smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCN2[C@H](c3ccccc3)C(=[N+]([O-])[O-])[C@@H](c3ccccc3)N12	ZINC000005684651	353994663	/nfs/dbraw/zinc/99/46/63/353994663.db2.gz	ZGMOOSQBBYEDIT-IAGOWNOFSA-N	-1	0	323.352	2.272	40	30		DEEBRM
CCOc1cc(CN=Nc2nnn[n-]2)cc(Cl)c1OCC	ZINC000006350953	181333415	/nfs/dbraw/zinc/33/34/15/181333415.db2.gz	LMTFPJQQEWHIKV-VGOFMYFVSA-N	-1	0	310.745	2.097	40	30		DEEBRM
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])c1ccc(O)cc1	ZINC000006025557	181306939	/nfs/dbraw/zinc/30/69/39/181306939.db2.gz	YQUBTJNVIFVWSP-BQYQJAHWSA-N	-1	0	308.293	2.230	40	30		DEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@@H](C)CC	ZINC000217436267	201516726	/nfs/dbraw/zinc/51/67/26/201516726.db2.gz	YTHMCQOCUQDQDY-JTQLQIEISA-N	-1	0	312.391	2.060	40	30		DEEBRM
O=C([O-])C1C(=O)C=C2C[C@@H](CCCCCCCO)OC=C2C1=O	ZINC000514288067	257216190	/nfs/dbraw/zinc/21/61/90/257216190.db2.gz	MTIUKAJEIXYJIF-GFCCVEGCSA-N	-1	0	322.357	2.398	40	30	biogenic,in-vitro	DEEBRM
Cc1c(/N=C/c2ccc(OCC(N)=O)cc2)cccc1C(=O)[O-]	ZINC000408962371	227249828	/nfs/dbraw/zinc/24/98/28/227249828.db2.gz	HVDBTCWISHPCSC-DJKKODMXSA-N	-1	0	312.325	2.308	40	30		DEEBRM
Nc1nonc1OCC/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000100426568	402141274	/nfs/dbraw/zinc/14/12/74/402141274.db2.gz	CICWCBNCBHDOAI-PJQLUOCWSA-N	-1	0	317.132	2.162	40	30		DEEBRM
C=CCc1ccccc1OCc1nc(C)c(CC(=O)[O-])c(=O)[nH]1	ZINC000217390968	563867841	/nfs/dbraw/zinc/86/78/41/563867841.db2.gz	LEFWIFYPUBBNGR-UHFFFAOYSA-N	-1	0	314.341	2.013	40	30		DEEBRM
O=C(C=Cc1c(=O)[nH]c2ncccc2c1[O-])Cc1ccccc1	ZINC000006694644	181370664	/nfs/dbraw/zinc/37/06/64/181370664.db2.gz	OGKHWVOPJOUYJN-CMDGGOBGSA-N	-1	0	306.321	2.454	40	30		DEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCC	ZINC000217436063	402292563	/nfs/dbraw/zinc/29/25/63/402292563.db2.gz	OKUJAFAFQGPQBH-UHFFFAOYSA-N	-1	0	312.391	2.061	40	30		DEEBRM
C=CCc1ccccc1OCc1ncc(CCC(=O)[O-])c(=O)[nH]1	ZINC000223443593	402310929	/nfs/dbraw/zinc/31/09/29/402310929.db2.gz	MUGAUCOZDWCKSK-UHFFFAOYSA-N	-1	0	314.341	2.095	40	30		DEEBRM
O=[N+]([O-])c1cccnc1N=NCc1ccc([O-])c([N+](=O)[O-])c1	ZINC000408961799	227249004	/nfs/dbraw/zinc/24/90/04/227249004.db2.gz	FEHKVYRBZNWFSE-VGOFMYFVSA-N	-1	0	303.234	2.050	40	30		DEEBRM
O=C1[C@H]2[C@H](C(=O)N1[O-])[C@@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl	ZINC000004566982	304719973	/nfs/dbraw/zinc/71/99/73/304719973.db2.gz	CILOQPOHAAIBQV-BNFJTBOVSA-N	-1	0	316.955	2.039	40	30		DEEBRM
N#Cc1cccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c1	ZINC000039957030	183025012	/nfs/dbraw/zinc/02/50/12/183025012.db2.gz	QPZRIEZBUQAEHK-MRXNPFEDSA-N	-1	0	324.336	2.480	40	30		DEEBRM
Cc1cc(C)nc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)n1	ZINC000005697933	401730078	/nfs/dbraw/zinc/73/00/78/401730078.db2.gz	DIZSWDSSOHQTPI-UDPFGDFPSA-N	-1	0	314.345	2.391	40	30		DEEBRM
N#Cc1ccccc1C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039957027	183025435	/nfs/dbraw/zinc/02/54/35/183025435.db2.gz	FYMYTJVKIJDDOQ-INIZCTEOSA-N	-1	0	324.336	2.480	40	30		DEEBRM
C=CCNS(=O)(=O)c1ccc(N[C@@H](C)CC)c(C(=O)[O-])c1	ZINC000217567412	402292821	/nfs/dbraw/zinc/29/28/21/402292821.db2.gz	SYRGEQUSKLOZQK-JTQLQIEISA-N	-1	0	312.391	2.060	40	30		DEEBRM
C=CCNc1ccc(S(=O)(=O)N[C@H](C)CC)cc1C(=O)[O-]	ZINC000217557747	402292874	/nfs/dbraw/zinc/29/28/74/402292874.db2.gz	AGFWLJJWGKNQLN-SNVBAGLBSA-N	-1	0	312.391	2.060	40	30		DEEBRM
