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-])CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000022059844	202078382	/nfs/dbraw/zinc/07/83/82/202078382.db2.gz	PNKLPLHMJDGCNY-NZNQWUEYSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)[O-]	ZINC000262469356	296113026	/nfs/dbraw/zinc/11/30/26/296113026.db2.gz	RYPFPJNOVFEUAT-MRVPVSSYSA-N	-1	0	325.346	-0.343	10	0		EBAERM
Cc1c[nH]c(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)n1	ZINC000065406356	376223825	/nfs/dbraw/zinc/22/38/25/376223825.db2.gz	JUHUAQOHVMWEAF-ZWNOBZJWSA-N	-1	0	328.394	-0.504	10	0		EBAERM
CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1	ZINC000408451253	376926760	/nfs/dbraw/zinc/92/67/60/376926760.db2.gz	LKFIOZXLIBMWEU-ZYHUDNBSSA-N	-1	0	328.394	-0.205	10	0		EBAERM
Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)[N-]S(=O)(=O)C1COC1	ZINC000408478901	376948007	/nfs/dbraw/zinc/94/80/07/376948007.db2.gz	SEHBGEIDGVYIIF-ZYHUDNBSSA-N	-1	0	329.378	-0.267	10	0		EBAERM
O=S(=O)([N-]CC(F)(F)F)NC[C@@H]1COC2(CCOCC2)O1	ZINC000377189891	380961434	/nfs/dbraw/zinc/96/14/34/380961434.db2.gz	RWNVXDAARDTFKH-MRVPVSSYSA-N	-1	0	334.316	-0.105	10	0		EBAERM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CN2CCN1CC2	ZINC000178968411	381074442	/nfs/dbraw/zinc/07/44/42/381074442.db2.gz	OMYWRYJZNJPLIE-LBPRGKRZSA-N	-1	0	338.433	-0.212	10	0		EBAERM
O=C([O-])Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc12	ZINC000035245096	419609764	/nfs/dbraw/zinc/60/97/64/419609764.db2.gz	MVSQEPAOMLRIRW-YMILTQATSA-N	-1	0	337.328	-0.759	10	0	in-vitro	EBAERM
CC(C)c1nc2n(n1)C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)CC2	ZINC000134042057	519871083	/nfs/dbraw/zinc/87/10/83/519871083.db2.gz	JIHNBKHYAOQKEV-JTQLQIEISA-N	-1	0	332.364	-0.617	10	0		EBAERM
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)C1	ZINC000712794222	977595729	/nfs/dbraw/zinc/59/57/29/977595729.db2.gz	FPDVBZUICRJPPC-AEJSXWLSSA-N	-1	0	325.408	-0.406	10	0		EBAERM
O=C([O-])[C@@H]1CSCN1C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000037454833	202342984	/nfs/dbraw/zinc/34/29/84/202342984.db2.gz	AIMPRPWEWPAETN-YUMQZZPRSA-N	-1	0	325.433	-0.107	10	0		EBAERM
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000090650453	201372013	/nfs/dbraw/zinc/37/20/13/201372013.db2.gz	XXRQPEKNNKPIMI-DRZSPHRISA-N	-1	0	347.371	-0.418	10	0		EBAERM
COCCNC(=O)NC(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000002656340	201539871	/nfs/dbraw/zinc/53/98/71/201539871.db2.gz	PWPPEQPQBDCLKR-UHFFFAOYSA-N	-1	0	348.315	-0.433	10	0		EBAERM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@@H](O)[C@H](O)[C@H]1O	ZINC000253534736	244006569	/nfs/dbraw/zinc/00/65/69/244006569.db2.gz	PRYLPCLGPXGILY-ZHZXCYKASA-N	-1	0	338.268	-0.936	10	0		EBAERM
CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000408226712	376433689	/nfs/dbraw/zinc/43/36/89/376433689.db2.gz	RUILCWDJBHDQAE-SECBINFHSA-N	-1	0	342.402	-0.173	10	0		EBAERM
O=C([O-])[C@@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000034214058	377171288	/nfs/dbraw/zinc/17/12/88/377171288.db2.gz	IQOASJJGUQMXDW-FTHTZEGESA-N	-1	0	325.528	-0.735	10	0		EBAERM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000065742862	379341873	/nfs/dbraw/zinc/34/18/73/379341873.db2.gz	PRYLPCLGPXGILY-NLRWUALESA-N	-1	0	338.268	-0.936	10	0		EBAERM
CCN1C[C@@H](C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O	ZINC000262078138	154212061	/nfs/dbraw/zinc/21/20/61/154212061.db2.gz	BDTBEDFJIJRAAM-NEPJUHHUSA-N	-1	0	339.392	-0.364	10	0		EBAERM
C[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCO1	ZINC000333594362	155521337	/nfs/dbraw/zinc/52/13/37/155521337.db2.gz	POBPLDTVNJIHLZ-OUAUKWLOSA-N	-1	0	334.394	-0.305	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C2(C)CC2)N(S(C)(=O)=O)C1	ZINC000408338849	157722068	/nfs/dbraw/zinc/72/20/68/157722068.db2.gz	IXYAADSSIVJVFE-DTWKUNHWSA-N	-1	0	340.423	-0.966	10	0		EBAERM
Cc1n[nH]c(C)c1S(=O)(=O)N1Cc2nc[nH]c2C[C@@H]1C(=O)[O-]	ZINC000170306903	419077254	/nfs/dbraw/zinc/07/72/54/419077254.db2.gz	UXNGUGCBIVTSOR-SNVBAGLBSA-N	-1	0	325.350	-0.050	10	0		EBAERM
O=C(N[C@H]1Cc2ccccc2[C@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000178667313	419777140	/nfs/dbraw/zinc/77/71/40/419777140.db2.gz	NRHXHGDTWFQIPZ-QWHCGFSZSA-N	-1	0	338.323	-0.001	10	0		EBAERM
CC(=O)NCCN([C@H](C)C(=O)[O-])S(=O)(=O)NCc1ccccc1	ZINC000263458701	278113247	/nfs/dbraw/zinc/11/32/47/278113247.db2.gz	CWGPLTHQEPNCGE-LLVKDONJSA-N	-1	0	343.405	-0.068	10	0		EBAERM
CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000408477012	280176511	/nfs/dbraw/zinc/17/65/11/280176511.db2.gz	NFKGIBGUKRQGGI-NTZNESFSSA-N	-1	0	334.438	-0.035	10	0		EBAERM
CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000263136633	293541189	/nfs/dbraw/zinc/54/11/89/293541189.db2.gz	UPNINMSNDVARDR-CBAPKCEASA-N	-1	0	349.365	-0.826	10	0		EBAERM
Cc1oc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O	ZINC000697579373	976849937	/nfs/dbraw/zinc/84/99/37/976849937.db2.gz	DVTVDTAVCJQCAN-ZCFIWIBFSA-N	-1	0	325.364	-0.002	10	0		EBAERM
O=C([O-])C1(O)CN(C(=O)CNC(=O)c2ccc(Br)o2)C1	ZINC000706468352	977333584	/nfs/dbraw/zinc/33/35/84/977333584.db2.gz	IBZNIHDORFTEMU-UHFFFAOYSA-N	-1	0	347.121	-0.570	10	0		EBAERM
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)C1	ZINC000712794223	977595306	/nfs/dbraw/zinc/59/53/06/977595306.db2.gz	FPDVBZUICRJPPC-BBBLOLIVSA-N	-1	0	325.408	-0.406	10	0		EBAERM
CC(C)(CNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)S(C)(=O)=O	ZINC000712839276	977609037	/nfs/dbraw/zinc/60/90/37/977609037.db2.gz	PEQHZCXTZVVBSH-BDAKNGLRSA-N	-1	0	327.424	-0.018	10	0		EBAERM
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)C1	ZINC000723262487	978188276	/nfs/dbraw/zinc/18/82/76/978188276.db2.gz	SIQIHBQUWKGJQI-LPEHRKFASA-N	-1	0	325.408	-0.264	10	0		EBAERM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)nn1C	ZINC000408173637	376400677	/nfs/dbraw/zinc/40/06/77/376400677.db2.gz	MLSKZEKPVKMGMX-UHFFFAOYSA-N	-1	0	325.350	-0.174	10	0		EBAERM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@@H]1COCCN1C	ZINC000408226160	376432180	/nfs/dbraw/zinc/43/21/80/376432180.db2.gz	NBBFRHPXRRXTNP-LBPRGKRZSA-N	-1	0	344.437	-0.320	10	0		EBAERM
O=C(NC1CCC(C(=O)[N-]S(=O)(=O)C2COC2)CC1)C1CC1	ZINC000408479186	376747281	/nfs/dbraw/zinc/74/72/81/376747281.db2.gz	TUHJLCJNKLZSTJ-UHFFFAOYSA-N	-1	0	330.406	-0.084	10	0		EBAERM
CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)cn1	ZINC000408301871	376843536	/nfs/dbraw/zinc/84/35/36/376843536.db2.gz	VRWKWDFSYTZTFI-QJPTWQEYSA-N	-1	0	325.390	-0.167	10	0		EBAERM
O=C(Cn1[n-]c(=O)ccc1=O)N1CCCN(c2cccnn2)CC1	ZINC000156685607	376863365	/nfs/dbraw/zinc/86/33/65/376863365.db2.gz	KHFKUEQHTMOCKM-UHFFFAOYSA-N	-1	0	330.348	-0.935	10	0		EBAERM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CNC(=O)C1	ZINC000408368805	376877068	/nfs/dbraw/zinc/87/70/68/376877068.db2.gz	NQKQICFPYHCZNP-QMMMGPOBSA-N	-1	0	326.330	-0.601	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000408475715	376946716	/nfs/dbraw/zinc/94/67/16/376946716.db2.gz	GSAPIQMYELUWOO-RQJHMYQMSA-N	-1	0	330.284	-0.712	10	0		EBAERM
Cc1c([C@H]2OCC[C@@H]2C(=O)[N-]S(=O)(=O)C2COC2)cnn1C	ZINC000408479949	376950140	/nfs/dbraw/zinc/95/01/40/376950140.db2.gz	VAPCEGOZMKQYQP-JQWIXIFHSA-N	-1	0	329.378	-0.349	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)C1CN(C(=O)C2CCCCC2)C1	ZINC000408501986	376969749	/nfs/dbraw/zinc/96/97/49/376969749.db2.gz	YUWDJMBCGBRDGW-UHFFFAOYSA-N	-1	0	330.406	-0.130	10	0		EBAERM
CC[C@@H]1O[C@H](O)[C@H](C)[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2C)[C@@H]1O	ZINC000616590187	378390218	/nfs/dbraw/zinc/39/02/18/378390218.db2.gz	WEVBTPITEJOZNJ-NWAILBPVSA-N	-1	0	332.349	-0.182	10	0		EBAERM
CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000575231421	381548726	/nfs/dbraw/zinc/54/87/26/381548726.db2.gz	FRRSJAKAIDIIKX-NZHYYXIDSA-N	-1	0	346.361	-0.665	10	0		EBAERM
Cn1c(=O)ccn(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1=O	ZINC000261920937	154204736	/nfs/dbraw/zinc/20/47/36/154204736.db2.gz	ROTVGBFAUDILAG-LBPRGKRZSA-N	-1	0	331.328	-0.121	10	0		EBAERM
O=C([O-])[C@H]1Cn2cnnc2CN1Cc1nnnn1Cc1ccccc1	ZINC000643881239	419081181	/nfs/dbraw/zinc/08/11/81/419081181.db2.gz	HQXCNQLIORBIKQ-GFCCVEGCSA-N	-1	0	340.347	-0.218	10	0		EBAERM
COc1ccc2c(c1)[C@H](C(=O)NCCc1n[nH]c(=O)[n-]1)CC(=O)N2	ZINC000091574375	649972641	/nfs/dbraw/zinc/97/26/41/649972641.db2.gz	CJVDDPCLRAVMQD-SNVBAGLBSA-N	-1	0	331.332	-0.109	10	0		EBAERM
NS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000707509431	977397371	/nfs/dbraw/zinc/39/73/71/977397371.db2.gz	DYEGCGIGEVLUMV-ZCFIWIBFSA-N	-1	0	340.404	-0.502	10	0		EBAERM
Cn1cc(CN2CCNC(=O)[C@H]2CC(=O)[O-])c(Br)n1	ZINC000712414071	977582551	/nfs/dbraw/zinc/58/25/51/977582551.db2.gz	HSEYGTWLWAHTLA-MRVPVSSYSA-N	-1	0	331.170	-0.042	10	0		EBAERM
CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)C1	ZINC000714246527	977666563	/nfs/dbraw/zinc/66/65/63/977666563.db2.gz	SIMJOSSTOBAYSP-DOLQZWNJSA-N	-1	0	325.408	-0.265	10	0		EBAERM
CN1CCN([C@H]2CC(=O)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)CC1	ZINC000023476960	202104490	/nfs/dbraw/zinc/10/44/90/202104490.db2.gz	UFQCTMIPWPVBQN-LBPRGKRZSA-N	-1	0	333.344	-0.030	10	0		EBAERM
CCc1nn(C)c(CC)c1S(=O)(=O)[N-]C(=O)[C@H]1COCCN1C	ZINC000408226158	376432259	/nfs/dbraw/zinc/43/22/59/376432259.db2.gz	NBBFRHPXRRXTNP-GFCCVEGCSA-N	-1	0	344.437	-0.320	10	0		EBAERM
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-]	ZINC000095828713	376480824	/nfs/dbraw/zinc/48/08/24/376480824.db2.gz	DQXUEXUHUVKSGQ-IUCAKERBSA-N	-1	0	346.384	-0.083	10	0		EBAERM
CCS(=O)(=O)[N-]C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cnn(C)c1	ZINC000408451250	376737583	/nfs/dbraw/zinc/73/75/83/376737583.db2.gz	LKFIOZXLIBMWEU-CMPLNLGQSA-N	-1	0	328.394	-0.205	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O	ZINC000408475712	376744357	/nfs/dbraw/zinc/74/43/57/376744357.db2.gz	GSAPIQMYELUWOO-BQBZGAKWSA-N	-1	0	330.284	-0.712	10	0		EBAERM
CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)[N-]S(=O)(=O)C1COC1	ZINC000408475154	376744543	/nfs/dbraw/zinc/74/45/43/376744543.db2.gz	BZMXWZIWSHJOLG-GHMZBOCLSA-N	-1	0	329.378	-0.175	10	0		EBAERM
C#CCN([C@@H]1CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O	ZINC000035653082	381167970	/nfs/dbraw/zinc/16/79/70/381167970.db2.gz	MAPSBMPWJNXRLS-LGNVQCELSA-N	-1	0	347.367	-0.499	10	0		EBAERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)CS[C@H]2CCS(=O)(=O)C2)C1	ZINC000252431149	154193578	/nfs/dbraw/zinc/19/35/78/154193578.db2.gz	CLMFWMIESXSPJY-KXUCPTDWSA-N	-1	0	337.419	-0.393	10	0		EBAERM
Cc1nc(C)n(C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n1	ZINC000262349531	154226177	/nfs/dbraw/zinc/22/61/77/154226177.db2.gz	YOOUHNPDBWDHAY-RWMBFGLXSA-N	-1	0	338.364	-0.245	10	0		EBAERM
Cc1noc(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(C(=O)[O-])CC1	ZINC000263134077	154254944	/nfs/dbraw/zinc/25/49/44/154254944.db2.gz	HMPTYBHSIIULEM-SSDOTTSWSA-N	-1	0	331.350	-0.308	10	0		EBAERM
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnn2c1OCCC2	ZINC000408500666	289012694	/nfs/dbraw/zinc/01/26/94/289012694.db2.gz	PELHAMGBOWWZCB-DTWKUNHWSA-N	-1	0	342.377	-0.805	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)N(C(C)=O)C1	ZINC000408486567	294647992	/nfs/dbraw/zinc/64/79/92/294647992.db2.gz	SSMUPGRGDWHHQJ-FRRDWIJNSA-N	-1	0	348.421	-0.363	10	0		EBAERM
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCOC[C@@H]1CO	ZINC000912428828	650205462	/nfs/dbraw/zinc/20/54/62/650205462.db2.gz	XXPADFFTAVMLTJ-JTQLQIEISA-N	-1	0	335.385	-0.095	10	0		EBAERM
CN(CCNS(C)(=O)=O)S(=O)(=O)c1csc(C(=O)[O-])c1	ZINC000689770166	976262209	/nfs/dbraw/zinc/26/22/09/976262209.db2.gz	ADHGMUZUEADZKH-UHFFFAOYSA-N	-1	0	342.420	-0.384	10	0		EBAERM
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000723255005	978183467	/nfs/dbraw/zinc/18/34/67/978183467.db2.gz	LIGNXWNZZIZYFZ-BBBLOLIVSA-N	-1	0	325.408	-0.312	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000022059833	202078481	/nfs/dbraw/zinc/07/84/81/202078481.db2.gz	PNKLPLHMJDGCNY-PSWFKFNGSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
COC(=O)Cn1cc([N-]S(=O)(=O)c2sc(=O)[nH]c2C)cn1	ZINC000038030618	202089687	/nfs/dbraw/zinc/08/96/87/202089687.db2.gz	XQULXRIGJACHJT-UHFFFAOYSA-N	-1	0	332.363	-0.085	10	0		EBAERM
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CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)N(C(C)=O)C1	ZINC000408487895	294647614	/nfs/dbraw/zinc/64/76/14/294647614.db2.gz	XENSBAZZMFTFKN-SDDRHHMPSA-N	-1	0	334.394	-0.753	10	0		EBAERM
CC(=O)[C@H](C)n1c(NCCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606631158	685786506	/nfs/dbraw/zinc/78/65/06/685786506.db2.gz	VYBWPBGGWKFMBH-ZETCQYMHSA-N	-1	0	337.336	-0.530	10	0		EBAERM
C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(C(=O)[O-])no1	ZINC000688547887	976183020	/nfs/dbraw/zinc/18/30/20/976183020.db2.gz	KZJZYDCNVWWQFJ-LURJTMIESA-N	-1	0	326.352	-0.574	10	0		EBAERM
COC(=O)C[C@H](NC(=O)c1nn(C)cc1Br)C(=O)[O-]	ZINC000693083841	976588456	/nfs/dbraw/zinc/58/84/56/976588456.db2.gz	OBLYGJDHRICCNV-LURJTMIESA-N	-1	0	334.126	-0.071	10	0		EBAERM
CC(C)(CS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-]	ZINC000700357086	976950940	/nfs/dbraw/zinc/95/09/40/976950940.db2.gz	SKNGVBSAFJZWNS-SECBINFHSA-N	-1	0	327.424	-0.207	10	0		EBAERM
C[C@@H]1[C@H](NS(=O)(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CCS1(=O)=O	ZINC000712836541	977608159	/nfs/dbraw/zinc/60/81/59/977608159.db2.gz	FNNDMOPFMNMJRH-DOLQZWNJSA-N	-1	0	325.408	-0.265	10	0		EBAERM
CCNS(=O)(=O)CCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000712839295	977609186	/nfs/dbraw/zinc/60/91/86/977609186.db2.gz	PFXBQCAFKDPOGF-BDAKNGLRSA-N	-1	0	328.412	-0.902	10	0		EBAERM
N[C@H]1C(=O)N2C(C(=O)[O-])=C(CN3C=CN4NC=CC=C34)CS[C@H]12	ZINC000098092072	219082643	/nfs/dbraw/zinc/08/26/43/219082643.db2.gz	NDXTUUKQLANBAV-GXFFZTMASA-N	-1	0	333.373	-0.470	10	0		EBAERM
O=C([O-])C1(O)C[C@@H](O)C(OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)C1	ZINC000004098727	290951328	/nfs/dbraw/zinc/95/13/28/290951328.db2.gz	XWRHBGVVCOSNKO-OPGYGNEESA-N	-1	0	338.312	-0.352	10	0	biogenic,in-vitro	EBAERM
O=C([O-])CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C(F)(F)F	ZINC000037591797	213160287	/nfs/dbraw/zinc/16/02/87/213160287.db2.gz	GDSOFKGDAUCYQI-RXMQYKEDSA-N	-1	0	325.286	-0.590	10	0		EBAERM
COCCn1nnc2cc(S(=O)(=O)N(C)CC(=O)[O-])ccc21	ZINC000021163574	212212612	/nfs/dbraw/zinc/21/26/12/212212612.db2.gz	NWWQGPTUQKOZNN-UHFFFAOYSA-N	-1	0	328.350	-0.217	10	0		EBAERM
CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000408195814	376415223	/nfs/dbraw/zinc/41/52/23/376415223.db2.gz	VEZOOWODRCZARC-LLVKDONJSA-N	-1	0	342.373	-0.407	10	0		EBAERM
Nc1nnc(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)[n-]1	ZINC000008015777	379737477	/nfs/dbraw/zinc/73/74/77/379737477.db2.gz	YSYNDLPSKYZJOF-UHFFFAOYSA-N	-1	0	335.345	-0.153	10	0		EBAERM
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(SCCOC(N)=O)S[C@H]12	ZINC000005751653	210530312	/nfs/dbraw/zinc/53/03/12/210530312.db2.gz	LVCPLOQIOKEULU-GLDDHUGJSA-N	-1	0	334.375	-0.019	10	0		EBAERM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@@H]1CC(=O)N(C)C1	ZINC000262209094	154218724	/nfs/dbraw/zinc/21/87/24/154218724.db2.gz	PLUDKVUKBPATML-GHMZBOCLSA-N	-1	0	325.365	-0.754	10	0		EBAERM
CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C(=O)[O-]	ZINC000263136632	154254354	/nfs/dbraw/zinc/25/43/54/154254354.db2.gz	UPNINMSNDVARDR-APPZFPTMSA-N	-1	0	349.365	-0.826	10	0		EBAERM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@H]2CCCOC2)O1	ZINC000408336058	157721405	/nfs/dbraw/zinc/72/14/05/157721405.db2.gz	YBOKOJRNFZWOQY-GARJFASQSA-N	-1	0	334.394	-0.753	10	0		EBAERM
CC1(S(=O)(=O)[N-]C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)CC1	ZINC000408344933	157722202	/nfs/dbraw/zinc/72/22/02/157722202.db2.gz	CJJUONVPATVRRQ-WDEREUQCSA-N	-1	0	346.405	-0.609	10	0		EBAERM
O=C([O-])[C@H]1Cn2cnnc2CN1CCN1C(=O)c2ccccc2C1=O	ZINC000643881576	419080752	/nfs/dbraw/zinc/08/07/52/419080752.db2.gz	PBXBWCYEECCIJJ-GFCCVEGCSA-N	-1	0	341.327	-0.157	10	0		EBAERM
Cc1onc(N)c1S(=O)(=O)[N-]C(=O)C1(C)COC(C)(C)OC1	ZINC000408480808	420658911	/nfs/dbraw/zinc/65/89/11/420658911.db2.gz	XFNNCJZJQAQFNH-UHFFFAOYSA-N	-1	0	333.366	0.159	10	0		EBAERM
CN1CCO[C@H]2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C[C@@H]21	ZINC000328960339	290113872	/nfs/dbraw/zinc/11/38/72/290113872.db2.gz	PMGSFCBHKKBHLI-RYUDHWBXSA-N	-1	0	345.359	-0.019	10	0		EBAERM
CC(=O)[C@@H](C)n1c(N[C@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606629557	685786565	/nfs/dbraw/zinc/78/65/65/685786565.db2.gz	BFMMYNSNRNGKKZ-RNFRBKRXSA-N	-1	0	337.336	-0.531	10	0		EBAERM
NS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1	ZINC000707509429	977396662	/nfs/dbraw/zinc/39/66/62/977396662.db2.gz	DYEGCGIGEVLUMV-LURJTMIESA-N	-1	0	340.404	-0.502	10	0		EBAERM
O=C([O-])[C@@H]1CC[C@H](S(=O)(=O)N2CCCS(=O)(=O)CC2)C1	ZINC000712798494	977597890	/nfs/dbraw/zinc/59/78/90/977597890.db2.gz	SXXWGGDQJCXBFI-ZJUUUORDSA-N	-1	0	325.408	-0.310	10	0		EBAERM
NS(=O)(=O)CCNc1nc[n-]c(=O)c1I	ZINC000165193466	375980439	/nfs/dbraw/zinc/98/04/39/375980439.db2.gz	FWUMNHISBOIKDL-UHFFFAOYSA-N	-1	0	344.134	-0.925	10	0		EBAERM
C[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000408479658	376947668	/nfs/dbraw/zinc/94/76/68/376947668.db2.gz	UYFJYJDUJGIINS-IEBDPFPHSA-N	-1	0	344.389	-0.605	10	0		EBAERM
CC[C@@H]1O[C@H](O)[C@H](C)[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@@H]2C)[C@@H]1O	ZINC000616590185	378390783	/nfs/dbraw/zinc/39/07/83/378390783.db2.gz	WEVBTPITEJOZNJ-MNGGQGOGSA-N	-1	0	332.349	-0.182	10	0		EBAERM
