smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])C1	ZINC000035397304	521305163	/nfs/dbraw/zinc/30/51/63/521305163.db2.gz	DVTZMVNHQMKDOQ-HNNXBMFYSA-N	-2	1	447.513	2.669	50	0		IFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1F	ZINC000013990291	556352778	/nfs/dbraw/zinc/35/27/78/556352778.db2.gz	GMFOTPMCFDENJY-UHFFFAOYSA-N	-2	1	443.503	2.892	50	0		IFAAML
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(O)c3)C2)c(=O)[nH]c1=S	ZINC000101455674	557285843	/nfs/dbraw/zinc/28/58/43/557285843.db2.gz	YAXNBLLNCVYINZ-CQSZACIVSA-N	-2	1	432.502	2.823	50	0		IFAAML
CC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036359552	569086426	/nfs/dbraw/zinc/08/64/26/569086426.db2.gz	RZSGUXZVYIQPQS-JOCHJYFZSA-N	-2	1	435.480	2.678	50	0		IFAAML
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)C1	ZINC000032081154	569459438	/nfs/dbraw/zinc/45/94/38/569459438.db2.gz	NRFFFBCOHUXJIO-LLVKDONJSA-N	-2	1	428.388	2.944	50	0		IFAAML
CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1	ZINC000010516093	569582724	/nfs/dbraw/zinc/58/27/24/569582724.db2.gz	PWYAREYCEULVQT-UHFFFAOYSA-N	-2	1	440.543	2.833	50	0		IFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2N2CCOCC2)ccc1Br	ZINC000013345636	132346425	/nfs/dbraw/zinc/34/64/25/132346425.db2.gz	ATKVLSLIZJAAIR-UHFFFAOYSA-N	-2	1	441.303	2.785	50	0		IFAAML
Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1	ZINC000008686729	562962933	/nfs/dbraw/zinc/96/29/33/562962933.db2.gz	YMLMYXBVDNYSSC-UHFFFAOYSA-N	-2	1	438.527	2.669	50	0		IFAAML
CC(=O)N1CCN([C@@H](C(=O)[O-])c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])CC1	ZINC000036358789	569085223	/nfs/dbraw/zinc/08/52/23/569085223.db2.gz	QFPBDRXGTZBFNT-OAQYLSRUSA-N	-2	1	435.480	2.678	50	0		IFAAML
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)C1	ZINC000032081152	569459377	/nfs/dbraw/zinc/45/93/77/569459377.db2.gz	NRFFFBCOHUXJIO-NSHDSACASA-N	-2	1	428.388	2.944	50	0		IFAAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cnc1N1CCOCC1	ZINC000035397706	526353113	/nfs/dbraw/zinc/35/31/13/526353113.db2.gz	BMDNZTQGPMSSAL-UHFFFAOYSA-N	-2	1	432.285	2.724	50	0		IFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1	ZINC000013349688	556502806	/nfs/dbraw/zinc/50/28/06/556502806.db2.gz	NTIMTHFMGOUGAW-UHFFFAOYSA-N	-2	1	444.918	2.624	50	0		IFAAML
O=C([O-])c1ccc(N2CCSCC2)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000058161279	556765185	/nfs/dbraw/zinc/76/51/85/556765185.db2.gz	STDOAEMLRRZNGK-UHFFFAOYSA-N	-2	1	436.511	2.510	50	0		IFAAML
COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])ccc1O	ZINC000225611195	557751499	/nfs/dbraw/zinc/75/14/99/557751499.db2.gz	SRQKQDPSCQNQEY-UHFFFAOYSA-N	-2	1	444.259	2.749	50	0		IFAAML