C=CCNc1ccc(S(=O)(=O)NCCCC)cc1C(=O)[O-]	ZINC000217549284	402293035	/nfs/dbraw/zinc/29/30/35/402293035.db2.gz	RVPWQRIQGGWCCA-UHFFFAOYSA-N	-1	0	312.391	2.061	40	30		DEEBRM
CCNC(=S)N/N=C/c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000005952621	181300228	/nfs/dbraw/zinc/30/02/28/181300228.db2.gz	QZKPEPLWNWYKIG-RQZCQDPDSA-N	-1	0	317.370	2.463	40	30		DEEBRM
CCn1c(=O)c(/C=N/C2=NCCS2)c([O-])c2ccccc21	ZINC000100192903	402140302	/nfs/dbraw/zinc/14/03/02/402140302.db2.gz	RWMWHLBNEOBGNT-RQZCQDPDSA-N	-1	0	301.371	2.249	40	30		DEEBRM
Cc1ccc(C(=O)[O-])cc1/N=C\c1ccc(OCC(N)=O)cc1	ZINC000408961519	301532111	/nfs/dbraw/zinc/53/21/11/301532111.db2.gz	CPMJCTFLLKJHRI-OCKHKDLRSA-N	-1	0	312.325	2.308	40	30		DEEBRM
CCOC(=O)CCSc1sc2c([nH]c(=O)cc2[O-])c1C#N	ZINC000019624524	257211943	/nfs/dbraw/zinc/21/19/43/257211943.db2.gz	SXBPKSFDWXKNCP-UHFFFAOYSA-N	-1	0	324.383	2.212	40	30		DEEBRM
C=CC[C@H]1N(c2ccccc2)C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@]12O3	ZINC000000485779	401699665	/nfs/dbraw/zinc/69/96/65/401699665.db2.gz	CVIIEVKDNDVREO-VPKNTQAGSA-N	-1	0	311.337	2.002	40	30		DEEBRM
Cc1ccc(S(=O)([O-])=NC(=O)NNc2ccc(F)cc2)cc1	ZINC000001857852	401711066	/nfs/dbraw/zinc/71/10/66/401711066.db2.gz	LRIYKBIMNVLNTR-UHFFFAOYSA-N	-1	0	323.349	2.354	40	30		DEEBRM
N#Cc1c(NC(=O)CSCC(=O)[O-])sc2c1CCCC2	ZINC000005018215	303177597	/nfs/dbraw/zinc/17/75/97/303177597.db2.gz	LBEZMBMJHHVHCA-UHFFFAOYSA-N	-1	0	310.400	2.255	40	30		DEEBRM
C=CC(C)(C)c1[nH]c2ccccc2c1C=c1[n-]c(=O)c(=C)[nH]c1=O	ZINC000253534716	563814689	/nfs/dbraw/zinc/81/46/89/563814689.db2.gz	GVVVEKSVCAGUTP-UHFFFAOYSA-N	-1	0	321.380	2.072	40	30	biogenic,in-vitro	DEEBRM
CC(C)(C)c1nnc(NN=Cc2c[nH]c3ccccc23)[n-]c1=O	ZINC000016777012	182060215	/nfs/dbraw/zinc/06/02/15/182060215.db2.gz	UJRKOIVGFGZQHI-GIJQJNRQSA-N	-1	0	310.361	2.390	40	30		DEEBRM
CC(N=Nc1ccc(Br)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000016137183	401819103	/nfs/dbraw/zinc/81/91/03/401819103.db2.gz	LKPZEOQEIVZAJJ-VZUCSPMQSA-N	-1	0	302.084	2.230	40	30		DEEBRM
CCCCCCCCN(CCOCCO)C(=O)CCC(=O)[O-]	ZINC000100924223	402142777	/nfs/dbraw/zinc/14/27/77/402142777.db2.gz	AHGDMNVTECLVSW-UHFFFAOYSA-N	-1	0	317.426	2.049	40	30		DEEBRM
C=CCNS(=O)(=O)c1ccc(N[C@H](C)CC)c(C(=O)[O-])c1	ZINC000217567483	402293116	/nfs/dbraw/zinc/29/31/16/402293116.db2.gz	SYRGEQUSKLOZQK-SNVBAGLBSA-N	-1	0	312.391	2.060	40	30		DEEBRM
C#CNc1nc(C)cc(-c2c([O-])c3ccccc3n(C)c2=O)n1	ZINC000101631682	277699934	/nfs/dbraw/zinc/69/99/34/277699934.db2.gz	ZRXOMLXNCAUDRR-UHFFFAOYSA-N	-1	0	306.325	2.012	40	30		DEEBRM
Cc1ccc(S(=O)(=O)N/N=C/C(=N\[O-])c2ccccc2)cc1	ZINC000005545465	181255401	/nfs/dbraw/zinc/25/54/01/181255401.db2.gz	MCBDQSMUIVNLBO-HQJKSCAWSA-N	-1	0	317.370	2.138	40	30		DEEBRM
N#Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005681513	181271445	/nfs/dbraw/zinc/27/14/45/181271445.db2.gz	ZHOUFDFPVQDVNN-UHFFFAOYSA-N	-1	0	303.299	2.267	40	30		DEEBRM
CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N\c1ccc(OC)cc1	ZINC000020608960	182238749	/nfs/dbraw/zinc/23/87/49/182238749.db2.gz	RRLZOVLBVSRXPS-ICFTUWFRSA-N	-1	0	308.359	2.121	40	30		DEEBRM
CS[C@@H]1C(C(=O)c2cccc(C)c2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716219	257128865	/nfs/dbraw/zinc/12/88/65/257128865.db2.gz	BTDHIXWDFMSUCE-MRXNPFEDSA-N	-1	0	319.382	2.110	40	30		DEEBRM
C[C@@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)=C([O-])N1	ZINC000014608376	401812919	/nfs/dbraw/zinc/81/29/19/401812919.db2.gz	RXONWEYRZJIXMA-OCCSQVGLSA-N	-1	0	308.385	2.376	40	30		DEEBRM