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)N[C@@H]1COCC[C@H]1O	ZINC000223874399	380757605	/nfs/dbraw/zinc/75/76/05/380757605.db2.gz	DDOWIQCHLAEESQ-GHMZBOCLSA-N	-1	0	345.373	-0.250	10	0		EBAERM
CCN1C[C@@H](C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O	ZINC000262078148	154211938	/nfs/dbraw/zinc/21/19/38/154211938.db2.gz	BDTBEDFJIJRAAM-RYUDHWBXSA-N	-1	0	339.392	-0.364	10	0		EBAERM
Cc1nc(C)n(C[C@H]2CN(C(=O)[C@@H]3CC[C@H](C(=O)[O-])O3)CCO2)n1	ZINC000262349528	154226860	/nfs/dbraw/zinc/22/68/60/154226860.db2.gz	YOOUHNPDBWDHAY-FRRDWIJNSA-N	-1	0	338.364	-0.245	10	0		EBAERM
COc1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])cc1-n1cnnn1	ZINC000262938467	154251672	/nfs/dbraw/zinc/25/16/72/154251672.db2.gz	KXRGCZINMYZQGD-CMPLNLGQSA-N	-1	0	347.331	-0.015	10	0		EBAERM
CN1CCO[C@H]2CCN(C(=O)c3c[nH]c4nc(=O)[n-]c(=O)c-4c3)C[C@H]21	ZINC000328960335	290114066	/nfs/dbraw/zinc/11/40/66/290114066.db2.gz	PMGSFCBHKKBHLI-NEPJUHHUSA-N	-1	0	345.359	-0.019	10	0		EBAERM
O=C([O-])C[C@H]1CS(=O)(=O)CCN1C[C@H]1CCCS1(=O)=O	ZINC000694419055	976693446	/nfs/dbraw/zinc/69/34/46/976693446.db2.gz	UKIBLZZYOGDWGG-VHSXEESVSA-N	-1	0	325.408	-0.863	10	0		EBAERM
CC(C)(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)CS(C)(=O)=O	ZINC000723857165	978219719	/nfs/dbraw/zinc/21/97/19/978219719.db2.gz	QKKARYCBPGKOCV-DTORHVGOSA-N	-1	0	327.424	-0.160	10	0		EBAERM
CCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)[O-])n2)CC1	ZINC000049453240	214007920	/nfs/dbraw/zinc/00/79/20/214007920.db2.gz	NJOIULULMCFYLH-UHFFFAOYSA-N	-1	0	332.382	-0.446	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000035644405	213044374	/nfs/dbraw/zinc/04/43/74/213044374.db2.gz	PNKLPLHMJDGCNY-BGNCJLHMSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@@H]1C(N)=O	ZINC000158798507	376033242	/nfs/dbraw/zinc/03/32/42/376033242.db2.gz	RFLMMJMRCAMPEQ-SSDOTTSWSA-N	-1	0	334.375	-0.370	10	0		EBAERM
Cc1cc(CN2C[C@@H]3CN(S(C)(=O)=O)C[C@]3(C(=O)[O-])C2)[nH]n1	ZINC000065461203	376224215	/nfs/dbraw/zinc/22/42/15/376224215.db2.gz	HPKXPUDFWZDFLH-ZWNOBZJWSA-N	-1	0	328.394	-0.504	10	0		EBAERM
CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)Cn1[n-]c(=O)ccc1=O	ZINC000152241234	376593584	/nfs/dbraw/zinc/59/35/84/376593584.db2.gz	RBVCZBKMGZLRHU-SNVBAGLBSA-N	-1	0	332.364	-0.097	10	0		EBAERM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)O1	ZINC000408336326	376652039	/nfs/dbraw/zinc/65/20/39/376652039.db2.gz	ZUSFKPYZWXPHSK-GRYCIOLGSA-N	-1	0	348.421	-0.363	10	0		EBAERM
CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@@H]2COCCN2C)cn1C	ZINC000408506034	376753222	/nfs/dbraw/zinc/75/32/22/376753222.db2.gz	ZSAOHQVTOGHLPM-JTQLQIEISA-N	-1	0	330.410	-0.321	10	0		EBAERM
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)[N-]S(=O)(=O)C1COC1	ZINC000408476207	376946873	/nfs/dbraw/zinc/94/68/73/376946873.db2.gz	KBHJRUUGPFBJNL-NXEZZACHSA-N	-1	0	330.362	-0.994	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)N(C(C)=O)C1	ZINC000408486568	376953612	/nfs/dbraw/zinc/95/36/12/376953612.db2.gz	SSMUPGRGDWHHQJ-RWMBFGLXSA-N	-1	0	348.421	-0.363	10	0		EBAERM
CC(C)(C)N1C[C@H](C(=O)[N-]S(=O)(=O)c2cccnn2)CC1=O	ZINC000408499837	376966541	/nfs/dbraw/zinc/96/65/41/376966541.db2.gz	MQHOCEXIOOLHOI-SECBINFHSA-N	-1	0	326.378	-0.072	10	0		EBAERM
CCOC(=O)c1ccccc1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000616590940	378425988	/nfs/dbraw/zinc/42/59/88/378425988.db2.gz	VAGWLIZRDHAIKO-DXHVMGJMSA-N	-1	0	342.300	-0.866	10	0		EBAERM
CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000005759680	379118573	/nfs/dbraw/zinc/11/85/73/379118573.db2.gz	QCSFMCFHVGTLFF-NHCYSSNCSA-N	-1	0	345.396	-0.455	10	0		EBAERM
O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000178667332	381073869	/nfs/dbraw/zinc/07/38/69/381073869.db2.gz	NRHXHGDTWFQIPZ-STQMWFEESA-N	-1	0	338.323	-0.001	10	0		EBAERM
COc1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])cc1	ZINC000204738216	381199344	/nfs/dbraw/zinc/19/93/44/381199344.db2.gz	QSTQISHFAWVGDR-LLVKDONJSA-N	-1	0	328.346	-0.341	10	0		EBAERM
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(C(=O)[O-])CC1	ZINC000263134079	154254863	/nfs/dbraw/zinc/25/48/63/154254863.db2.gz	HMPTYBHSIIULEM-ZETCQYMHSA-N	-1	0	331.350	-0.308	10	0		EBAERM
O=C(c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1C[C@H]2CCC[C@@H](C1)C2O	ZINC000172358855	304591374	/nfs/dbraw/zinc/59/13/74/304591374.db2.gz	ATHDXXOMEGJIMX-USUYBEQLSA-N	-1	0	330.344	-0.156	10	0		EBAERM
O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CCS1(=O)=O	ZINC000333602032	545866377	/nfs/dbraw/zinc/86/63/77/545866377.db2.gz	QQLABQXXAZAPGB-TUAOUCFPSA-N	-1	0	346.405	-0.163	10	0		EBAERM
O=C([O-])[C@]1(N2CCN(C(=O)Cn3ccccc3=O)CC2)CCOC1	ZINC000886096575	584656248	/nfs/dbraw/zinc/65/62/48/584656248.db2.gz	DQQLDZWSJQPKIA-INIZCTEOSA-N	-1	0	335.360	-0.764	10	0		EBAERM
CC(=O)N[C@@H](C[S@@](=O)CCCS(=O)(=O)C(C)C)C(=O)[O-]	ZINC000696798029	976825121	/nfs/dbraw/zinc/82/51/21/976825121.db2.gz	OZFALWRQYDUUHI-OVWNDWIMSA-N	-1	0	327.424	-0.462	10	0		EBAERM
Cn1cc(Br)c(CNC(=O)N2CC(O)(C(=O)[O-])C2)n1	ZINC000706546412	977352330	/nfs/dbraw/zinc/35/23/30/977352330.db2.gz	FYRNCZLDTUYCGX-UHFFFAOYSA-N	-1	0	333.142	-0.477	10	0		EBAERM
CS(=O)(=O)c1ccc(-c2nnc(S(=O)(=O)CC(=O)[O-])o2)cc1	ZINC000053994297	214210256	/nfs/dbraw/zinc/21/02/56/214210256.db2.gz	VGPCQJLHNICVGD-UHFFFAOYSA-N	-1	0	346.342	-0.002	10	0		EBAERM
CS(=O)(=O)CCCNS(=O)(=O)c1cnn(CCC(=O)[O-])c1	ZINC000038047323	213196839	/nfs/dbraw/zinc/19/68/39/213196839.db2.gz	LUAHOARSJRHQRL-UHFFFAOYSA-N	-1	0	339.395	-0.929	10	0		EBAERM
Cc1cc(S(=O)(=O)NCCS(N)(=O)=O)sc1C(=O)[O-]	ZINC000036745550	213116518	/nfs/dbraw/zinc/11/65/18/213116518.db2.gz	UABHZWQTGBJGQY-UHFFFAOYSA-N	-1	0	328.393	-0.678	10	0		EBAERM
Cc1ccccc1CN1CCNC(=O)[C@H]1CC(=O)NCc1nnn[n-]1	ZINC000072134543	216023958	/nfs/dbraw/zinc/02/39/58/216023958.db2.gz	QIIBYTXTZWKGKY-CYBMUJFWSA-N	-1	0	343.391	-0.485	10	0		EBAERM
COC(=O)c1sccc1S(=O)(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000036967912	375963604	/nfs/dbraw/zinc/96/36/04/375963604.db2.gz	YZZOOCOXJIYVGO-NKWVEPMBSA-N	-1	0	335.359	-0.257	10	0		EBAERM
CC[C@@H](C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC000050351060	376029311	/nfs/dbraw/zinc/02/93/11/376029311.db2.gz	MGYMWVWIGFNSSV-PSASIEDQSA-N	-1	0	327.424	-0.018	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)C1CCN(C(=O)N2CCCC2)CC1	ZINC000408476274	376946020	/nfs/dbraw/zinc/94/60/20/376946020.db2.gz	KQKNCCXXLLRTFI-UHFFFAOYSA-N	-1	0	345.421	-0.241	10	0		EBAERM
Cc1cc(O)c(C2(O)C(=O)[N-]C(=O)NC2=O)c(=O)n1Cc1ccco1	ZINC000009694460	211116452	/nfs/dbraw/zinc/11/64/52/211116452.db2.gz	XQGFIEVZJDEOQT-UHFFFAOYSA-N	-1	0	347.283	-0.943	10	0		EBAERM
CCN1C(=O)CC[C@H](C(=O)[N-]S(C)(=O)=O)[C@H]1c1cnn(C)c1	ZINC000408489412	285166726	/nfs/dbraw/zinc/16/67/26/285166726.db2.gz	SIWCECVTGADYFE-CMPLNLGQSA-N	-1	0	328.394	-0.205	10	0		EBAERM
CCOCCS(=O)(=O)NCC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1	ZINC000262223606	286122737	/nfs/dbraw/zinc/12/27/37/286122737.db2.gz	KUMSLVZFAOTNRJ-SMDDNHRTSA-N	-1	0	348.421	-0.344	10	0		EBAERM
NC(=O)[C@@H]1CC[C@@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)O1	ZINC000263220224	154254580	/nfs/dbraw/zinc/25/45/80/154254580.db2.gz	KLBXBZCVRWUSIP-USXUVBGUSA-N	-1	0	325.365	-0.084	10	0		EBAERM
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[O-]	ZINC000004899573	278025795	/nfs/dbraw/zinc/02/57/95/278025795.db2.gz	CFWJDQIPIHDYBS-RYUDHWBXSA-N	-1	0	327.381	-0.271	10	0		EBAERM
CS(=O)(=O)CCCNS(=O)(=O)N1CCCC[C@H]1C(=O)[O-]	ZINC000038047218	295498940	/nfs/dbraw/zinc/49/89/40/295498940.db2.gz	LFUMHLOJSAZKKH-VIFPVBQESA-N	-1	0	328.412	-0.805	10	0		EBAERM
C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)CSc1n[nH]c(=O)[n-]1	ZINC000329704691	297806184	/nfs/dbraw/zinc/80/61/84/297806184.db2.gz	IWTKHDASRGJYKO-NXEZZACHSA-N	-1	0	327.410	-0.076	10	0		EBAERM
NC(=O)c1ccc(S(=O)(=O)N2CCSC[C@H]2C(=O)[O-])cc1	ZINC000110297951	303345391	/nfs/dbraw/zinc/34/53/91/303345391.db2.gz	WELWUKXAQBTXCV-JTQLQIEISA-N	-1	0	330.387	-0.024	10	0		EBAERM
Cc1ccn(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)c(=O)c1	ZINC000886078274	584655781	/nfs/dbraw/zinc/65/57/81/584655781.db2.gz	ULBHZUYQCYBMIV-KRWDZBQOSA-N	-1	0	349.387	-0.455	10	0		EBAERM
Cc1ccn(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)c(=O)c1	ZINC000886078278	584655885	/nfs/dbraw/zinc/65/58/85/584655885.db2.gz	ULBHZUYQCYBMIV-QGZVFWFLSA-N	-1	0	349.387	-0.455	10	0		EBAERM
CCN(CCS(C)(=O)=O)S(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000688580239	954629573	/nfs/dbraw/zinc/62/95/73/954629573.db2.gz	NTWLQXKKULKOSM-VIFPVBQESA-N	-1	0	328.412	-0.853	10	0		EBAERM
