc(Cl)c2)[n-]c1=O	ZINC000004317182	462630244	/nfs/dbraw/zinc/63/02/44/462630244.db2.gz	DVAGWPMLXTYAQW-UHFFFAOYSA-N	-2	0	325.777	2.128	50	0		EEAARL
Cc1ccc(S(=O)(=O)[N-]c2cnn(C(C)(C)C)c2)cc1C(=O)[O-]	ZINC000065833957	462832475	/nfs/dbraw/zinc/83/24/75/462832475.db2.gz	HPZFGCSIVQEQRA-UHFFFAOYSA-N	-2	0	337.401	2.446	50	0		EEAARL
O=C([O-])/C=C/c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000000314860	462554616	/nfs/dbraw/zinc/55/46/16/462554616.db2.gz	YRHYYJZTGONLCZ-RUDMXATFSA-N	-2	0	347.348	2.283	50	0		EEAARL
CC(=O)Oc1cccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1	ZINC000004695719	462635120	/nfs/dbraw/zinc/63/51/20/462635120.db2.gz	QHDYURDPTRZPQX-UHFFFAOYSA-N	-2	0	343.291	2.261	50	0		EEAARL
CSc1ccc(Cl)c(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1	ZINC000008762439	462794543	/nfs/dbraw/zinc/79/45/43/462794543.db2.gz	GWJIQNHSBYLZER-SNVBAGLBSA-N	-2	0	331.777	2.110	50	0		EEAARL
O=C([O-])CC[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)C(=O)[O-]	ZINC000008756627	462795139	/nfs/dbraw/zinc/79/51/39/462795139.db2.gz	UJQZZAQUNGFQML-LLVKDONJSA-N	-2	0	335.287	2.134	50	0		EEAARL
O=C(COc1ccccc1P(=O)([O-])[O-])Nc1ccccc1Cl	ZINC000009420424	462802958	/nfs/dbraw/zinc/80/29/58/462802958.db2.gz	JDDBBUHKLPKHEI-UHFFFAOYSA-N	-2	0	341.687	2.161	50	0	in-vitro	EEAARL
O=C([O-])CC[C@H](Nc1ncnc2sc3c(c21)CCCC3)C(=O)[O-]	ZINC000004863092	210305621	/nfs/dbraw/zinc/30/56/21/210305621.db2.gz	KNIOYNVMXUZPPI-VIFPVBQESA-N	-2	0	335.385	2.300	50	0		EEAARL
O=C([O-])CCc1nnc(SCc2ccc(Cl)cc2)[n-]c1=O	ZINC000004317171	210168918	/nfs/dbraw/zinc/16/89/18/210168918.db2.gz	AFRPHMCLZBWKMP-UHFFFAOYSA-N	-2	0	325.777	2.128	50	0		EEAARL
O=C([O-])c1cc(-n2c(=S)[n-]nc2-c2ccc(=O)[nH]n2)ccc1Cl	ZINC000009016004	211031429	/nfs/dbraw/zinc/03/14/29/211031429.db2.gz	ZWXNLCGXHBQAOC-UHFFFAOYSA-N	-2	0	349.759	2.444	50	0		EEAARL
O=C([O-])C[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccc(F)cc1	ZINC000072402055	304081762	/nfs/dbraw/zinc/08/17/62/304081762.db2.gz	ZJLBHIGPLCAOHI-HNNXBMFYSA-N	-2	0	345.326	2.399	50	0		EEAARL
COc1ccc(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC000004822601	210287380	/nfs/dbraw/zinc/28/73/80/210287380.db2.gz	ROGCPDUQUUTLGH-UHFFFAOYSA-N	-2	0	329.308	2.273	50	0		EEAARL
Cc1cc(S(=O)(=O)[N-]c2c(C)nn(CC(=O)[O-])c2C)c(C)s1	ZINC000055242835	214293623	/nfs/dbraw/zinc/29/36/23/214293623.db2.gz	VJLHEXIZNZKPGU-UHFFFAOYSA-N	-2	0	343.430	2.064	50	0		EEAARL
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1	ZINC000000267731	462552211	/nfs/dbraw/zinc/55/22/11/462552211.db2.gz	JEMRLDDKWRHQCQ-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
CCc1ccc(NC(=O)COc2ccccc2P(=O)([O-])[O-])cc1	ZINC000009419137	211081179	/nfs/dbraw/zinc/08/11/79/211081179.db2.gz	ZALLZCSHTXWOFH-UHFFFAOYSA-N	-2	0	335.296	2.070	50	0		EEAARL
CCOC(=O)C(C)=C([O-])c1ccc(C([O-])=C(C)C(=O)OCC)cc1	ZINC000004105439	210120227	/nfs/dbraw/zinc/12/02/27/210120227.db2.gz	MVMJXBOQZZRAEB-VXGBXAGGSA-N	-2	0	334.368	2.450	50	0		EEAARL
CCOC(=O)C(C)=C([O-])c1ccc(C([O-])=C(C)C(=O)OCC)cc1	ZINC000013400668	462891691	/nfs/dbraw/zinc/89/16/91/462891691.db2.gz	MVMJXBOQZZRAEB-TXEJJXNPSA-N	-2	0	334.368	2.450	50	0		EEAARL
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(Br)c2)c[nH]1	ZINC000020213476	212111695	/nfs/dbraw/zinc/11/16/95/212111695.db2.gz	FYJZMBVIHXOZNQ-UHFFFAOYSA-N	-2	0	345.174	2.276	50	0		EEAARL
Cc1c(C(=O)[O-])sc2[n-]c(=S)n(C[C@H]3CCCO3)c(=O)c12	ZINC000017066771	300950202	/nfs/dbraw/zinc/95/02/02/300950202.db2.gz	COWMXPCKZRBKCE-SSDOTTSWSA-N	-2	0	326.399	2.306	50	0		EEAARL