C#CCOc1c(C)cc(I)cc1C(=O)[O-]	ZINC000225279389	402315793	/nfs/dbraw/zinc/31/57/93/402315793.db2.gz	ASDFIMPLFOXRNE-UHFFFAOYSA-N	-1	0	316.094	2.310	40	30		DEEBRM
O=C([O-])COc1cccc(/C=C2/C(=O)ON=C2c2ccccc2)c1	ZINC000409079860	227248507	/nfs/dbraw/zinc/24/85/07/227248507.db2.gz	GQKKJOROXNWXQA-XNTDXEJSSA-N	-1	0	323.304	2.495	40	30		DEEBRM
C/C(=N\c1cccc(N)n1)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100362677	277732203	/nfs/dbraw/zinc/73/22/03/277732203.db2.gz	XQRJANZBCSAPHG-VXLYETTFSA-N	-1	0	308.341	2.362	40	30		DEEBRM
COC(=O)C(C#N)=N[N-]c1cc(-c2ccc(Cl)cc2)[nH]n1	ZINC000005027273	181192259	/nfs/dbraw/zinc/19/22/59/181192259.db2.gz	LDZRGVIBVLXTKJ-BOPFTXTBSA-N	-1	0	303.709	2.195	40	30		DEEBRM
O=C([O-])C[C@H]1C(=O)N/C(=N/c2ccccc2)N1c1ccccc1	ZINC000002710417	304082258	/nfs/dbraw/zinc/08/22/58/304082258.db2.gz	MFPOLKCSPLVQCJ-AWEZNQCLSA-N	-1	0	309.325	2.154	40	30		DEEBRM
O=[N+]([O-])c1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1	ZINC000001091204	401704431	/nfs/dbraw/zinc/70/44/31/401704431.db2.gz	OPJYFYUOWDDIBD-RZNTYIFUSA-N	-1	0	317.252	2.376	40	30		DEEBRM
O=[N+]([O-])c1cc(C=NNc2ccccn2)c([O-])c([N+](=O)[O-])c1	ZINC000103891243	402194464	/nfs/dbraw/zinc/19/44/64/402194464.db2.gz	MRMSITJFCDXBLY-AUWJEWJLSA-N	-1	0	303.234	2.050	40	30		DEEBRM
O=C(/C=N\[O-])Nc1cccc(Cl)c1I	ZINC000104298652	402201979	/nfs/dbraw/zinc/20/19/79/402201979.db2.gz	QIZHZMIKFHWTLL-WCIBSUBMSA-N	-1	0	324.505	2.343	40	30		DEEBRM
CNC(=S)N/N=C\c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000409210470	529954921	/nfs/dbraw/zinc/95/49/21/529954921.db2.gz	IZKAMXNRTLCSRE-PXNMLYILSA-N	-1	0	303.343	2.073	40	30		DEEBRM
CCN1C=CC(=C(C=C2C=CC(=O)C=C2)CS(=O)(=O)[O-])C=C1	ZINC000004903987	285179472	/nfs/dbraw/zinc/17/94/72/285179472.db2.gz	WPOAPUBQPRZJJL-UHFFFAOYSA-N	-1	0	319.382	2.155	40	30		DEEBRM
N#Cc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000039957031	183024868	/nfs/dbraw/zinc/02/48/68/183024868.db2.gz	HNPWZDAPPQRAAF-MRXNPFEDSA-N	-1	0	324.336	2.480	40	30		DEEBRM
CC(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000009189431	401759745	/nfs/dbraw/zinc/75/97/45/401759745.db2.gz	DTEAZCJUKPARQD-LUMBYOQCSA-N	-1	0	319.386	2.206	40	30		DEEBRM
COc1ccc(/C=C/C(=O)c2c([O-])cc(O)cc2O)cc1O	ZINC000071255860	402271340	/nfs/dbraw/zinc/27/13/40/402271340.db2.gz	CMFGBLHCLKLQIG-DUXPYHPUSA-N	-1	0	302.282	2.414	40	30		DEEBRM
C=CC/N=c1\sc(CC)c([O-])n1S(=O)(=O)c1ccccc1	ZINC000004426551	518683869	/nfs/dbraw/zinc/68/38/69/518683869.db2.gz	MLGWVPODBLLNEA-DKASORFFSA-N	-1	0	324.427	2.271	40	30		DEEBRM
CC(N=Nc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000005184047	181214410	/nfs/dbraw/zinc/21/44/10/181214410.db2.gz	UUVGBPKCJULNMJ-NYYWCZLTSA-N	-1	0	302.630	2.029	40	30		DEEBRM
COc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000031638532	182618273	/nfs/dbraw/zinc/61/82/73/182618273.db2.gz	QJFPXIKJFHTUHK-GDNBJRDFSA-N	-1	0	306.343	2.388	40	30		DEEBRM
CC(C)=N/N=C1\S[C@@H](CC(=O)[O-])C(=O)N1Cc1ccccc1	ZINC000001466317	401707689	/nfs/dbraw/zinc/70/76/89/401707689.db2.gz	OEHNDTPTUSSVGQ-JTFSYWPOSA-N	-1	0	319.386	2.357	40	30		DEEBRM
CCc1n[n-]c(=S)n1N=Cc1c(OC)cc(OC)cc1OC	ZINC000008315206	401751462	/nfs/dbraw/zinc/75/14/62/401751462.db2.gz	BCVSYZLCTQAHQL-OVCLIPMQSA-N	-1	0	322.390	2.411	40	30		DEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000016451078	401819708	/nfs/dbraw/zinc/81/97/08/401819708.db2.gz	NSXSFPPGHITILL-BGARDKSCSA-N	-1	0	323.377	2.453	40	30		DEEBRM