COCC(COC)S(=O)(=O)N1CCSC[C@@H]1CC(=O)[O-]	ZINC000688589514	976186467	/nfs/dbraw/zinc/18/64/67/976186467.db2.gz	FUHAXDLNGVACDH-VIFPVBQESA-N	-1	0	327.424	-0.130	10	0		EBAERM
C[C@@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O	ZINC000697584908	976850192	/nfs/dbraw/zinc/85/01/92/976850192.db2.gz	JAUROIJNDGIZHT-QMMMGPOBSA-N	-1	0	328.412	-0.950	10	0		EBAERM
CC(C)(CS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)C(=O)[O-]	ZINC000700357087	976950921	/nfs/dbraw/zinc/95/09/21/976950921.db2.gz	SKNGVBSAFJZWNS-VIFPVBQESA-N	-1	0	327.424	-0.207	10	0		EBAERM
CS(=O)(=O)CCCCN1CCS(=O)(=O)C[C@@H]1CC(=O)[O-]	ZINC000705588498	977284483	/nfs/dbraw/zinc/28/44/83/977284483.db2.gz	VPICHFNGGQCGDW-JTQLQIEISA-N	-1	0	327.424	-0.615	10	0		EBAERM
CS(=O)(=O)CCCCN1CCS(=O)(=O)C[C@H]1CC(=O)[O-]	ZINC000705588500	977284777	/nfs/dbraw/zinc/28/47/77/977284777.db2.gz	VPICHFNGGQCGDW-SNVBAGLBSA-N	-1	0	327.424	-0.615	10	0		EBAERM
O=C([O-])C1(O)CN(C(=O)Cn2cc(Br)ccc2=O)C1	ZINC000706482900	977342206	/nfs/dbraw/zinc/34/22/06/977342206.db2.gz	WMUZMRMZOXQCBO-UHFFFAOYSA-N	-1	0	331.122	-0.731	10	0		EBAERM
C[C@@H]1CN(S(=O)(=O)c2scnc2C(=O)[O-])CCS1(=O)=O	ZINC000707275723	977380624	/nfs/dbraw/zinc/38/06/24/977380624.db2.gz	ZNQCZGVAUMBWGH-ZCFIWIBFSA-N	-1	0	340.404	-0.351	10	0		EBAERM
C[C@@H](CS(C)(=O)=O)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712794968	977596611	/nfs/dbraw/zinc/59/66/11/977596611.db2.gz	HVVJHYPEYJFJQW-IDKOKCKLSA-N	-1	0	327.424	-0.018	10	0		EBAERM
CC(C)(CNS(=O)(=O)C1CCS(=O)(=O)CC1)CC(=O)[O-]	ZINC000720865398	978071133	/nfs/dbraw/zinc/07/11/33/978071133.db2.gz	YYPXJKUOLICGBO-UHFFFAOYSA-N	-1	0	327.424	-0.016	10	0		EBAERM
NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000055312940	214306307	/nfs/dbraw/zinc/30/63/07/214306307.db2.gz	CLRAKHUIGNWGKV-UHFFFAOYSA-N	-1	0	327.112	-0.496	10	0		EBAERM
C[C@@]12C=C[C@]3(CN(CCCN4CCOCC4)C(=O)[C@@H]3[C@@H]1C(=O)[O-])O2	ZINC000004672427	210242993	/nfs/dbraw/zinc/24/29/93/210242993.db2.gz	VUFJYZAZTKWCRA-NSNWQYSKSA-N	-1	0	336.388	-0.035	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000044020437	376106331	/nfs/dbraw/zinc/10/63/31/376106331.db2.gz	PNKLPLHMJDGCNY-MFGQWXODSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000408335831	376640949	/nfs/dbraw/zinc/64/09/49/376640949.db2.gz	WUIIHEWCZBJGOW-GRYCIOLGSA-N	-1	0	348.421	-0.363	10	0		EBAERM
C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCNC1=O	ZINC000050635970	376696549	/nfs/dbraw/zinc/69/65/49/376696549.db2.gz	XGWJNQDIPWWFRA-DTWKUNHWSA-N	-1	0	331.419	-0.190	10	0		EBAERM
O=C(CCN1C(=O)NC2(CCCC2)C1=O)[N-]S(=O)(=O)C1COC1	ZINC000408475505	376744596	/nfs/dbraw/zinc/74/45/96/376744596.db2.gz	FJULGIDNBQHUAE-UHFFFAOYSA-N	-1	0	345.377	-0.914	10	0		EBAERM
Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]S(=O)(=O)C1COC1	ZINC000408476963	376747066	/nfs/dbraw/zinc/74/70/66/376747066.db2.gz	NBOADYKFVXDETJ-UHFFFAOYSA-N	-1	0	327.318	-0.707	10	0		EBAERM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CNC(=O)C1	ZINC000408368804	376875749	/nfs/dbraw/zinc/87/57/49/376875749.db2.gz	NQKQICFPYHCZNP-MRVPVSSYSA-N	-1	0	326.330	-0.601	10	0		EBAERM
C[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O	ZINC000408479657	376948372	/nfs/dbraw/zinc/94/83/72/376948372.db2.gz	UYFJYJDUJGIINS-FBIMIBRVSA-N	-1	0	344.389	-0.605	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)c1c[nH]c(C(=O)N2CCCC2)c1	ZINC000408481545	376951461	/nfs/dbraw/zinc/95/14/61/376951461.db2.gz	YNMMSWSINYGVTN-UHFFFAOYSA-N	-1	0	327.362	-0.291	10	0		EBAERM
O=CN1CCN(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)CC1	ZINC000006509671	210644611	/nfs/dbraw/zinc/64/46/11/210644611.db2.gz	VIZGZPKXFVYSEA-UHFFFAOYSA-N	-1	0	344.327	-0.605	10	0		EBAERM
O=C(Cn1[n-]c(=O)ccc1=O)NCc1cccnc1-n1ccnc1	ZINC000075836047	381608558	/nfs/dbraw/zinc/60/85/58/381608558.db2.gz	RYUUOUUBCILHEI-UHFFFAOYSA-N	-1	0	326.316	-0.154	10	0		EBAERM
CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc(-n3cnnn3)cc2)C1	ZINC000262217340	154218634	/nfs/dbraw/zinc/21/86/34/154218634.db2.gz	ZCXGJUVRLMBPAJ-CHWSQXEVSA-N	-1	0	331.332	-0.095	10	0		EBAERM
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C[C@@H](C)O[C@@H](C)C1	ZINC000408477010	419306924	/nfs/dbraw/zinc/30/69/24/419306924.db2.gz	NFKGIBGUKRQGGI-LOWVWBTDSA-N	-1	0	334.438	-0.035	10	0		EBAERM
C[C@@H]1C[C@@H](CNC(=O)N2CCS(=O)(=O)[C@H](C(=O)[O-])C2)CCO1	ZINC000333594365	545866313	/nfs/dbraw/zinc/86/63/13/545866313.db2.gz	POBPLDTVNJIHLZ-VWYCJHECSA-N	-1	0	334.394	-0.305	10	0		EBAERM
CC(=O)[C@@H](C)n1c(NCCC(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606631155	685786535	/nfs/dbraw/zinc/78/65/35/685786535.db2.gz	VYBWPBGGWKFMBH-SSDOTTSWSA-N	-1	0	337.336	-0.530	10	0		EBAERM
O=C([O-])CS(=O)(=O)CCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O	ZINC000708846081	955003559	/nfs/dbraw/zinc/00/35/59/955003559.db2.gz	UQLFSYQNQCUHFH-ZJUUUORDSA-N	-1	0	325.408	-0.863	10	0		EBAERM
NS(=O)(=O)[C@@H]1CCCN(C(=O)NCCSCC(=O)[O-])C1	ZINC000707288062	977380255	/nfs/dbraw/zinc/38/02/55/977380255.db2.gz	MBJFJXPWQHWQKY-MRVPVSSYSA-N	-1	0	325.412	-0.733	10	0		EBAERM
C[C@@H]1CS(=O)(=O)C[C@@H]1NS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000712776758	977591597	/nfs/dbraw/zinc/59/15/97/977591597.db2.gz	PVQLYGBYXLRPGO-IMSYWVGJSA-N	-1	0	325.408	-0.408	10	0		EBAERM
O=C([O-])[C@H]1C[C@@H](S(=O)(=O)NC[C@H]2CCCCS2(=O)=O)C1	ZINC000723262484	978188068	/nfs/dbraw/zinc/18/80/68/978188068.db2.gz	SIQIHBQUWKGJQI-BBBLOLIVSA-N	-1	0	325.408	-0.264	10	0		EBAERM
C[C@H](NCP(C[NH2+][C@@H](C)C(=O)[O-])C[NH2+][C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000038458936	213209329	/nfs/dbraw/zinc/20/93/29/213209329.db2.gz	FRGQXBOLXHYEHJ-CIUDSAMLSA-N	-1	0	337.313	-0.471	10	0		EBAERM
Cn1cc(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000037982273	213181865	/nfs/dbraw/zinc/18/18/65/213181865.db2.gz	UKIUYZCVTLYLJK-MRVPVSSYSA-N	-1	0	336.391	-0.564	10	0		EBAERM
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C(=O)[O-])CC1	ZINC000036389499	213093020	/nfs/dbraw/zinc/09/30/20/213093020.db2.gz	RQEWNDZNKBUWDH-LREAXHOUSA-N	-1	0	346.376	-0.607	10	0	biogenic,in-vitro	EBAERM
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000262565250	296112900	/nfs/dbraw/zinc/11/29/00/296112900.db2.gz	ZZGCIZBISYGFLZ-SFYZADRCSA-N	-1	0	325.346	-0.297	10	0		EBAERM
O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]S(=O)(=O)C1COC1	ZINC000408481847	376746473	/nfs/dbraw/zinc/74/64/73/376746473.db2.gz	YWYUPERKINWZHF-UHFFFAOYSA-N	-1	0	345.377	-0.914	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)C1CCN(c2cnccn2)CC1	ZINC000408477557	376747291	/nfs/dbraw/zinc/74/72/91/376747291.db2.gz	OHOGQYCEYSMHSM-UHFFFAOYSA-N	-1	0	326.378	-0.462	10	0		EBAERM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)[C@@H]2CCCOC2)O1	ZINC000408336059	376865414	/nfs/dbraw/zinc/86/54/14/376865414.db2.gz	YBOKOJRNFZWOQY-OUAUKWLOSA-N	-1	0	334.394	-0.753	10	0		EBAERM
CC(C)NS(=O)(=O)[C@@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000408399821	376889501	/nfs/dbraw/zinc/88/95/01/376889501.db2.gz	LIHIWTJGYYRTNC-SECBINFHSA-N	-1	0	344.393	-0.972	10	0		EBAERM
C[C@H]1C(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc2N1C	ZINC000408478871	376948192	/nfs/dbraw/zinc/94/81/92/376948192.db2.gz	SCGJILBAQVAMDD-QMMMGPOBSA-N	-1	0	339.373	-0.078	10	0		EBAERM
Cc1sc2ncc(C(=O)[N-]S(=O)(=O)C3COC3)c(=O)n2c1C	ZINC000408479030	376948719	/nfs/dbraw/zinc/94/87/19/376948719.db2.gz	SSEOYGOAJVJQAI-UHFFFAOYSA-N	-1	0	343.386	-0.169	10	0		EBAERM
CC(C)CNC(=O)N1CCC[C@@H](C(=O)[N-]S(=O)(=O)C2COC2)C1	ZINC000408481938	376949871	/nfs/dbraw/zinc/94/98/71/376949871.db2.gz	ZBQGTBUROCCBSU-LLVKDONJSA-N	-1	0	347.437	-0.091	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cnc(C)s2)N(C(C)=O)C1	ZINC000408480076	376951343	/nfs/dbraw/zinc/95/13/43/376951343.db2.gz	BSDLXIAPKOFQRO-VHSXEESVSA-N	-1	0	347.418	-0.108	10	0		EBAERM
O=C([O-])[C@@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000044136652	380434344	/nfs/dbraw/zinc/43/43/44/380434344.db2.gz	IQOASJJGUQMXDW-QVVHOTIMSA-N	-1	0	325.528	-0.735	10	0		EBAERM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1ccc(F)cc1	ZINC000198726116	381202608	/nfs/dbraw/zinc/20/26/08/381202608.db2.gz	JHTVQEHDNWSRFJ-VIFPVBQESA-N	-1	0	325.248	-0.135	10	0		EBAERM
O=C([O-])[C@@H]1O[C@@H](Oc2ccc3ccc(=O)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000575346812	382046769	/nfs/dbraw/zinc/04/67/69/382046769.db2.gz	PRYLPCLGPXGILY-RLPMIEJPSA-N	-1	0	338.268	-0.936	10	0		EBAERM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1CCN(C)C(=O)C1	ZINC000262253865	154220177	/nfs/dbraw/zinc/22/01/77/154220177.db2.gz	VTCPWOFVXQDBDZ-RYUDHWBXSA-N	-1	0	339.392	-0.364	10	0		EBAERM
NC(=O)[C@@H]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)O1	ZINC000263220218	154254769	/nfs/dbraw/zinc/25/47/69/154254769.db2.gz	KLBXBZCVRWUSIP-BQVMBELUSA-N	-1	0	325.365	-0.084	10	0		EBAERM