CCN(CC)S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1C	ZINC000009662893	562974910	/nfs/dbraw/zinc/97/49/10/562974910.db2.gz	HIVJTTJQIGSJJH-UHFFFAOYSA-N	-2	1	426.516	2.525	50	0		IFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)ccc1Br	ZINC000032087637	569459475	/nfs/dbraw/zinc/45/94/75/569459475.db2.gz	AZEJQMRUUPPFNQ-UHFFFAOYSA-N	-2	1	425.260	2.833	50	0		IFAAML
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1	ZINC000002772208	556140249	/nfs/dbraw/zinc/14/02/49/556140249.db2.gz	GPMCDCCEWMKPIM-UHFFFAOYSA-N	-2	1	437.499	2.902	50	0		IFAAML
COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)cc1Cl	ZINC000032971218	556588591	/nfs/dbraw/zinc/58/85/91/556588591.db2.gz	CLASELQGYKFCBE-UHFFFAOYSA-N	-2	1	426.878	2.684	50	0		IFAAML
O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1F	ZINC000060353782	556730383	/nfs/dbraw/zinc/73/03/83/556730383.db2.gz	UGHDUYKCXGHDBM-UHFFFAOYSA-N	-2	1	436.461	2.997	50	0		IFAAML
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NC3(CC(=O)[O-])CCOCC3)c2)c1	ZINC000095970214	569377401	/nfs/dbraw/zinc/37/74/01/569377401.db2.gz	NYLGQROLZVNPLX-UHFFFAOYSA-N	-2	1	432.498	2.550	50	0		IFAAML
CN1CCN(c2cc(C(=O)[O-])c3cc([N-]S(=O)(=O)c4cccs4)ccc3n2)CC1	ZINC000021534166	523923502	/nfs/dbraw/zinc/92/35/02/523923502.db2.gz	JITKCTXAIPXJOU-UHFFFAOYSA-N	-2	1	432.527	2.547	50	0		IFAAML
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000206056493	556637901	/nfs/dbraw/zinc/63/79/01/556637901.db2.gz	JKDLARFZVAWXSM-CYBMUJFWSA-N	-2	1	447.241	2.556	50	0		IFAAML
O=C([O-])CCn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21	ZINC000036360565	569086533	/nfs/dbraw/zinc/08/65/33/569086533.db2.gz	IXFUNLVZFHVUJE-JOCHJYFZSA-N	-2	1	440.475	2.594	50	0		IFAAML
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1	ZINC000012508638	520808277	/nfs/dbraw/zinc/80/82/77/520808277.db2.gz	KOYOOZFUXRSBJI-UHFFFAOYSA-N	-2	1	426.516	2.525	50	0		IFAAML
Cc1ccc(C(=O)N[C@@H](c2nnc(-c3cc4ccccc4oc3=O)o2)P(=O)([O-])[O-])cc1	ZINC000041154233	526198407	/nfs/dbraw/zinc/19/84/07/526198407.db2.gz	YEZMYJZJKMGSGW-LJQANCHMSA-N	-2	1	441.336	2.758	50	0		IFAAML
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2C)CC1	ZINC000032961848	556579318	/nfs/dbraw/zinc/57/93/18/556579318.db2.gz	SRNDBGZLFOOYIN-UHFFFAOYSA-N	-2	1	447.513	2.773	50	0		IFAAML
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCN(C)CC1	ZINC000058009246	569444694	/nfs/dbraw/zinc/44/46/94/569444694.db2.gz	FKTVTYNDLIBKFP-UHFFFAOYSA-N	-2	1	439.921	2.599	50	0		IFAAML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(OC(F)F)c(OC)cc2C(=O)[O-])cc1	ZINC000040115198	569489248	/nfs/dbraw/zinc/48/92/48/569489248.db2.gz	ODOOJKGOCAFQPR-UHFFFAOYSA-N	-2	1	445.396	2.972	50	0		IFAAML
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O	ZINC000206052035	556637569	/nfs/dbraw/zinc/63/75/69/556637569.db2.gz	PSXSRTNUDKXPCH-CYBMUJFWSA-N	-2	1	436.342	2.812	50	0		IFAAML