O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000031638525	401872435	/nfs/dbraw/zinc/87/24/35/401872435.db2.gz	NMZDLEPFUVJMOF-ZROIWOOFSA-N	-1	0	321.314	2.288	40	30		DEEBRM
C=CCNc1nc(O)c(CC(=O)Nc2cccc(Cl)c2)s1	ZINC000001622432	401709270	/nfs/dbraw/zinc/70/92/70/401709270.db2.gz	GYUBDLAWWGIGOY-LLVKDONJSA-N	-1	0	323.805	2.442	40	30		DEEBRM
CCc1n[n-]c(=S)n1N=Cc1ccc(OC)c([N+](=O)[O-])c1	ZINC000005547814	353994088	/nfs/dbraw/zinc/99/40/88/353994088.db2.gz	BVTQVZUSQZULBD-NTUHNPAUSA-N	-1	0	307.335	2.302	40	30		DEEBRM
CS[C@H]1C(C(=O)c2ccc(C)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716202	257128739	/nfs/dbraw/zinc/12/87/39/257128739.db2.gz	RLCMZXHIZJZICM-INIZCTEOSA-N	-1	0	319.382	2.110	40	30		DEEBRM
N/C(=N\O)c1cc(Br)c([O-])c(Br)c1	ZINC000008376389	303219304	/nfs/dbraw/zinc/21/93/04/303219304.db2.gz	OZHZBVZXGAYUFT-UHFFFAOYSA-N	-1	0	309.945	2.012	40	30		DEEBRM
C=CCn1c(SCC(=O)[O-])nnc1-c1cccc(Cl)c1	ZINC000008554887	401754141	/nfs/dbraw/zinc/75/41/41/401754141.db2.gz	GBIRATXNFQZFIA-UHFFFAOYSA-O	-1	0	310.786	2.380	40	30		DEEBRM
CCN1C(=O)[C@H](CC(=O)[O-])S/C1=N/c1cccc(OC)c1	ZINC000107037610	402225209	/nfs/dbraw/zinc/22/52/09/402225209.db2.gz	NCLXFDLPEGEABE-AKCBPTIMSA-N	-1	0	308.359	2.121	40	30		DEEBRM
CCOc1ccc(Cl)cc1C=Nn1c(=O)c(C)n[n-]c1=S	ZINC000408842187	528470978	/nfs/dbraw/zinc/47/09/78/528470978.db2.gz	NOHIAYRNDJQIJR-VIZOYTHASA-N	-1	0	324.793	2.170	40	30		DEEBRM
COc1ccc(/C(CNC(=O)OC(C)(C)C)=N/[O-])cc1OC	ZINC000012357090	401783825	/nfs/dbraw/zinc/78/38/25/401783825.db2.gz	ZJXCKPDULNUMMF-GZTJUZNOSA-N	-1	0	310.350	2.407	40	30		DEEBRM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CNc1ccccc1	ZINC000016451077	401819304	/nfs/dbraw/zinc/81/93/04/401819304.db2.gz	NSXSFPPGHITILL-XWAFYUISSA-N	-1	0	323.377	2.453	40	30		DEEBRM
C=CCNS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1	ZINC000217567900	402292953	/nfs/dbraw/zinc/29/29/53/402292953.db2.gz	FOEDCRYNVZLQDW-UHFFFAOYSA-N	-1	0	324.402	2.204	40	30		DEEBRM
Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2C(=O)[O-])cc1	ZINC000006030495	181306852	/nfs/dbraw/zinc/30/68/52/181306852.db2.gz	LVQIGIJGONXNTE-MHWRWJLKSA-N	-1	0	318.354	2.006	40	30		DEEBRM
NC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2C(=O)[O-])o1	ZINC000006220159	181320559	/nfs/dbraw/zinc/32/05/59/181320559.db2.gz	OXBAOCOKMGBZIY-OMCISZLKSA-N	-1	0	323.761	2.465	40	30		DEEBRM
C/N=C1/S/C(=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)N1C	ZINC000006587191	181357808	/nfs/dbraw/zinc/35/78/08/181357808.db2.gz	RIEKPQHOFQHKKI-CRVGSSDUSA-N	-1	0	320.370	2.070	40	30		DEEBRM
C/N=C1\S/C(=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)N1C	ZINC000096483418	193665207	/nfs/dbraw/zinc/66/52/07/193665207.db2.gz	RIEKPQHOFQHKKI-AOOUYJMTSA-N	-1	0	320.370	2.070	40	30		DEEBRM
N#Cc1cn(-c2c3ccccc3nc3ccccc32)c(=O)[n-]c1=O	ZINC000005594133	256519242	/nfs/dbraw/zinc/51/92/42/256519242.db2.gz	QQLHXMPAXNMATQ-UHFFFAOYSA-N	-1	0	314.304	2.099	40	30		DEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccccc2)[C@@H]1SC	ZINC000062716306	257128859	/nfs/dbraw/zinc/12/88/59/257128859.db2.gz	AZLHRNNXXVVYNT-INIZCTEOSA-N	-1	0	319.382	2.192	40	30		DEEBRM
Cc1cc(C)c(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)o1	ZINC000079150673	185160360	/nfs/dbraw/zinc/16/03/60/185160360.db2.gz	UTPQBPLYBQLLMB-LLVKDONJSA-N	-1	0	301.364	2.100	40	30		DEEBRM
C/N=C1\S/C(=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)C(=O)N1C	ZINC000106101540	355722265	/nfs/dbraw/zinc/72/22/65/355722265.db2.gz	RIEKPQHOFQHKKI-VEUDQKTNSA-N	-1	0	320.370	2.070	40	30		DEEBRM