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)C3=NOCC3=O)[C@H]2SC1	ZINC000065742911	262531541	/nfs/dbraw/zinc/53/15/41/262531541.db2.gz	FDZFCJHOKSKSPM-PRHODGIISA-N	-1	0	337.313	-0.082	10	0	in-vitro	EBAERM
CC(=O)NCCN([C@@H](C)C(=O)[O-])S(=O)(=O)NCc1ccccc1	ZINC000263458702	278112977	/nfs/dbraw/zinc/11/29/77/278112977.db2.gz	CWGPLTHQEPNCGE-NSHDSACASA-N	-1	0	343.405	-0.068	10	0		EBAERM
CS(=O)(=O)CCCCNS(=O)(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000701764961	954887174	/nfs/dbraw/zinc/88/71/74/954887174.db2.gz	CFELTVREHPQMTM-VIFPVBQESA-N	-1	0	328.412	-0.805	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000022059840	212274198	/nfs/dbraw/zinc/27/41/98/212274198.db2.gz	PNKLPLHMJDGCNY-RCXZEQIESA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)[O-]	ZINC000037418197	296199288	/nfs/dbraw/zinc/19/92/88/296199288.db2.gz	SWAQAIMAGMLYDT-GMSGAONNSA-N	-1	0	337.375	-0.798	10	0		EBAERM
CS(=O)(=O)N1CCN(C(=O)C2(O)CCCCC2)C[C@H](C(=O)[O-])C1	ZINC000097717330	375935450	/nfs/dbraw/zinc/93/54/50/375935450.db2.gz	RFJHBHXFOYWGJD-NSHDSACASA-N	-1	0	348.421	-0.514	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@H]1CC[C@H](C(F)(F)F)NC1=O	ZINC000408475713	376743125	/nfs/dbraw/zinc/74/31/25/376743125.db2.gz	GSAPIQMYELUWOO-NKWVEPMBSA-N	-1	0	330.284	-0.712	10	0		EBAERM
COC(=O)c1ccccc1NC(=O)C(=O)c1c([O-])[nH]c(=S)[nH]c1=O	ZINC000198723519	378411867	/nfs/dbraw/zinc/41/18/67/378411867.db2.gz	WBFTVZAMKRPUED-UHFFFAOYSA-N	-1	0	349.324	-0.872	10	0		EBAERM
O=C([O-])[C@H]1CN(C(=O)CCN2CCCS2(=O)=O)C[C@@H]1C1CC1	ZINC000262095049	154211620	/nfs/dbraw/zinc/21/16/20/154211620.db2.gz	LRINXMFRKSDWBL-NEPJUHHUSA-N	-1	0	330.406	-0.019	10	0		EBAERM
CC(=O)NCCNC(=O)CCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1	ZINC000262689547	154243671	/nfs/dbraw/zinc/24/36/71/154243671.db2.gz	ZSUPINAIRSSSTB-OLZOCXBDSA-N	-1	0	339.392	-0.412	10	0		EBAERM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)O1	ZINC000408333854	157721247	/nfs/dbraw/zinc/72/12/47/157721247.db2.gz	IZPWLMZMLOKLNK-NKWVEPMBSA-N	-1	0	332.300	-0.370	10	0		EBAERM
[NH3+][C@H](Cn1ccc(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000013686116	418994421	/nfs/dbraw/zinc/99/44/21/418994421.db2.gz	UAXLYVRHOALTNF-MRVPVSSYSA-N	-1	0	339.329	-0.770	10	0		EBAERM
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CS(=O)(=O)CCS(=O)(=O)N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1	ZINC000701469233	977016836	/nfs/dbraw/zinc/01/68/36/977016836.db2.gz	QYCGAGSOHLZFJZ-ONGXEEELSA-N	-1	0	325.408	-0.453	10	0		EBAERM
CS(=O)(=O)NC1CN(S(=O)(=O)c2ccc(C(=O)[O-])s2)C1	ZINC000705813414	977294449	/nfs/dbraw/zinc/29/44/49/977294449.db2.gz	IMPVXIIGSAQTAC-UHFFFAOYSA-N	-1	0	340.404	-0.632	10	0		EBAERM
CN(CCNS(C)(=O)=O)S(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000708587052	977438278	/nfs/dbraw/zinc/43/82/78/977438278.db2.gz	INXSUKLQSZKMMG-UHFFFAOYSA-N	-1	0	342.420	-0.384	10	0		EBAERM
O=C([O-])C1CCC(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000712793290	977595590	/nfs/dbraw/zinc/59/55/90/977595590.db2.gz	BXXCGYIJHKEDNC-KYHHOPLUSA-N	-1	0	325.408	-0.264	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000035644401	213043460	/nfs/dbraw/zinc/04/34/60/213043460.db2.gz	PNKLPLHMJDGCNY-HWKXDMQWSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O	ZINC000255972488	284106716	/nfs/dbraw/zinc/10/67/16/284106716.db2.gz	FRRSJAKAIDIIKX-MVCUBJFGSA-N	-1	0	346.361	-0.665	10	0		EBAERM
CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000408217650	376430328	/nfs/dbraw/zinc/43/03/28/376430328.db2.gz	MVNFFWYMIGUDBJ-ZDUSSCGKSA-N	-1	0	326.374	-0.148	10	0		EBAERM
CC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)N(CCO)C(=O)[C@H]2C1	ZINC000005415795	377162367	/nfs/dbraw/zinc/16/23/67/377162367.db2.gz	MTIDYYXQRNZKKD-SNVBAGLBSA-N	-1	0	341.364	-0.655	10	0		EBAERM
CCOC(=O)c1ccccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000616590942	378425611	/nfs/dbraw/zinc/42/56/11/378425611.db2.gz	VAGWLIZRDHAIKO-JLPNCARGSA-N	-1	0	342.300	-0.866	10	0		EBAERM
O=C([O-])[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@H](O)[C@@H]1O	ZINC000071758212	380003216	/nfs/dbraw/zinc/00/32/16/380003216.db2.gz	IQOASJJGUQMXDW-LNHNIDQWSA-N	-1	0	325.528	-0.735	10	0		EBAERM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@H]1CN(C)CCO1	ZINC000136429613	380205073	/nfs/dbraw/zinc/20/50/73/380205073.db2.gz	WLBMHNNRJAYHCY-QMMMGPOBSA-N	-1	0	335.407	-0.461	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000044020434	380355126	/nfs/dbraw/zinc/35/51/26/380355126.db2.gz	PNKLPLHMJDGCNY-XKNKYKOPSA-N	-1	0	336.381	-0.382	10	0		EBAERM
C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@@H](C(=O)[O-])O1	ZINC000262143833	154215395	/nfs/dbraw/zinc/21/53/95/154215395.db2.gz	KLDLVQCLKBSBES-MNOVXSKESA-N	-1	0	334.332	-0.413	10	0		EBAERM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1CC(=O)N(C)C1	ZINC000262209096	154218980	/nfs/dbraw/zinc/21/89/80/154218980.db2.gz	PLUDKVUKBPATML-QWRGUYRKSA-N	-1	0	325.365	-0.754	10	0		EBAERM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1CC(=O)N(C)C1	ZINC000262560630	154237750	/nfs/dbraw/zinc/23/77/50/154237750.db2.gz	YIHPUMHGQTZLQW-LLVKDONJSA-N	-1	0	325.365	-0.754	10	0		EBAERM
COc1ccc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])cc1-n1cnnn1	ZINC000262938470	154251231	/nfs/dbraw/zinc/25/12/31/154251231.db2.gz	KXRGCZINMYZQGD-PWSUYJOCSA-N	-1	0	347.331	-0.015	10	0		EBAERM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)Cn1ccc(=O)n(C)c1=O	ZINC000262947917	154251876	/nfs/dbraw/zinc/25/18/76/154251876.db2.gz	ILDVZHQALNMYOV-UHFFFAOYSA-N	-1	0	347.327	-0.042	10	0		EBAERM
O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)NCC(=O)N1CCOCC1)C2	ZINC000263270069	154255867	/nfs/dbraw/zinc/25/58/67/154255867.db2.gz	RMSCVDGWJHQTSG-XHDPSFHLSA-N	-1	0	325.365	-0.259	10	0		EBAERM
CC[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](OC)CN1S(C)(=O)=O	ZINC000408489735	287633494	/nfs/dbraw/zinc/63/34/94/287633494.db2.gz	VTMZTJJMDWTQTG-LPEHRKFASA-N	-1	0	342.439	-0.720	10	0		EBAERM
CC(=O)NCCN(C(=O)CNC(=O)c1ccccn1)[C@H](C)C(=O)[O-]	ZINC000262284211	278104587	/nfs/dbraw/zinc/10/45/87/278104587.db2.gz	XIAUYBJAGYSJEC-SNVBAGLBSA-N	-1	0	336.348	-0.751	10	0		EBAERM
CC(=O)[C@H](C)n1c(N[C@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606629558	685786367	/nfs/dbraw/zinc/78/63/67/685786367.db2.gz	BFMMYNSNRNGKKZ-RQJHMYQMSA-N	-1	0	337.336	-0.531	10	0		EBAERM
COCC(COC)S(=O)(=O)N1CCSC[C@H]1CC(=O)[O-]	ZINC000688589513	976187081	/nfs/dbraw/zinc/18/70/81/976187081.db2.gz	FUHAXDLNGVACDH-SECBINFHSA-N	-1	0	327.424	-0.130	10	0		EBAERM
O=C([O-])C1(O)CN(S(=O)(=O)c2cncc(Br)c2)C1	ZINC000706440709	977321092	/nfs/dbraw/zinc/32/10/92/977321092.db2.gz	NMUJLMHPMHLXCH-UHFFFAOYSA-N	-1	0	337.151	-0.336	10	0		EBAERM
CS(=O)(=O)N1CC[C@@H](CNS(=O)(=O)CCCC(=O)[O-])C1	ZINC000709842565	977471705	/nfs/dbraw/zinc/47/17/05/977471705.db2.gz	LWIFVLCFUWTUDF-VIFPVBQESA-N	-1	0	328.412	-0.948	10	0		EBAERM
O=C([O-])CC1CC(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1	ZINC000718125878	977954973	/nfs/dbraw/zinc/95/49/73/977954973.db2.gz	QOVJVNWDQIQYLV-UHFFFAOYSA-N	-1	0	325.408	-0.264	10	0		EBAERM
O=C([O-])[C@@H]1CSCN1S(=O)(=O)C1CCS(=O)(=O)CC1	ZINC000050351088	214052992	/nfs/dbraw/zinc/05/29/92/214052992.db2.gz	QCXLYGXYIXKNQD-QMMMGPOBSA-N	-1	0	329.421	-0.647	10	0		EBAERM
CCCS(=O)(=O)N1CCN(Cc2noc(CCC(=O)[O-])n2)CC1	ZINC000049453241	214008217	/nfs/dbraw/zinc/00/82/17/214008217.db2.gz	JHJYDJRJLZXFNL-UHFFFAOYSA-N	-1	0	346.409	-0.056	10	0		EBAERM
NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000037465645	213149815	/nfs/dbraw/zinc/14/98/15/213149815.db2.gz	KSGSFVRRSBJBDJ-UHFFFAOYSA-N	-1	0	343.180	-0.028	10	0		EBAERM
O=C([O-])CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000022059836	212274522	/nfs/dbraw/zinc/27/45/22/212274522.db2.gz	PNKLPLHMJDGCNY-BFYSQQLMSA-N	-1	0	336.381	-0.382	10	0	in-vitro	EBAERM
C[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC000262889303	296094204	/nfs/dbraw/zinc/09/42/04/296094204.db2.gz	ZZGCIZBISYGFLZ-HTQZYQBOSA-N	-1	0	325.346	-0.297	10	0		EBAERM
C[C@@H](NC(=O)[C@H](C)NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-]	ZINC000262889305	296099410	/nfs/dbraw/zinc/09/94/10/296099410.db2.gz	ZZGCIZBISYGFLZ-JGVFFNPUSA-N	-1	0	325.346	-0.297	10	0		EBAERM
CC[C@H](C)[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)C(=O)[O-]	ZINC000050351061	376029659	/nfs/dbraw/zinc/02/96/59/376029659.db2.gz	MGYMWVWIGFNSSV-WCBMZHEXSA-N	-1	0	327.424	-0.018	10	0		EBAERM
CS(=O)(=O)N(CC(=O)[O-])C[C@H]1CN(C(=O)c2ccc[nH]2)CCO1	ZINC000328603119	376610406	/nfs/dbraw/zinc/61/04/06/376610406.db2.gz	DWJBHNQAKXUYMM-SNVBAGLBSA-N	-1	0	345.377	-0.798	10	0		EBAERM