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000206056470	556637944	/nfs/dbraw/zinc/63/79/44/556637944.db2.gz	JKDLARFZVAWXSM-ZDUSSCGKSA-N	-2	1	447.241	2.556	50	0		IFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1Cl	ZINC000019299308	556735175	/nfs/dbraw/zinc/73/51/75/556735175.db2.gz	PVAUXQURAGRBKR-UHFFFAOYSA-N	-2	1	444.918	2.624	50	0		IFAAML
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1OC(F)F	ZINC000058999953	568759908	/nfs/dbraw/zinc/75/99/08/568759908.db2.gz	JGPOPNBCRGIOKO-UHFFFAOYSA-N	-2	1	445.396	2.957	50	0		IFAAML
NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)c(Cl)c(C(=O)[O-])c2)cc1	ZINC000096009283	569379633	/nfs/dbraw/zinc/37/96/33/569379633.db2.gz	IFJWEESEXNJSNQ-UHFFFAOYSA-N	-2	1	433.667	2.700	50	0		IFAAML
O=C([O-])c1nccnc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000009402981	569529402	/nfs/dbraw/zinc/52/94/02/569529402.db2.gz	OPQWOXQFDUEMNP-UHFFFAOYSA-N	-2	1	432.845	2.881	50	0		IFAAML
CCOC(=O)C1CCN(c2ncc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1	ZINC000035397415	520587831	/nfs/dbraw/zinc/58/78/31/520587831.db2.gz	MCFJBVWECILHNY-UHFFFAOYSA-N	-2	1	447.513	2.669	50	0		IFAAML
CCOC(=O)[C@H]1CCCN(c2ncc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])C1	ZINC000035397318	521305773	/nfs/dbraw/zinc/30/57/73/521305773.db2.gz	LLTJFDWMKWYSKW-HNNXBMFYSA-N	-2	1	447.513	2.669	50	0		IFAAML
Cc1ccc(C(=O)N[C@H](c2nnc(-c3cc4ccccc4oc3=O)o2)P(=O)([O-])[O-])cc1	ZINC000041154236	526212261	/nfs/dbraw/zinc/21/22/61/526212261.db2.gz	YEZMYJZJKMGSGW-IBGZPJMESA-N	-2	1	441.336	2.758	50	0		IFAAML
Cn1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)n1	ZINC000008618085	556192847	/nfs/dbraw/zinc/19/28/47/556192847.db2.gz	GKXXJXVALFFCAN-UHFFFAOYSA-N	-2	1	426.907	2.675	50	0		IFAAML
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000013360007	556503013	/nfs/dbraw/zinc/50/30/13/556503013.db2.gz	HVNQDQLHSXIQAO-UHFFFAOYSA-N	-2	1	436.795	2.974	50	0		IFAAML
CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000084811636	568801662	/nfs/dbraw/zinc/80/16/62/568801662.db2.gz	FXEPQRAWDACACM-UHFFFAOYSA-N	-2	1	437.417	2.998	50	0		IFAAML
COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218081779	569456190	/nfs/dbraw/zinc/45/61/90/569456190.db2.gz	KRWAEHITSVAJFN-ZDUSSCGKSA-N	-2	1	441.392	2.520	50	0		IFAAML
COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(=O)[O-])cc1OC(F)F	ZINC000060059997	556449785	/nfs/dbraw/zinc/44/97/85/556449785.db2.gz	DALZABNDSSOMEN-UHFFFAOYSA-N	-2	1	445.396	2.957	50	0		IFAAML
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000032961801	556578568	/nfs/dbraw/zinc/57/85/68/556578568.db2.gz	QRDOLTUCJLKHIS-UHFFFAOYSA-N	-2	1	425.457	2.606	50	0		IFAAML
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1	ZINC000032961836	556579296	/nfs/dbraw/zinc/57/92/96/556579296.db2.gz	VNCTZLAHOBTBGQ-UHFFFAOYSA-N	-2	1	447.513	2.773	50	0		IFAAML