C[C@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)=C([O-])N1	ZINC000014608375	291170138	/nfs/dbraw/zinc/17/01/38/291170138.db2.gz	RXONWEYRZJIXMA-GXTWGEPZSA-N	-1	0	308.385	2.376	40	30		DEEBRM
COc1c(Cl)cc(CN=Nc2nnn[n-]2)cc1OC(C)C	ZINC000006762715	181384514	/nfs/dbraw/zinc/38/45/14/181384514.db2.gz	WFXPHTOJUUXZDY-MKMNVTDBSA-N	-1	0	310.745	2.095	40	30		DEEBRM
CC1(C)CC(=O)C(=CNc2ccc(O)c(C(=O)[O-])c2)C(=O)C1	ZINC000004640714	401726719	/nfs/dbraw/zinc/72/67/19/401726719.db2.gz	GZSHKKCXRUFIEG-UHFFFAOYSA-N	-1	0	303.314	2.344	40	30		DEEBRM
O=C([O-])[C@@H](Cc1ccccc1)CN(O)C(=O)Cc1ccccc1	ZINC000027748688	401847793	/nfs/dbraw/zinc/84/77/93/401847793.db2.gz	PONANXDRJJIGPG-INIZCTEOSA-N	-1	0	313.353	2.390	40	30		DEEBRM
O=[N+]([O-])c1ccc(C=Nn2c(C(F)(F)F)n[n-]c2=S)cc1	ZINC000253618236	402670092	/nfs/dbraw/zinc/67/00/92/402670092.db2.gz	OPJYFYUOWDDIBD-UHFFFAOYSA-N	-1	0	317.252	2.376	40	30		DEEBRM
COc1cc(CN=Nc2nnn[n-]2)ccc1OCCC(C)C	ZINC000005380470	521995171	/nfs/dbraw/zinc/99/51/71/521995171.db2.gz	LMAZMENBVDDSGB-OQLLNIDSSA-N	-1	0	304.354	2.079	40	30		DEEBRM
CCc1n[n-]c(=S)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000008182990	354010967	/nfs/dbraw/zinc/01/09/67/354010967.db2.gz	ZGXLDXURYKRPBS-WLRTZDKTSA-N	-1	0	321.318	2.022	40	30		DEEBRM
CC(C)=N/N=C1/S[C@@H](CC(=O)[O-])C(=O)N1c1ccccc1	ZINC000004866059	401727662	/nfs/dbraw/zinc/72/76/62/401727662.db2.gz	RFEWYUJUOSMNQL-QPQCVSCISA-N	-1	0	305.359	2.362	40	30		DEEBRM
O=C([O-])COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1	ZINC000409091682	227248303	/nfs/dbraw/zinc/24/83/03/227248303.db2.gz	TTZPAYSYGMUVLV-GDNBJRDFSA-N	-1	0	323.304	2.495	40	30		DEEBRM
CC(=O)CC([O-])=C(C(C)=O)C(=O)Oc1cc(C)oc(=O)c1C	ZINC000227173261	201796307	/nfs/dbraw/zinc/79/63/07/201796307.db2.gz	VICDNXXMYIMIOR-RCJDLMDHSA-N	-1	0	308.286	2.025	40	30		DEEBRM
O=C1CCN2[C@H](c3ccccc3)C(=[N+]([O-])[O-])[C@H](c3ccccc3)N12	ZINC000005684649	353994019	/nfs/dbraw/zinc/99/40/19/353994019.db2.gz	ZGMOOSQBBYEDIT-SJORKVTESA-N	-1	0	323.352	2.272	40	30		DEEBRM
C/N=C1/S/C(=C\c2ccc(O[C@@H](C)C(=O)[O-])cc2)C(=O)N1C	ZINC000006585826	181358052	/nfs/dbraw/zinc/35/80/52/181358052.db2.gz	RIEKPQHOFQHKKI-YVLXHNELSA-N	-1	0	320.370	2.070	40	30		DEEBRM
CS[C@H]1C(C(=O)c2ccccc2C)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716226	257129235	/nfs/dbraw/zinc/12/92/35/257129235.db2.gz	GNDXSWBMMOQLDX-INIZCTEOSA-N	-1	0	319.382	2.110	40	30		DEEBRM
C/C(=N\CCO)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O	ZINC000100370457	402140935	/nfs/dbraw/zinc/14/09/35/402140935.db2.gz	MEOWNWXTDQCJPJ-DEDYPNTBSA-N	-1	0	322.364	2.498	40	30		DEEBRM
N#Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000005681500	181271571	/nfs/dbraw/zinc/27/15/71/181271571.db2.gz	VYUDCQVHKIVZBU-UHFFFAOYSA-N	-1	0	303.299	2.267	40	30		DEEBRM
c1c(CN=Nc2nnn[n-]2)c2ccccc2n1Cc1ccccc1	ZINC000408974013	424934411	/nfs/dbraw/zinc/93/44/11/424934411.db2.gz	UOCOGDRKCSPCPS-VCHYOVAHSA-N	-1	0	317.356	2.649	40	30		DEEBRM
O=C(/C(=N\Nc1ccccc1)S(=O)(=O)[O-])c1ccccc1	ZINC000005601070	181262423	/nfs/dbraw/zinc/26/24/23/181262423.db2.gz	MEQKFHIMVVDRHZ-JQIJEIRASA-N	-1	0	304.327	2.183	40	30		DEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)CC	ZINC000217427298	201516909	/nfs/dbraw/zinc/51/69/09/201516909.db2.gz	XRHFNPTZNRZFGR-SNVBAGLBSA-N	-1	0	312.391	2.060	40	30		DEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCC	ZINC000217419310	402292319	/nfs/dbraw/zinc/29/23/19/402292319.db2.gz	LVYKHCQENMVMHS-UHFFFAOYSA-N	-1	0	312.391	2.061	40	30		DEEBRM