CCN1C(=O)CC[C@H](C(=O)[N-]S(C)(=O)=O)[C@@H]1c1cnn(C)c1	ZINC000408489413	376955783	/nfs/dbraw/zinc/95/57/83/376955783.db2.gz	SIWCECVTGADYFE-JQWIXIFHSA-N	-1	0	328.394	-0.205	10	0		EBAERM
CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)Cc1ccc2c(c1)COC2	ZINC000408497031	376964315	/nfs/dbraw/zinc/96/43/15/376964315.db2.gz	IFFGMKZGOXPJDT-CQSZACIVSA-N	-1	0	340.401	-0.007	10	0		EBAERM
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000262187057	154217478	/nfs/dbraw/zinc/21/74/78/154217478.db2.gz	RRHUGLYQZOZCQA-WOPDTQHZSA-N	-1	0	348.421	-0.109	10	0		EBAERM
O=C([O-])C[C@H]1COCCN1C(=O)CCn1nc2ccccn2c1=O	ZINC000263259208	154256379	/nfs/dbraw/zinc/25/63/79/154256379.db2.gz	GBTWTXBXJTYYGI-NSHDSACASA-N	-1	0	334.332	-0.412	10	0		EBAERM
Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C(=O)N(C)C	ZINC000408504892	302748341	/nfs/dbraw/zinc/74/83/41/302748341.db2.gz	ZOYAFZYITMWKIL-VHSXEESVSA-N	-1	0	328.394	-0.434	10	0		EBAERM
CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1C[C@@H](C)O[C@@H](C(=O)[O-])C1	ZINC000262187047	545970155	/nfs/dbraw/zinc/97/01/55/545970155.db2.gz	RRHUGLYQZOZCQA-GRYCIOLGSA-N	-1	0	348.421	-0.109	10	0		EBAERM
Cn1nc(Br)cc1CN1CCNC(=O)[C@@H]1CC(=O)[O-]	ZINC000691605279	976375263	/nfs/dbraw/zinc/37/52/63/976375263.db2.gz	NXHIHGDLMPADLP-QMMMGPOBSA-N	-1	0	331.170	-0.042	10	0		EBAERM
COC(=O)C[C@@H](NC(=O)c1nn(C)cc1Br)C(=O)[O-]	ZINC000693120897	976590884	/nfs/dbraw/zinc/59/08/84/976590884.db2.gz	OBLYGJDHRICCNV-ZCFIWIBFSA-N	-1	0	334.126	-0.071	10	0		EBAERM
CS(=O)(=O)N1CC[C@H](CNS(=O)(=O)CCCC(=O)[O-])C1	ZINC000709842564	977471970	/nfs/dbraw/zinc/47/19/70/977471970.db2.gz	LWIFVLCFUWTUDF-SECBINFHSA-N	-1	0	328.412	-0.948	10	0		EBAERM
O=C([O-])c1coc(N2CCN[C@H](C(=O)NCc3cccnc3)C2)n1	ZINC000072168750	216059741	/nfs/dbraw/zinc/05/97/41/216059741.db2.gz	FLHRKAQTQALDET-NSHDSACASA-N	-1	0	331.332	-0.138	10	0		EBAERM
CC(C)Cn1cnc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)c1	ZINC000408217657	376429859	/nfs/dbraw/zinc/42/98/59/376429859.db2.gz	MWNPNRMOEBEKEI-LLVKDONJSA-N	-1	0	330.410	-0.325	10	0		EBAERM
CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000408226714	376434624	/nfs/dbraw/zinc/43/46/24/376434624.db2.gz	RUILCWDJBHDQAE-VIFPVBQESA-N	-1	0	342.402	-0.173	10	0		EBAERM
C[C@@H]1Oc2c(cccc2C(=O)[N-]S(=O)(=O)C2COC2)NC1=O	ZINC000408476467	376746962	/nfs/dbraw/zinc/74/69/62/376746962.db2.gz	LSJKIPBMKZVELD-ZETCQYMHSA-N	-1	0	326.330	-0.136	10	0		EBAERM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000207182583	377037686	/nfs/dbraw/zinc/03/76/86/377037686.db2.gz	AZSDMKBUXIIJQA-QXEWZRGKSA-N	-1	0	331.369	-0.701	10	0		EBAERM
COc1ccc2c(c1)[C@@H](C(=O)NCCc1n[nH]c(=O)[n-]1)CC(=O)N2	ZINC000091574376	218023549	/nfs/dbraw/zinc/02/35/49/218023549.db2.gz	CJVDDPCLRAVMQD-JTQLQIEISA-N	-1	0	331.332	-0.109	10	0		EBAERM
COc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])cc1	ZINC000204738200	381199105	/nfs/dbraw/zinc/19/91/05/381199105.db2.gz	QSTQISHFAWVGDR-NSHDSACASA-N	-1	0	328.346	-0.341	10	0		EBAERM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1cccc(OC)c1	ZINC000198718777	381201991	/nfs/dbraw/zinc/20/19/91/381201991.db2.gz	GBYYMPFZZFRJDC-JTQLQIEISA-N	-1	0	337.284	-0.266	10	0		EBAERM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1ccc(F)cc1	ZINC000198726132	381202953	/nfs/dbraw/zinc/20/29/53/381202953.db2.gz	JHTVQEHDNWSRFJ-SECBINFHSA-N	-1	0	325.248	-0.135	10	0		EBAERM
Cc1noc(COCC(=O)N2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)n1	ZINC000262495096	154233018	/nfs/dbraw/zinc/23/30/18/154233018.db2.gz	ZWMNRNRNZQJTHB-IINYFYTJSA-N	-1	0	325.321	-0.156	10	0		EBAERM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@H]1CC(=O)N(C)C1	ZINC000262560631	154238361	/nfs/dbraw/zinc/23/83/61/154238361.db2.gz	YIHPUMHGQTZLQW-NSHDSACASA-N	-1	0	325.365	-0.754	10	0		EBAERM
NC(=O)[C@H]1CC[C@@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)O1	ZINC000263220221	154254776	/nfs/dbraw/zinc/25/47/76/154254776.db2.gz	KLBXBZCVRWUSIP-KIGUWFBYSA-N	-1	0	325.365	-0.084	10	0		EBAERM
CN(C(=O)Cn1ccc(=O)n(C)c1=O)[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000263374670	154257641	/nfs/dbraw/zinc/25/76/41/154257641.db2.gz	AMVOBMZTOHMHJV-ZDUSSCGKSA-N	-1	0	345.355	-0.299	10	0		EBAERM
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CN1CCOC[C@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2	ZINC000408223337	376431886	/nfs/dbraw/zinc/43/18/86/376431886.db2.gz	BXTAVEWEEPAKIH-LBPRGKRZSA-N	-1	0	326.374	-0.243	10	0		EBAERM
CN1CCC(=O)Nc2cc(C(=O)[N-]S(=O)(=O)C3COC3)ccc21	ZINC000408477508	376746209	/nfs/dbraw/zinc/74/62/09/376746209.db2.gz	OFMHHWXBQFNGSJ-UHFFFAOYSA-N	-1	0	339.373	-0.077	10	0		EBAERM
CC(C)c1nc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)cn1C	ZINC000408506035	376752238	/nfs/dbraw/zinc/75/22/38/376752238.db2.gz	ZSAOHQVTOGHLPM-SNVBAGLBSA-N	-1	0	330.410	-0.321	10	0		EBAERM
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CCOC(=O)c1ccccc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000616590945	378427947	/nfs/dbraw/zinc/42/79/47/378427947.db2.gz	VAGWLIZRDHAIKO-VNUHZKFNSA-N	-1	0	342.300	-0.866	10	0		EBAERM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CN2CCN1CC2	ZINC000178968402	381073141	/nfs/dbraw/zinc/07/31/41/381073141.db2.gz	OMYWRYJZNJPLIE-GFCCVEGCSA-N	-1	0	338.433	-0.212	10	0		EBAERM
C[C@@H]1CN(C(=O)Cc2ccc(-n3cnnn3)cc2)C[C@H](C(=O)[O-])O1	ZINC000262142039	154215346	/nfs/dbraw/zinc/21/53/46/154215346.db2.gz	KCKFOMBOEWVFOA-ZWNOBZJWSA-N	-1	0	331.332	-0.095	10	0		EBAERM
CC(C)[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C[C@@H](C)O[C@H](C)C1	ZINC000408477014	419306801	/nfs/dbraw/zinc/30/68/01/419306801.db2.gz	NFKGIBGUKRQGGI-WZRBSPASSA-N	-1	0	334.438	-0.035	10	0		EBAERM
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CC(=O)[C@@H](C)n1c(N[C@@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606629556	685786717	/nfs/dbraw/zinc/78/67/17/685786717.db2.gz	BFMMYNSNRNGKKZ-NKWVEPMBSA-N	-1	0	337.336	-0.531	10	0		EBAERM
CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000689770259	976263236	/nfs/dbraw/zinc/26/32/36/976263236.db2.gz	AHWPXWIHPKKXPG-UHFFFAOYSA-N	-1	0	342.420	-0.384	10	0		EBAERM
Cn1cc(Br)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])n1	ZINC000693095731	976589314	/nfs/dbraw/zinc/58/93/14/976589314.db2.gz	NMXHKKOEYFOQTH-ZETCQYMHSA-N	-1	0	345.153	-0.402	10	0		EBAERM
C[C@H](CNS(=O)(=O)N1CCC(C(=O)[O-])CC1)S(C)(=O)=O	ZINC000697584906	976849703	/nfs/dbraw/zinc/84/97/03/976849703.db2.gz	JAUROIJNDGIZHT-MRVPVSSYSA-N	-1	0	328.412	-0.950	10	0		EBAERM
C[C@H](CS(C)(=O)=O)NS(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712794969	977596568	/nfs/dbraw/zinc/59/65/68/977596568.db2.gz	HVVJHYPEYJFJQW-XNWIYYODSA-N	-1	0	327.424	-0.018	10	0		EBAERM
CC(C)S(=O)(=O)N1CCN(Cc2noc(CCC(=O)[O-])n2)CC1	ZINC000049453243	214008198	/nfs/dbraw/zinc/00/81/98/214008198.db2.gz	SNNFFUMIFNLONS-UHFFFAOYSA-N	-1	0	346.409	-0.057	10	0		EBAERM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(C2=NCCS2)C1=O)C(=O)[O-]	ZINC000100856488	219109479	/nfs/dbraw/zinc/10/94/79/219109479.db2.gz	JRKYUZOZNWZNMZ-HTQZYQBOSA-N	-1	0	345.402	-0.461	10	0		EBAERM
CN(C(=O)C1CCN(CC(N)=O)CC1)[C@@H](C(=O)[O-])c1cccnc1	ZINC000095528685	376480016	/nfs/dbraw/zinc/48/00/16/376480016.db2.gz	VWWNJJBOJBBKCJ-CQSZACIVSA-N	-1	0	334.376	-0.137	10	0		EBAERM
CCS(=O)(=O)[N-]C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1cnn(C)c1	ZINC000408451252	376927285	/nfs/dbraw/zinc/92/72/85/376927285.db2.gz	LKFIOZXLIBMWEU-PWSUYJOCSA-N	-1	0	328.394	-0.205	10	0		EBAERM
C[C@@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O	ZINC000408479659	376948274	/nfs/dbraw/zinc/94/82/74/376948274.db2.gz	UYFJYJDUJGIINS-INTQDDNPSA-N	-1	0	344.389	-0.605	10	0		EBAERM
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Cn1c(=O)ccn(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1=O	ZINC000261920933	154205024	/nfs/dbraw/zinc/20/50/24/154205024.db2.gz	ROTVGBFAUDILAG-GFCCVEGCSA-N	-1	0	331.328	-0.121	10	0		EBAERM
COCCCS(=O)(=O)NCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1	ZINC000262084928	154211847	/nfs/dbraw/zinc/21/18/47/154211847.db2.gz	LBBDWNNLNSTDJK-NEPJUHHUSA-N	-1	0	348.421	-0.489	10	0		EBAERM
CC(C)(C)OCC[C@@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000262134799	154214893	/nfs/dbraw/zinc/21/48/93/154214893.db2.gz	LGMJIEXJNCTXMO-SECBINFHSA-N	-1	0	327.337	-0.277	10	0		EBAERM
C[C@@H]1CN(C(=O)CCn2nc3ccccn3c2=O)C[C@H](C(=O)[O-])O1	ZINC000262143823	154215089	/nfs/dbraw/zinc/21/50/89/154215089.db2.gz	KLDLVQCLKBSBES-GHMZBOCLSA-N	-1	0	334.332	-0.413	10	0		EBAERM
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CN(CCS(N)(=O)=O)S(=O)(=O)C1CCC(C(=O)[O-])CC1	ZINC000712831654	977606647	/nfs/dbraw/zinc/60/66/47/977606647.db2.gz	KVUNKYQOUJTDFL-UHFFFAOYSA-N	-1	0	328.412	-0.820	10	0		EBAERM