CC(=O)N1CCN([C@H](C(=O)[O-])c2c3ccccc3n(Cc3ccccc3)c2C(=O)[O-])CC1	ZINC000036358788	569085209	/nfs/dbraw/zinc/08/52/09/569085209.db2.gz	QFPBDRXGTZBFNT-NRFANRHFSA-N	-2	1	435.480	2.678	50	0		IFAAML
CC(=O)N1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036359551	569086383	/nfs/dbraw/zinc/08/63/83/569086383.db2.gz	RZSGUXZVYIQPQS-QFIPXVFZSA-N	-2	1	435.480	2.678	50	0		IFAAML
CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000009955260	569151192	/nfs/dbraw/zinc/15/11/92/569151192.db2.gz	UCVMWRXBMJRKCZ-UHFFFAOYSA-N	-2	1	440.543	2.583	50	0		IFAAML
COc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c(C)c3ccc([O-])cc3oc2=O)cc1OC	ZINC000008877841	569481233	/nfs/dbraw/zinc/48/12/33/569481233.db2.gz	MEPLPZLIELFINS-KRWDZBQOSA-N	-2	1	441.436	2.699	50	0		IFAAML
Cc1ccccc1S(=O)(=O)[N-]C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1	ZINC000072283531	556474268	/nfs/dbraw/zinc/47/42/68/556474268.db2.gz	QESGGKFFUJLFJN-UHFFFAOYSA-N	-2	1	430.507	2.915	50	0		IFAAML
O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)ccc1Br	ZINC000013302325	556501945	/nfs/dbraw/zinc/50/19/45/556501945.db2.gz	NVKARVFZQNJSOB-UHFFFAOYSA-N	-2	1	439.287	2.840	50	0		IFAAML
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C(=O)[O-])c1	ZINC000032926291	556655426	/nfs/dbraw/zinc/65/54/26/556655426.db2.gz	ABZLMUKXGGQCNJ-UHFFFAOYSA-N	-2	1	432.479	2.500	50	0		IFAAML
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nccn3CC(=O)[O-])c2)cc1	ZINC000084798556	568801560	/nfs/dbraw/zinc/80/15/60/568801560.db2.gz	RUWSDTZHXDDBSP-UHFFFAOYSA-N	-2	1	429.454	2.612	50	0		IFAAML
O=C([O-])CCn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccc(F)cc21	ZINC000036360564	569086582	/nfs/dbraw/zinc/08/65/82/569086582.db2.gz	IXFUNLVZFHVUJE-QFIPXVFZSA-N	-2	1	440.475	2.594	50	0		IFAAML
CC(=O)N1CCN([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036365489	569086786	/nfs/dbraw/zinc/08/67/86/569086786.db2.gz	KUCBOORGXUXZDX-QFIPXVFZSA-N	-2	1	435.480	2.678	50	0		IFAAML
CC(=O)N1CCN([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036365491	569086792	/nfs/dbraw/zinc/08/67/92/569086792.db2.gz	KUCBOORGXUXZDX-JOCHJYFZSA-N	-2	1	435.480	2.678	50	0		IFAAML
NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCc4ccccc43)cc2C(=O)[O-])cc1	ZINC000089865384	569165856	/nfs/dbraw/zinc/16/58/56/569165856.db2.gz	FXFXXAUDDSSSSV-UHFFFAOYSA-N	-2	1	437.477	2.979	50	0		IFAAML
Cc1cc([O-])c2c(C)c(CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])c(=O)oc2c1	ZINC000002114556	569182299	/nfs/dbraw/zinc/18/22/99/569182299.db2.gz	ARJHYIXJSHLFBK-SFHVURJKSA-N	-2	1	434.448	2.951	50	0		IFAAML
O=C1[N-]C(=S)NC1=Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1	ZINC000009730794	569564528	/nfs/dbraw/zinc/56/45/28/569564528.db2.gz	RSZCMQUPJQDSCC-LCYFTJDESA-N	-2	1	432.508	2.549	50	0		IFAAML
Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1	ZINC000072283529	556474363	/nfs/dbraw/zinc/47/43/63/556474363.db2.gz	SXFCWXNRRSRTJV-UHFFFAOYSA-N	-2	1	430.507	2.915	50	0		IFAAML
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O	ZINC000206052018	556637245	/nfs/dbraw/zinc/63/72/45/556637245.db2.gz	PSXSRTNUDKXPCH-ZDUSSCGKSA-N	-2	1	436.342	2.812	50	0		IFAAML
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2c(-c3ccc(OC)cc3)n[n-]c2=S)c1	ZINC000008924969	569487163	/nfs/dbraw/zinc/48/71/63/569487163.db2.gz	NCABBERVFZHGCL-UHFFFAOYSA-N	-2	1	448.526	2.754	50	0		IFAAML
CCOC(=O)C1CCN(c2ncc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1	ZINC000021883356	520588424	/nfs/dbraw/zinc/58/84/24/520588424.db2.gz	INLDGVOJTWUISV-UHFFFAOYSA-N	-2	1	447.513	2.669	50	0		IFAAML
CCOC(=O)[C@@H]1CCCN(c2ncc([N-]S(=O)(=O)c3cccc(C)c3)cc2C(=O)[O-])C1	ZINC000035397317	521123556	/nfs/dbraw/zinc/12/35/56/521123556.db2.gz	LLTJFDWMKWYSKW-OAHLLOKOSA-N	-2	1	447.513	2.669	50	0		IFAAML
Cc1nc(SCC(=O)N(CC2=CCSC2)c2ccccc2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000012788866	527015642	/nfs/dbraw/zinc/01/56/42/527015642.db2.gz	IAFYGNBLSQXSRK-UHFFFAOYSA-N	-2	1	445.566	2.894	50	0		IFAAML
Cn1nccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000001027408	555604630	/nfs/dbraw/zinc/60/46/30/555604630.db2.gz	LHACTFSMMPUFJJ-UHFFFAOYSA-N	-2	1	426.907	2.675	50	0		IFAAML
Cc1nc(SCC(=O)Nc2ccccc2Br)[n-]c(=O)c1CCC(=O)[O-]	ZINC000013447665	556064252	/nfs/dbraw/zinc/06/42/52/556064252.db2.gz	OJVQXAZJUIMRLO-UHFFFAOYSA-N	-2	1	426.292	2.589	50	0		IFAAML
CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(OCCCC(=O)[O-])c(F)c3)ccc21	ZINC000060353777	557094494	/nfs/dbraw/zinc/09/44/94/557094494.db2.gz	PDTFPUVFAMVYDS-UHFFFAOYSA-N	-2	1	436.461	2.779	50	0		IFAAML
CCOC(=O)N1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(C)c2)CC1	ZINC000032961853	557319520	/nfs/dbraw/zinc/31/95/20/557319520.db2.gz	BOOOSTBXZQWVEI-UHFFFAOYSA-N	-2	1	447.513	2.773	50	0		IFAAML
CCn1cc(S(=O)(=O)[N-]c2ccc(I)cc2C)cc1C(=O)[O-]	ZINC000089305640	568920331	/nfs/dbraw/zinc/92/03/31/568920331.db2.gz	MIAVQDYPIKSDIA-UHFFFAOYSA-N	-2	1	434.255	2.920	50	0		IFAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-]	ZINC000002098884	569179426	/nfs/dbraw/zinc/17/94/26/569179426.db2.gz	JNKHFKXZZWKRHX-SFHVURJKSA-N	-2	1	427.478	2.852	50	0		IFAAML
COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2c(C)c3ccc([O-])cc3oc2=O)cc1OC	ZINC000008877846	569481278	/nfs/dbraw/zinc/48/12/78/569481278.db2.gz	MEPLPZLIELFINS-QGZVFWFLSA-N	-2	1	441.436	2.699	50	0		IFAAML
Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000040058459	569484667	/nfs/dbraw/zinc/48/46/67/569484667.db2.gz	ZAJHTRBNTDVFRS-UHFFFAOYSA-N	-2	1	438.527	2.669	50	0		IFAAML
CCCCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1	ZINC000012552145	520695192	/nfs/dbraw/zinc/69/51/92/520695192.db2.gz	RBRVPHIWADDVLH-UHFFFAOYSA-N	-2	1	426.516	2.572	50	0		IFAAML
COc1nccnc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1	ZINC000095460444	569369573	/nfs/dbraw/zinc/36/95/73/569369573.db2.gz	PNFPPNLQENUDHS-UHFFFAOYSA-N	-2	1	448.526	2.704	50	0		IFAAML
CCOC(=O)[C@@H]1CCCN(c2ncc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])C1	ZINC000035397303	521122389	/nfs/dbraw/zinc/12/23/89/521122389.db2.gz	DVTZMVNHQMKDOQ-OAHLLOKOSA-N	-2	1	447.513	2.669	50	0		IFAAML
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n1	ZINC000000673309	555532221	/nfs/dbraw/zinc/53/22/21/555532221.db2.gz	UWOZGSIZJHLLGJ-UHFFFAOYSA-N	-2	1	436.490	2.834	50	0		IFAAML
Cc1cc(C)c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C(=O)[O-])c1	ZINC000058267788	556776777	/nfs/dbraw/zinc/77/67/77/556776777.db2.gz	LRSISRXXCQTVRF-UHFFFAOYSA-N	-2	1	438.527	2.587	50	0		IFAAML
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(O)c3)C2)c(=O)[nH]c1=S	ZINC000101455673	557285910	/nfs/dbraw/zinc/28/59/10/557285910.db2.gz	YAXNBLLNCVYINZ-AWEZNQCLSA-N	-2	1	432.502	2.823	50	0		IFAAML
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000008686703	562962793	/nfs/dbraw/zinc/96/27/93/562962793.db2.gz	RXPNMACCZHNGFE-UHFFFAOYSA-N	-2	1	438.527	2.669	50	0		IFAAML
O=C1[N-]C(=S)NC1=Cc1cc(Br)c([O-])c(I)c1	ZINC000015723653	556545720	/nfs/dbraw/zinc/54/57/20/556545720.db2.gz	BSPHXAUMDMRPET-CLTKARDFSA-N	-2	1	425.045	2.516	50	0		IFAAML
CCOC(=O)C1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000033253937	556894359	/nfs/dbraw/zinc/89/43/59/556894359.db2.gz	QIAYRRKUOOFKIS-UHFFFAOYSA-N	-2	1	432.498	2.965	50	0		IFAAML
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)ccc1Cl	ZINC000028258698	557699625	/nfs/dbraw/zinc/69/96/25/557699625.db2.gz	PVXBVBMVRALWPB-UHFFFAOYSA-N	-2	1	433.667	2.700	50	0		IFAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C	ZINC000060266384	556601077	/nfs/dbraw/zinc/60/10/77/556601077.db2.gz	XMFRCJFRSVCCAL-UHFFFAOYSA-N	-2	1	436.555	2.985	50	0		IFAAML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1	ZINC000009716640	562975965	/nfs/dbraw/zinc/97/59/65/562975965.db2.gz	LXDOWMUGHCMKBN-UHFFFAOYSA-N	-2	1	438.527	2.750	50	0		IFAAML
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(Br)c([O-])c2)c1	ZINC000170610512	569145031	/nfs/dbraw/zinc/14/50/31/569145031.db2.gz	CPNXYKHEYVTOKD-UHFFFAOYSA-N	-2	1	444.259	2.529	50	0		IFAAML
COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(=O)[nH]cc(C(=O)OC)c1[O-]	ZINC000218081712	569456220	/nfs/dbraw/zinc/45/62/20/569456220.db2.gz	KRWAEHITSVAJFN-CYBMUJFWSA-N	-2	1	441.392	2.520	50	0		IFAAML
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1	ZINC000040158020	569494464	/nfs/dbraw/zinc/49/44/64/569494464.db2.gz	NZXWTHMUWISLES-UHFFFAOYSA-N	-2	1	446.934	2.870	50	0		IFAAML