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000408912322	227246619	/nfs/dbraw/zinc/24/66/19/227246619.db2.gz	FDZOWDXURDNMRG-UFWORHAWSA-N	-1	0	309.329	2.266	40	30		DEEBRM
C=CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br	ZINC000408743360	526834208	/nfs/dbraw/zinc/83/42/08/526834208.db2.gz	VWGWCSWSBFYDHE-JXMROGBWSA-N	-1	0	323.146	2.194	40	30		DEEBRM
CCOc1ccc(/N=C2/S[C@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000059254520	184136037	/nfs/dbraw/zinc/13/60/37/184136037.db2.gz	FVYVEGXVNYHXEX-BFWGRDPESA-N	-1	0	308.359	2.121	40	30		DEEBRM
CCN(CC)N=Nc1ccc(S(=O)(=O)[N-]C(=O)OC)cc1	ZINC000004831834	181158554	/nfs/dbraw/zinc/15/85/54/181158554.db2.gz	LKDRENFVHHBVIL-FYWRMAATSA-N	-1	0	314.367	2.276	40	30		DEEBRM
N#CC(=N[N-]c1cc(-c2ccccc2)[nH]n1)C1=NC(=O)CS1	ZINC000005387632	181238221	/nfs/dbraw/zinc/23/82/21/181238221.db2.gz	IRUZRAGKUFQISC-WOJGMQOQSA-N	-1	0	310.342	2.040	40	30		DEEBRM
COc1ccccc1CN/N=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000020761279	333385393	/nfs/dbraw/zinc/38/53/93/333385393.db2.gz	ZITKFLOGMZCUCI-CXUHLZMHSA-N	-1	0	301.302	2.433	40	30		DEEBRM
COc1ccccc1CN/N=C/c1ccc(OCC(=O)[O-])cc1	ZINC000020761356	333385400	/nfs/dbraw/zinc/38/54/00/333385400.db2.gz	XVNOTANKWFWICR-VCHYOVAHSA-N	-1	0	314.341	2.282	40	30		DEEBRM
O=C1[C@H]2[C@@H](C(=O)N1[O-])[C@]1(Cl)C[C@@]2(Cl)C(Cl)=C1Cl	ZINC000004566983	518202520	/nfs/dbraw/zinc/20/25/20/518202520.db2.gz	CILOQPOHAAIBQV-ASQNABRVSA-N	-1	0	316.955	2.039	40	30		DEEBRM
Cc1cc(C)nc(N=NCc2ccccc2OCC(=O)[O-])n1	ZINC000004714404	181141087	/nfs/dbraw/zinc/14/10/87/181141087.db2.gz	VWZVHKPSQDPDMR-LZYBPNLTSA-N	-1	0	300.318	2.003	40	30		DEEBRM
C=CCNS(=O)(=O)c1ccc(NCCCC)c(C(=O)[O-])c1	ZINC000217567211	201518141	/nfs/dbraw/zinc/51/81/41/201518141.db2.gz	RBEVSWDRYRXNDG-UHFFFAOYSA-N	-1	0	312.391	2.061	40	30		DEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N[C@H](C)CC	ZINC000217436342	402292520	/nfs/dbraw/zinc/29/25/20/402292520.db2.gz	YTHMCQOCUQDQDY-SNVBAGLBSA-N	-1	0	312.391	2.060	40	30		DEEBRM
C=CCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)[O-])c1	ZINC000217567587	402293095	/nfs/dbraw/zinc/29/30/95/402293095.db2.gz	GVSHRQVENXIPGR-UHFFFAOYSA-N	-1	0	312.391	2.060	40	30		DEEBRM
N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000409375327	303195434	/nfs/dbraw/zinc/19/54/34/303195434.db2.gz	JEHQIUPHKMVJAQ-UHFFFAOYSA-N	-1	0	311.253	2.417	40	30		DEEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2[O-])nc1	ZINC000016385655	331566780	/nfs/dbraw/zinc/56/67/80/331566780.db2.gz	SXPRPUGIRHGGHA-NSIKDUERSA-N	-1	0	303.234	2.050	40	30		DEEBRM
Cc1ccc(S(=O)(=O)NC/C(=N/[O-])c2ccccc2)cc1	ZINC000006214503	181319711	/nfs/dbraw/zinc/31/97/11/181319711.db2.gz	BAPORXGNVYXSML-ICFOKQHNSA-N	-1	0	304.371	2.152	40	30		DEEBRM
C=CCNc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1C(=O)[O-]	ZINC000217557653	402292833	/nfs/dbraw/zinc/29/28/33/402292833.db2.gz	AGFWLJJWGKNQLN-JTQLQIEISA-N	-1	0	312.391	2.060	40	30		DEEBRM
CCN1C=CC(=C(/C=C2\C=CC=CC2=O)CS(=O)(=O)[O-])C=C1	ZINC000019867838	285179437	/nfs/dbraw/zinc/17/94/37/285179437.db2.gz	CUBKCSCNERXCTP-SDNWHVSQSA-N	-1	0	319.382	2.155	40	30		DEEBRM
O=C([O-])C1C(=O)C=C2C[C@H](CCCCCCCO)OC=C2C1=O	ZINC000514288068	257215999	/nfs/dbraw/zinc/21/59/99/257215999.db2.gz	MTIUKAJEIXYJIF-LBPRGKRZSA-N	-1	0	322.357	2.398	40	30	biogenic,in-vitro	DEEBRM
O=C1c2ccccc2C(=O)C(S(=O)(=O)c2ccccc2)=C1[O-]	ZINC000255189056	402681300	/nfs/dbraw/zinc/68/13/00/402681300.db2.gz	NKPLUVUUDBGIFK-UHFFFAOYSA-N	-1	0	314.318	2.309	40	30		DEEBRM