C[C@H](CNS(=O)(=O)C1CCC(C(=O)[O-])CC1)S(C)(=O)=O	ZINC000712837778	977609056	/nfs/dbraw/zinc/60/90/56/977609056.db2.gz	SJCQGKNDYYVYMP-XNWIYYODSA-N	-1	0	327.424	-0.018	10	0		EBAERM
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CC(=O)N/C=C/[S@](=O)C1=C(C(=O)[O-])N2C(=O)/C(=C(\C)CO)[C@H]2C1	ZINC000038931582	213230576	/nfs/dbraw/zinc/23/05/76/213230576.db2.gz	KJQZKTFSANMFQJ-LUFSYTLSSA-N	-1	0	340.357	-0.438	10	0	in-vitro	EBAERM
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CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@@H]2CCCO2)O1	ZINC000408333210	376862904	/nfs/dbraw/zinc/86/29/04/376862904.db2.gz	BABPTUFSBFBQCY-GARJFASQSA-N	-1	0	334.394	-0.753	10	0		EBAERM
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CCOC(=O)c1ccccc1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]1O	ZINC000616590944	378427853	/nfs/dbraw/zinc/42/78/53/378427853.db2.gz	VAGWLIZRDHAIKO-NVGYGPBWSA-N	-1	0	342.300	-0.866	10	0		EBAERM
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CC(C)(C)OCC[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000262134802	154214704	/nfs/dbraw/zinc/21/47/04/154214704.db2.gz	LGMJIEXJNCTXMO-VIFPVBQESA-N	-1	0	327.337	-0.277	10	0		EBAERM
Cc1ccnc2nc(C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])nn21	ZINC000262817225	154249295	/nfs/dbraw/zinc/24/92/95/154249295.db2.gz	PBWXVXSNPUPTBU-JTQLQIEISA-N	-1	0	348.363	-0.222	10	0		EBAERM
CC(C)[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C[C@@H](C)O[C@H](C)C1	ZINC000408477011	280176371	/nfs/dbraw/zinc/17/63/71/280176371.db2.gz	NFKGIBGUKRQGGI-NQBHXWOUSA-N	-1	0	334.438	-0.035	10	0		EBAERM
Cc1cc(C)n(CC(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886097211	584656138	/nfs/dbraw/zinc/65/61/38/584656138.db2.gz	UOHVLKBXMFYNML-MRXNPFEDSA-N	-1	0	336.392	-0.112	10	0		EBAERM
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COC(=O)CCN(CC(=O)[O-])C(=O)c1c(Br)nnn1C	ZINC000715741982	969082991	/nfs/dbraw/zinc/08/29/91/969082991.db2.gz	BDTAZKPWVOTZGB-UHFFFAOYSA-N	-1	0	349.141	-0.333	10	0		EBAERM
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CS(=O)(=O)CCS(=O)(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12	ZINC000711593538	977553263	/nfs/dbraw/zinc/55/32/63/977553263.db2.gz	HVLWPBDZSLXARS-KOLCDFICSA-N	-1	0	325.408	-0.310	10	0		EBAERM
Cn1cc(CN2CCNC(=O)[C@@H]2CC(=O)[O-])c(Br)n1	ZINC000712414074	977582473	/nfs/dbraw/zinc/58/24/73/977582473.db2.gz	HSEYGTWLWAHTLA-QMMMGPOBSA-N	-1	0	331.170	-0.042	10	0		EBAERM
NS(=O)(=O)CCCCNS(=O)(=O)[C@H]1CC[C@@H](C(=O)[O-])C1	ZINC000712835486	977608111	/nfs/dbraw/zinc/60/81/11/977608111.db2.gz	AYMULDJRCRGOSS-BDAKNGLRSA-N	-1	0	328.412	-0.772	10	0		EBAERM
CS(=O)(=O)[C@H]1C[C@H](NS(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC000714247956	977666552	/nfs/dbraw/zinc/66/65/52/977666552.db2.gz	INXHDLMBZOLDMX-IZLXSQMJSA-N	-1	0	340.404	-0.305	10	0		EBAERM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2cc(C)on2)C1=O)C(=O)[O-]	ZINC000016900743	211939511	/nfs/dbraw/zinc/93/95/11/211939511.db2.gz	JBJXOIZHHSHFKS-DTWKUNHWSA-N	-1	0	341.345	-0.063	10	0		EBAERM
CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCO2	ZINC000408219313	376430413	/nfs/dbraw/zinc/43/04/13/376430413.db2.gz	YZXBBKWMQXHNDE-SNVBAGLBSA-N	-1	0	328.346	-0.449	10	0		EBAERM
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CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCOC2)O1	ZINC000408335482	376865515	/nfs/dbraw/zinc/86/55/15/376865515.db2.gz	VJEYYWSAMJMSLM-SDDRHHMPSA-N	-1	0	348.421	-0.505	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)N(C(C)=O)C1	ZINC000408486633	376953836	/nfs/dbraw/zinc/95/38/36/376953836.db2.gz	TTWDMKIUCUVTBI-JGVFFNPUSA-N	-1	0	332.300	-0.370	10	0		EBAERM
CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)c1cnc2n1CCC2	ZINC000408500364	376966521	/nfs/dbraw/zinc/96/65/21/376966521.db2.gz	OKXXCTHOQPDMAZ-DTWKUNHWSA-N	-1	0	326.378	-0.642	10	0		EBAERM
COc1cc2cc[nH]c2cc1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000005639768	377211827	/nfs/dbraw/zinc/21/18/27/377211827.db2.gz	NECCHCPFFUXUOB-DKBOKBLXSA-N	-1	0	339.300	-0.553	10	0	endogenous,in-man	EBAERM
CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)[O-]	ZINC000005726664	377385219	/nfs/dbraw/zinc/38/52/19/377385219.db2.gz	FTWDVQOHUDTBER-VIFPVBQESA-N	-1	0	329.353	-0.297	10	0		EBAERM
CCCn1c(CC)nc2c1c(=O)n(CCc1nnn[n-]1)c(=O)n2C	ZINC000048546488	378088148	/nfs/dbraw/zinc/08/81/48/378088148.db2.gz	XUYQPWHJNOSIMP-UHFFFAOYSA-N	-1	0	332.368	-0.375	10	0		EBAERM
Cn1ccnc1CC1CCN(C(=O)Cn2[n-]c(=O)ccc2=O)CC1	ZINC000162454251	378367333	/nfs/dbraw/zinc/36/73/33/378367333.db2.gz	ADXGQODEXUVNDH-UHFFFAOYSA-N	-1	0	331.376	-0.249	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc(-n3cnnn3)cc2)C1	ZINC000262217348	154218104	/nfs/dbraw/zinc/21/81/04/154218104.db2.gz	ZCXGJUVRLMBPAJ-QWHCGFSZSA-N	-1	0	331.332	-0.095	10	0		EBAERM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)[C@H]1CCN(C)C(=O)C1	ZINC000262253862	154219733	/nfs/dbraw/zinc/21/97/33/154219733.db2.gz	VTCPWOFVXQDBDZ-NWDGAFQWSA-N	-1	0	339.392	-0.364	10	0		EBAERM
CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)c2cnc([O-])n(C)c2=O)C1	ZINC000408399822	157725234	/nfs/dbraw/zinc/72/52/34/157725234.db2.gz	LIHIWTJGYYRTNC-VIFPVBQESA-N	-1	0	344.393	-0.972	10	0		EBAERM
O=C([O-])[C@@H]1Cn2cnnc2CN1CCN1C(=O)c2ccccc2C1=O	ZINC000643881577	419080513	/nfs/dbraw/zinc/08/05/13/419080513.db2.gz	PBXBWCYEECCIJJ-LBPRGKRZSA-N	-1	0	341.327	-0.157	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@@H]1COCCN1CC(F)(F)F	ZINC000408476578	303818396	/nfs/dbraw/zinc/81/83/96/303818396.db2.gz	LYDAQFMPCSPGCF-QMMMGPOBSA-N	-1	0	332.300	-0.906	10	0		EBAERM
CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000689772384	976262196	/nfs/dbraw/zinc/26/21/96/976262196.db2.gz	JLLDUBXJLRBLIQ-UHFFFAOYSA-N	-1	0	326.352	-0.853	10	0		EBAERM
CO[C@@]1(C(=O)[O-])CCN(C(=O)c2c(Br)nnn2C)C1	ZINC000703786781	977203602	/nfs/dbraw/zinc/20/36/02/977203602.db2.gz	YKHYHPJAICRLCD-JTQLQIEISA-N	-1	0	333.142	-0.107	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CCS(=O)(=O)c2ccccc21	ZINC000408478377	376948636	/nfs/dbraw/zinc/94/86/36/376948636.db2.gz	QKWYKAZMXGMZLE-LLVKDONJSA-N	-1	0	345.398	-0.208	10	0		EBAERM
COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@H]1CN(C)CCO1	ZINC000136429576	380205591	/nfs/dbraw/zinc/20/55/91/380205591.db2.gz	WLBMHNNRJAYHCY-MRVPVSSYSA-N	-1	0	335.407	-0.461	10	0		EBAERM
O=C([O-])[C@@H]1CN(C(=O)NCCC2CCOCC2)CCS1(=O)=O	ZINC000333570930	155521130	/nfs/dbraw/zinc/52/11/30/155521130.db2.gz	MLUBOTXJRSEJQJ-NSHDSACASA-N	-1	0	334.394	-0.304	10	0		EBAERM
Cc1n[nH]c(C)c1S(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-]	ZINC000170306906	419076967	/nfs/dbraw/zinc/07/69/67/419076967.db2.gz	UXNGUGCBIVTSOR-JTQLQIEISA-N	-1	0	325.350	-0.050	10	0		EBAERM
CS(=O)(=O)N1CCN(C(=O)C2(O)CCCCC2)C[C@@H](C(=O)[O-])C1	ZINC000097717332	295521737	/nfs/dbraw/zinc/52/17/37/295521737.db2.gz	RFJHBHXFOYWGJD-LLVKDONJSA-N	-1	0	348.421	-0.514	10	0		EBAERM
[NH3+][C@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-]	ZINC000003996042	303481222	/nfs/dbraw/zinc/48/12/22/303481222.db2.gz	UUIYULWYHDSXHL-LLVKDONJSA-N	-1	0	333.300	-0.832	10	0	in-vitro	EBAERM
Nc1ncc(Br)cc1S(=O)(=O)NCc1nnn[n-]1	ZINC000050672829	214065913	/nfs/dbraw/zinc/06/59/13/214065913.db2.gz	TZNRYYHSUVUBSP-UHFFFAOYSA-N	-1	0	334.159	-0.582	10	0		EBAERM
NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)CC(=O)[O-])c1	ZINC000037048738	213130920	/nfs/dbraw/zinc/13/09/20/213130920.db2.gz	XVPNCACXPIHOPT-UHFFFAOYSA-N	-1	0	328.755	-0.186	10	0		EBAERM
COCC(=O)Nn1c(=O)cc2[n-]n(-c3ncccn3)c(=O)c2c1C	ZINC000072446268	216236354	/nfs/dbraw/zinc/23/63/54/216236354.db2.gz	RRBLGFIYWVEJMI-UHFFFAOYSA-N	-1	0	330.304	-0.705	10	0		EBAERM
CN1CCOC[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)COC2	ZINC000408217647	376430187	/nfs/dbraw/zinc/43/01/87/376430187.db2.gz	MVNFFWYMIGUDBJ-CYBMUJFWSA-N	-1	0	326.374	-0.148	10	0		EBAERM
CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)[C@H]2COCCN2C)s1	ZINC000408334308	376865343	/nfs/dbraw/zinc/86/53/43/376865343.db2.gz	NHWDDDISMBHRPS-MRVPVSSYSA-N	-1	0	348.406	-0.763	10	0		EBAERM
O=S(=O)([N-]CC(F)(F)F)NC[C@H]1COC2(CCOCC2)O1	ZINC000377189893	376885628	/nfs/dbraw/zinc/88/56/28/376885628.db2.gz	RWNVXDAARDTFKH-QMMMGPOBSA-N	-1	0	334.316	-0.105	10	0		EBAERM
Cc1csc2ncc(C(=O)[N-]S(=O)(=O)C3COC3)c(=O)n12	ZINC000408480008	376951571	/nfs/dbraw/zinc/95/15/71/376951571.db2.gz	VJJFKOFGRZIFKM-UHFFFAOYSA-N	-1	0	329.359	-0.477	10	0		EBAERM
O=C([O-])[C@H](Cn1cc(F)c(=O)[nH]c1=O)NC(=O)C1CCCCC1	ZINC000067896149	257845232	/nfs/dbraw/zinc/84/52/32/257845232.db2.gz	MREJHSFZJPFEQR-JTQLQIEISA-N	-1	0	327.312	-0.175	10	0		EBAERM