O=C([O-])c1cc(Br)c([O-])c(I)c1	ZINC000143275896	304220831	/nfs/dbraw/zinc/22/08/31/304220831.db2.gz	KFRPIHLLNOZMTA-UHFFFAOYSA-N	-2	0	342.914	2.458	50	0		EEAARL
CC(C)OC(=O)c1cc(C(=O)[O-])c(C(=O)OC(C)C)cc1C(=O)[O-]	ZINC000000289542	209520544	/nfs/dbraw/zinc/52/05/44/209520544.db2.gz	KCHZVYYOTXUBER-UHFFFAOYSA-N	-2	0	338.312	2.213	50	0		EEAARL
CC(=C\C(=O)[O-])/C(=C/c1ccc(I)o1)C(=O)[O-]	ZINC000004772283	210275128	/nfs/dbraw/zinc/27/51/28/210275128.db2.gz	LATLPSRHCPYPRN-NDWVUGOJSA-N	-2	0	348.092	2.383	50	0		EEAARL
O=C([O-])CSCc1nc2ccccc2nc1CSCC(=O)[O-]	ZINC000006244159	462680030	/nfs/dbraw/zinc/68/00/30/462680030.db2.gz	AZJGVDMWGJAXFW-UHFFFAOYSA-N	-2	0	338.410	2.265	50	0		EEAARL
O=C([O-])C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000043898858	463661405	/nfs/dbraw/zinc/66/14/05/463661405.db2.gz	JEHDYXCNIBCDDG-UHFFFAOYSA-N	-2	0	341.319	2.063	50	0		EEAARL
CCOc1cc2[n-]c(=S)n(CCC(=O)[O-])c(=O)c2cc1OCC	ZINC000000425120	462561491	/nfs/dbraw/zinc/56/14/91/462561491.db2.gz	CYRKKDCZTOJTKF-UHFFFAOYSA-N	-2	0	338.385	2.331	50	0		EEAARL
CCOC(=O)C1=C([O-])c2cc3c(cc2C1)C([O-])=C(C(=O)OCC)C3	ZINC000033739685	212962116	/nfs/dbraw/zinc/96/21/16/212962116.db2.gz	UHIJYWODUQXHDO-UHFFFAOYSA-N	-2	0	330.336	2.463	50	0	biogenic	EEAARL
Cc1c(C(=O)[O-])cccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O	ZINC000000069839	300947467	/nfs/dbraw/zinc/94/74/67/300947467.db2.gz	VFOBRJRRVUHGMR-UHFFFAOYSA-N	-2	0	325.276	2.192	50	0		EEAARL
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC000000147794	462543510	/nfs/dbraw/zinc/54/35/10/462543510.db2.gz	HZIKFOXGVUGYDF-UHFFFAOYSA-N	-2	0	334.353	2.204	50	0		EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(C)=O	ZINC000034864556	463430442	/nfs/dbraw/zinc/43/04/42/463430442.db2.gz	AGYOETSWDXBLCE-UHFFFAOYSA-N	-2	0	349.364	2.397	50	0		EEAARL
O=C([O-])CC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)[O-]	ZINC000003117855	462611226	/nfs/dbraw/zinc/61/12/26/462611226.db2.gz	WNURILRAGNSXEZ-OAHLLOKOSA-N	-2	0	341.363	2.253	50	0		EEAARL
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000012526175	211398416	/nfs/dbraw/zinc/39/84/16/211398416.db2.gz	UTUIHWMKZTTWDH-UHFFFAOYSA-N	-2	0	349.364	2.281	50	0		EEAARL
COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1	ZINC000013195123	462886693	/nfs/dbraw/zinc/88/66/93/462886693.db2.gz	PLMCVIAYJYSORE-UHFFFAOYSA-N	-2	0	335.381	2.432	50	0		EEAARL
COc1ccc(-c2nn(CCC(=O)[O-])cc2/C=C\C(=O)[O-])cc1OC	ZINC000006373167	1205512722	/nfs/dbraw/zinc/51/27/22/1205512722.db2.gz	AYIYCVVLVXCPMN-XQRVVYSFSA-N	-2	0	346.339	2.140	50	0		EEAARL
O=C([N-]Cc1cccc(C[N-]C(=O)C(F)(F)F)c1)C(F)(F)F	ZINC000000221775	209493823	/nfs/dbraw/zinc/49/38/23/209493823.db2.gz	CRJNIESBXQKCDQ-UHFFFAOYSA-N	-2	0	328.212	2.044	50	0		EEAARL
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000000384649	462558122	/nfs/dbraw/zinc/55/81/22/462558122.db2.gz	LJUPOHFTVIFJAF-UHFFFAOYSA-N	-2	0	325.317	2.333	50	0		EEAARL
Cc1cc2oc(-c3ccc(C(=O)[O-])cc3)c(CC(=O)[O-])c2c(=O)n1C	ZINC000828526774	1204938811	/nfs/dbraw/zinc/93/88/11/1204938811.db2.gz	AVTCERITTTWUBW-UHFFFAOYSA-N	-2	0	341.319	2.432	50	0	biogenic	EEAARL
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21	ZINC000024425269	463084546	/nfs/dbraw/zinc/08/45/46/463084546.db2.gz	HAYKSZVDABAGNO-UHFFFAOYSA-N	-2	0	347.352	2.071	50	0		EEAARL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1	ZINC000005234076	210418373	/nfs/dbraw/zinc/41/83/73/210418373.db2.gz	JDZGSLWJRKIPJN-UHFFFAOYSA-N	-2	0	337.353	2.208	50	0		EEAARL