N#Cc1c(N)nc2c(c1-c1ccc(OCC(=O)[O-])cc1)CCCC2	ZINC000408979938	424934356	/nfs/dbraw/zinc/93/43/56/424934356.db2.gz	ORUWWXWQGOKUHW-UHFFFAOYSA-N	-1	0	323.352	2.545	40	30		DEEBRM
COc1c(Cl)cc(CN=Nc2nnn[n-]2)cc1OC(C)C	ZINC000035189307	521835845	/nfs/dbraw/zinc/83/58/45/521835845.db2.gz	WFXPHTOJUUXZDY-NSIKDUERSA-N	-1	0	310.745	2.095	40	30		DEEBRM
Cc1cc(C)nc(N=NCc2ccc(O[C@H](C)C(=O)[O-])cc2)n1	ZINC000033857430	354160013	/nfs/dbraw/zinc/16/00/13/354160013.db2.gz	DIZSWDSSOHQTPI-AXIYWZQUSA-N	-1	0	314.345	2.391	40	30		DEEBRM
COc1ccc(/C(CNC(=O)OC(C)(C)C)=N/[O-])c(OC)c1	ZINC000012357091	401783919	/nfs/dbraw/zinc/78/39/19/401783919.db2.gz	FUHBRBIMEJUOSB-SFQUDFHCSA-N	-1	0	310.350	2.407	40	30		DEEBRM
Cc1cc(C(=O)[O-])ccc1/N=C/c1ccc(OCC(N)=O)cc1	ZINC000408962129	227248356	/nfs/dbraw/zinc/24/83/56/227248356.db2.gz	GVJYMUIFQLCVCN-DJKKODMXSA-N	-1	0	312.325	2.308	40	30		DEEBRM
O=C([O-])c1ccc(NN=C2C(=O)Nc3c2cc(F)cc3F)cc1	ZINC000223750993	304245701	/nfs/dbraw/zinc/24/57/01/304245701.db2.gz	SPUSOWOLNZNEPT-UHFFFAOYSA-N	-1	0	317.251	2.431	40	30		DEEBRM
C=CCC1(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)CCOCC1	ZINC000633138335	406392081	/nfs/dbraw/zinc/39/20/81/406392081.db2.gz	KOVIMKOOIKQUDO-UHFFFAOYSA-N	-1	0	305.330	2.402	40	30		DEEBRM
Cc1cc(C)c(C(=O)[N-]S(=O)(=O)C[C@@H]2CCCCO2)o1	ZINC000079150672	185160442	/nfs/dbraw/zinc/16/04/42/185160442.db2.gz	UTPQBPLYBQLLMB-NSHDSACASA-N	-1	0	301.364	2.100	40	30		DEEBRM
CS[C@H]1C(C(=O)C(C)C)=C(CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716462	257128791	/nfs/dbraw/zinc/12/87/91/257128791.db2.gz	NPKYONVXYURUGK-HNNXBMFYSA-N	-1	0	313.419	2.170	40	30		DEEBRM
CCCN/C(C)=C/C(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000101153855	402144001	/nfs/dbraw/zinc/14/40/01/402144001.db2.gz	HDXNRJYEXJMIBD-ZHACJKMWSA-N	-1	0	300.358	2.330	40	30		DEEBRM
Cc1cc(C)nc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1	ZINC000005697932	181273409	/nfs/dbraw/zinc/27/34/09/181273409.db2.gz	DIZSWDSSOHQTPI-UWONZBIMSA-N	-1	0	314.345	2.391	40	30		DEEBRM
[O-]c1c(Br)cc(Cl)cc1/C=N/n1cnnc1	ZINC000005425679	285380519	/nfs/dbraw/zinc/38/05/19/285380519.db2.gz	OCXNJMJXOMCAEU-LZWSPWQCSA-N	-1	0	301.531	2.282	40	30		DEEBRM
COc1cc(C(=O)C(C(C)=O)=C(C)[O-])c([N+](=O)[O-])cc1OC	ZINC000100988227	402143297	/nfs/dbraw/zinc/14/32/97/402143297.db2.gz	OARHPSUMOFYSCV-NTUHNPAUSA-N	-1	0	309.274	2.216	40	30		DEEBRM
CCCCCCCCCCOC(=O)CCNCS(=O)(=O)[O-]	ZINC000103007080	402176108	/nfs/dbraw/zinc/17/61/08/402176108.db2.gz	RIDPIKIGIROKQM-UHFFFAOYSA-N	-1	0	323.455	2.495	40	30		DEEBRM
COc1cc(CN=Nc2nnn[n-]2)ccc1OCc1ccccc1	ZINC000035188668	522008089	/nfs/dbraw/zinc/00/80/89/522008089.db2.gz	NGARNXYMRSAUOW-YVLHZVERSA-N	-1	0	324.344	2.233	40	30		DEEBRM
CSc1nsc([N-]N=C(C#N)C(=O)c2ccsc2)n1	ZINC000016248824	526229225	/nfs/dbraw/zinc/22/92/25/526229225.db2.gz	QMYBOSPOPJFMMJ-NTUHNPAUSA-N	-1	0	309.401	2.496	40	30		DEEBRM
C=CCN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O	ZINC000409133918	526405894	/nfs/dbraw/zinc/40/58/94/526405894.db2.gz	NVNNFKWOGAMQEW-WEVVVXLNSA-N	-1	0	323.692	2.033	40	30		DEEBRM
NC(=S)N/N=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000007043547	181433466	/nfs/dbraw/zinc/43/34/66/181433466.db2.gz	GMAGOQZMNBRPOU-SOFYXZRVSA-N	-1	0	323.761	2.465	40	30		DEEBRM