CCC[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)C(=O)[O-]	ZINC000262115718	154213655	/nfs/dbraw/zinc/21/36/55/154213655.db2.gz	HTTYNBDKTALISW-SNVBAGLBSA-N	-1	0	327.362	-0.147	10	0		EBAERM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1CCN(C)C(=O)C1	ZINC000262253859	154220037	/nfs/dbraw/zinc/22/00/37/154220037.db2.gz	VTCPWOFVXQDBDZ-NEPJUHHUSA-N	-1	0	339.392	-0.364	10	0		EBAERM
O=C([N-]S(=O)(=O)C1CCC1)[C@@H]1CC[C@H](C(=O)N2CCOCC2)O1	ZINC000408334777	157721132	/nfs/dbraw/zinc/72/11/32/157721132.db2.gz	QLIONSZRQKSUCK-NWDGAFQWSA-N	-1	0	346.405	-0.609	10	0		EBAERM
NC(=O)c1ccc(S(=O)(=O)N2CCSC[C@@H]2C(=O)[O-])cc1	ZINC000110297944	303345509	/nfs/dbraw/zinc/34/55/09/303345509.db2.gz	WELWUKXAQBTXCV-SNVBAGLBSA-N	-1	0	330.387	-0.024	10	0		EBAERM
O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CCS1(=O)=O	ZINC000333602027	545866349	/nfs/dbraw/zinc/86/63/49/545866349.db2.gz	QQLABQXXAZAPGB-SRVKXCTJSA-N	-1	0	346.405	-0.163	10	0		EBAERM
O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CCS1(=O)=O	ZINC000333602036	545866520	/nfs/dbraw/zinc/86/65/20/545866520.db2.gz	QQLABQXXAZAPGB-WOPDTQHZSA-N	-1	0	346.405	-0.163	10	0		EBAERM
CN(CCC(=O)[O-])S(=O)(=O)N(C)CC(C)(C)S(C)(=O)=O	ZINC000713963073	977659146	/nfs/dbraw/zinc/65/91/46/977659146.db2.gz	OPBOMQAGUGJQRC-UHFFFAOYSA-N	-1	0	330.428	-0.607	10	0		EBAERM
CC(C)(CNS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1)NS(C)(=O)=O	ZINC000723262377	978186972	/nfs/dbraw/zinc/18/69/72/978186972.db2.gz	QEIPKSKEWKPANB-OCAPTIKFSA-N	-1	0	328.412	-0.903	10	0		EBAERM
Cn1cc(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-]	ZINC000037982272	213181765	/nfs/dbraw/zinc/18/17/65/213181765.db2.gz	UKIUYZCVTLYLJK-QMMMGPOBSA-N	-1	0	336.391	-0.564	10	0		EBAERM
CCCc1cc(=O)[nH]c(=S)n1[C@@H]1O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]1O	ZINC000255972489	284106493	/nfs/dbraw/zinc/10/64/93/284106493.db2.gz	FRRSJAKAIDIIKX-UNQZSWDGSA-N	-1	0	346.361	-0.665	10	0		EBAERM
CN1c2ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])cc2C(C)(C)C1=O	ZINC000032917597	376050166	/nfs/dbraw/zinc/05/01/66/376050166.db2.gz	ZLEDLSZPISBZEX-SNVBAGLBSA-N	-1	0	342.373	-0.336	10	0		EBAERM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCOC[C@H]1C(N)=O	ZINC000158798658	376033117	/nfs/dbraw/zinc/03/31/17/376033117.db2.gz	RFLMMJMRCAMPEQ-ZETCQYMHSA-N	-1	0	334.375	-0.370	10	0		EBAERM
O=C([O-])[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000030728760	376034280	/nfs/dbraw/zinc/03/42/80/376034280.db2.gz	IQOASJJGUQMXDW-GHQVIJFQSA-N	-1	0	325.528	-0.735	10	0	endogenous,in-man	EBAERM
C[C@@H]1CC(=O)N[C@H](C(=O)[N-]S(=O)(=O)c2cnn3c2OCCC3)C1	ZINC000408159894	376393371	/nfs/dbraw/zinc/39/33/71/376393371.db2.gz	TWHRFMROMFRBGY-IUCAKERBSA-N	-1	0	342.377	-0.615	10	0		EBAERM
CN(C(=O)C1CCN(CC(N)=O)CC1)[C@H](C(=O)[O-])c1cccnc1	ZINC000095528684	376481317	/nfs/dbraw/zinc/48/13/17/376481317.db2.gz	VWWNJJBOJBBKCJ-AWEZNQCLSA-N	-1	0	334.376	-0.137	10	0		EBAERM
CN(C)C(=O)[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)C[C@H]2CCCO2)O1	ZINC000408333211	376863113	/nfs/dbraw/zinc/86/31/13/376863113.db2.gz	BABPTUFSBFBQCY-OUAUKWLOSA-N	-1	0	334.394	-0.753	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)c1ccc2c(c1)nc1n(c2=O)CCC1	ZINC000408475138	376945832	/nfs/dbraw/zinc/94/58/32/376945832.db2.gz	BVTLWTXJBBKTNE-UHFFFAOYSA-N	-1	0	349.368	-0.199	10	0		EBAERM
O=C([N-]S(=O)(=O)C1COC1)[C@@H]1CC(=O)N(CC(F)(F)F)C1	ZINC000408475168	376946861	/nfs/dbraw/zinc/94/68/61/376946861.db2.gz	CAZSSANEOAHZIH-ZCFIWIBFSA-N	-1	0	330.284	-0.758	10	0		EBAERM
CO[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)CC(C)C)N(S(C)(=O)=O)C1	ZINC000408489008	376959190	/nfs/dbraw/zinc/95/91/90/376959190.db2.gz	OWOBFTOTTKEWRE-VHSXEESVSA-N	-1	0	342.439	-0.863	10	0		EBAERM
COC(=O)C([O-])=C(C(=O)OC)C(=O)C(=O)Nc1cccc(OC)c1	ZINC000198718790	378412659	/nfs/dbraw/zinc/41/26/59/378412659.db2.gz	GBYYMPFZZFRJDC-SNVBAGLBSA-N	-1	0	337.284	-0.266	10	0		EBAERM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000584651142	381234685	/nfs/dbraw/zinc/23/46/85/381234685.db2.gz	AZSDMKBUXIIJQA-NGZCFLSTSA-N	-1	0	331.369	-0.701	10	0		EBAERM
Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1[nH]nc2c1C[NH2+]CC2	ZINC000262760044	154245531	/nfs/dbraw/zinc/24/55/31/154245531.db2.gz	FTVZPWNFEZXWQV-UHFFFAOYSA-N	-1	0	341.375	-0.062	10	0		EBAERM
NC(=O)[C@H]1CC[C@H](CNC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)O1	ZINC000263220222	154254883	/nfs/dbraw/zinc/25/48/83/154254883.db2.gz	KLBXBZCVRWUSIP-MYQWFSQQSA-N	-1	0	325.365	-0.084	10	0		EBAERM
Cc1cc(C)n(CC(=O)N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)n1	ZINC000886097210	584656142	/nfs/dbraw/zinc/65/61/42/584656142.db2.gz	UOHVLKBXMFYNML-INIZCTEOSA-N	-1	0	336.392	-0.112	10	0		EBAERM
CS(=O)(=O)CCS(=O)(=O)N(CC(=O)[O-])CC(F)(F)F	ZINC000092436263	649972404	/nfs/dbraw/zinc/97/24/04/649972404.db2.gz	FOWOAMYWKORSBC-UHFFFAOYSA-N	-1	0	327.302	-0.690	10	0		EBAERM
CC(=O)[C@H](C)n1c(N[C@@H](C)C(=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000606629554	685786709	/nfs/dbraw/zinc/78/67/09/685786709.db2.gz	BFMMYNSNRNGKKZ-BQBZGAKWSA-N	-1	0	337.336	-0.531	10	0		EBAERM
CS(=O)(=O)NCCCNS(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694152258	976671452	/nfs/dbraw/zinc/67/14/52/976671452.db2.gz	VLKWTQRUACHFPF-UHFFFAOYSA-N	-1	0	326.352	-0.805	10	0		EBAERM
NS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)CCCC(=O)[O-]	ZINC000694797006	976724490	/nfs/dbraw/zinc/72/44/90/976724490.db2.gz	XNSHQLMGXJMPME-VIFPVBQESA-N	-1	0	328.412	-0.676	10	0		EBAERM
CO[C@]1(C(=O)[O-])CCN(C(=O)c2c(Br)nnn2C)C1	ZINC000703786784	977204642	/nfs/dbraw/zinc/20/46/42/977204642.db2.gz	YKHYHPJAICRLCD-SNVBAGLBSA-N	-1	0	333.142	-0.107	10	0		EBAERM
CC(C)(CNS(C)(=O)=O)NS(=O)(=O)[C@H]1C[C@@H](C(=O)[O-])C1	ZINC000723248457	978180951	/nfs/dbraw/zinc/18/09/51/978180951.db2.gz	NHFVJTDIIPKHSR-OCAPTIKFSA-N	-1	0	328.412	-0.903	10	0		EBAERM
O=C([O-])[C@H]1CSCN1C(=O)CS[C@H]1CCS(=O)(=O)C1	ZINC000037454831	213148431	/nfs/dbraw/zinc/14/84/31/213148431.db2.gz	AIMPRPWEWPAETN-JGVFFNPUSA-N	-1	0	325.433	-0.107	10	0		EBAERM
O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	ZINC000038026941	304074963	/nfs/dbraw/zinc/07/49/63/304074963.db2.gz	WQDXVRXKVDXYLX-VHSXEESVSA-N	-1	0	325.408	-0.168	10	0		EBAERM
CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC000262187054	283439691	/nfs/dbraw/zinc/43/96/91/283439691.db2.gz	RRHUGLYQZOZCQA-UTUOFQBUSA-N	-1	0	348.421	-0.109	10	0		EBAERM
[NH3+][C@@H](CCS(=O)(=O)Nc1cccc(S(=O)(=O)[O-])c1)C(=O)[O-]	ZINC000149329777	375917827	/nfs/dbraw/zinc/91/78/27/375917827.db2.gz	VCIJWOXSEAEOPB-VIFPVBQESA-N	-1	0	338.363	-0.523	10	0		EBAERM
CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)Cn1[n-]c(=O)ccc1=O	ZINC000152241144	376592370	/nfs/dbraw/zinc/59/23/70/376592370.db2.gz	RBVCZBKMGZLRHU-JTQLQIEISA-N	-1	0	332.364	-0.097	10	0		EBAERM
CS(=O)(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc[nH]2)CCO1	ZINC000328603118	376609432	/nfs/dbraw/zinc/60/94/32/376609432.db2.gz	DWJBHNQAKXUYMM-JTQLQIEISA-N	-1	0	345.377	-0.798	10	0		EBAERM
O=C([N-]S(=O)(=O)[C@H]1CCCOC1)c1cnc2c(c1)NC(=O)CO2	ZINC000408405075	376725546	/nfs/dbraw/zinc/72/55/46/376725546.db2.gz	BMFDTDHRBZGLKF-VIFPVBQESA-N	-1	0	341.345	-0.349	10	0		EBAERM
CNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)cn1	ZINC000408301872	376843621	/nfs/dbraw/zinc/84/36/21/376843621.db2.gz	VRWKWDFSYTZTFI-SDDRHHMPSA-N	-1	0	325.390	-0.167	10	0		EBAERM
C[C@H](C(=O)[N-]S(=O)(=O)C1COC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	ZINC000408479917	376948137	/nfs/dbraw/zinc/94/81/37/376948137.db2.gz	UYFJYJDUJGIINS-MIMYLULJSA-N	-1	0	344.389	-0.605	10	0		EBAERM
CC[C@@H]1O[C@H](O)[C@@H](C)[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@@H]2C)[C@@H]1O	ZINC000616590173	378390329	/nfs/dbraw/zinc/39/03/29/378390329.db2.gz	WEVBTPITEJOZNJ-KRIVXLGWSA-N	-1	0	332.349	-0.182	10	0		EBAERM
CCN1C[C@H](C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1=O	ZINC000262078152	154211784	/nfs/dbraw/zinc/21/17/84/154211784.db2.gz	BDTBEDFJIJRAAM-VXGBXAGGSA-N	-1	0	339.392	-0.364	10	0		EBAERM
O=C([O-])[C@H]1CN(C(=O)NCCC2CCOCC2)CCS1(=O)=O	ZINC000333570919	155521663	/nfs/dbraw/zinc/52/16/63/155521663.db2.gz	MLUBOTXJRSEJQJ-LLVKDONJSA-N	-1	0	334.394	-0.304	10	0		EBAERM
C[C@@H]1C[C@H](CNC(=O)N2CCS(=O)(=O)[C@@H](C(=O)[O-])C2)CCO1	ZINC000333594358	545866409	/nfs/dbraw/zinc/86/64/09/545866409.db2.gz	POBPLDTVNJIHLZ-GMTAPVOTSA-N	-1	0	334.394	-0.305	10	0		EBAERM
CN(CCNS(C)(=O)=O)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000689773384	976262336	/nfs/dbraw/zinc/26/23/36/976262336.db2.gz	NYHPYUSLRROMBC-UHFFFAOYSA-N	-1	0	342.420	-0.384	10	0		EBAERM
CS(=O)(=O)CCS(=O)(=O)N[C@@H](Cc1cncs1)C(=O)[O-]	ZINC000719074876	977991495	/nfs/dbraw/zinc/99/14/95/977991495.db2.gz	JFUDMTDQGDHNFA-QMMMGPOBSA-N	-1	0	342.420	-0.897	10	0		EBAERM
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