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)c1C	ZINC000028577435	401852853	/nfs/dbraw/zinc/85/28/53/401852853.db2.gz	KIGLVOMSQOQSCA-UHFFFAOYSA-N	-1	0	304.375	2.192	40	30		DEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)Cc2ccc(N)cc2)cc1	ZINC000090395815	340545928	/nfs/dbraw/zinc/54/59/28/340545928.db2.gz	XTVVVDUMKXLKAH-UHFFFAOYSA-N	-1	0	304.371	2.465	40	30		DEEBRM
N#Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000409374933	534818418	/nfs/dbraw/zinc/81/84/18/534818418.db2.gz	BURSIUIGWRMVAB-UHFFFAOYSA-N	-1	0	311.253	2.417	40	30		DEEBRM
C[C@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)=C([O-])N1	ZINC000014608377	291170283	/nfs/dbraw/zinc/17/02/83/291170283.db2.gz	RXONWEYRZJIXMA-JSGCOSHPSA-N	-1	0	308.385	2.376	40	30		DEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC1CCCC1	ZINC000217436730	201517226	/nfs/dbraw/zinc/51/72/26/201517226.db2.gz	PPERPKQOQFHFKX-UHFFFAOYSA-N	-1	0	324.402	2.204	40	30		DEEBRM
COc1ccc(C=NNCC(=O)c2ccccc2)cc1C(=O)[O-]	ZINC000059484974	184139003	/nfs/dbraw/zinc/13/90/03/184139003.db2.gz	XMHKLHFDVQZKSV-VCHYOVAHSA-N	-1	0	312.325	2.200	40	30		DEEBRM
COc1cc(OC)nc([N-]c2ccc([N+](=O)[O-])cc2C#N)n1	ZINC000008703028	401755274	/nfs/dbraw/zinc/75/52/74/401755274.db2.gz	RNGPJADRIFZEJN-UHFFFAOYSA-N	-1	0	301.262	2.017	40	30		DEEBRM
O=[N+]([O-])c1cccc(CN=Nc2ncccc2[N+](=O)[O-])c1[O-]	ZINC000409108526	227249771	/nfs/dbraw/zinc/24/97/71/227249771.db2.gz	WMCDLXFFGQBHCF-VGOFMYFVSA-N	-1	0	303.234	2.050	40	30		DEEBRM
O=C([O-])[C@@H](Cc1c[nH]cn1)N=Cc1c(O)ccc2ccccc21	ZINC000034762318	527648376	/nfs/dbraw/zinc/64/83/76/527648376.db2.gz	VNUQLWYTGZQBME-VTNJTDAWSA-N	-1	0	309.325	2.383	40	30		DEEBRM
CC(C)c1ccc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000012368520	401783992	/nfs/dbraw/zinc/78/39/92/401783992.db2.gz	DTEAZCJUKPARQD-VJMCZWTHSA-N	-1	0	319.386	2.206	40	30		DEEBRM
CC(=O)C(=N[N-]c1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F	ZINC000101400600	402144746	/nfs/dbraw/zinc/14/47/46/402144746.db2.gz	ZRGIVJFCCOOPSC-CXUHLZMHSA-N	-1	0	303.196	2.083	40	30		DEEBRM
CCCCC1=C([O-])C(=NNC(N)=S)c2ccccc2C1=O	ZINC000018251935	401821807	/nfs/dbraw/zinc/82/18/07/401821807.db2.gz	HPXRYRMITFPDFP-ATVHPVEESA-N	-1	0	303.387	2.423	40	30		DEEBRM
CCn1c2ccccc2c([O-])c(/C=N/c2cccc(N)n2)c1=O	ZINC000103461966	402189403	/nfs/dbraw/zinc/18/94/03/402189403.db2.gz	UJJINVOVYFGXAX-VXLYETTFSA-N	-1	0	308.341	2.455	40	30		DEEBRM
CCCCC1=C([O-])C(=NNC(N)=S)c2ccccc2C1=O	ZINC000104230781	402201629	/nfs/dbraw/zinc/20/16/29/402201629.db2.gz	HPXRYRMITFPDFP-SFQUDFHCSA-N	-1	0	303.387	2.423	40	30		DEEBRM
[O-]N=Cc1cc(Br)c(I)o1	ZINC000408949822	403825462	/nfs/dbraw/zinc/82/54/62/403825462.db2.gz	CKGXPIMJALMQMX-UHFFFAOYSA-N	-1	0	315.892	2.455	40	30		DEEBRM
O=[N+]([O-])c1ccc(NN=Cc2ccc([O-])c([N+](=O)[O-])c2)nc1	ZINC000408750750	227246743	/nfs/dbraw/zinc/24/67/43/227246743.db2.gz	RHKHESWMUHBTQH-NSIKDUERSA-N	-1	0	303.234	2.050	40	30		DEEBRM
C=CCOc1cc(N(CC)CC)ccc1CN=Nc1nnn[n-]1	ZINC000006386891	181336441	/nfs/dbraw/zinc/33/64/41/181336441.db2.gz	HNPGAQVXJQQBCK-LFIBNONCSA-N	-1	0	315.381	2.057	40	30		DEEBRM
Cc1ccc(S(=O)([O-])=NC(=O)NC2[C@@H]3CCCC[C@H]23)cc1	ZINC000018060857	182091415	/nfs/dbraw/zinc/09/14/15/182091415.db2.gz	JIRRNKIYARHKRO-PBWFPOADSA-N	-1	0	308.403	2.376	40	30		DEEBRM
N#Cc1cccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c1	ZINC000039957029	183025057	/nfs/dbraw/zinc/02/50/57/183025057.db2.gz	QPZRIEZBUQAEHK-INIZCTEOSA-N	-1	0	324.336	2.480	40	30		DEEBRM
CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N/c1cccc(OC)c1	ZINC000107037611	402225042	/nfs/dbraw/zinc/22/50/42/402225042.db2.gz	NCLXFDLPEGEABE-BFWGRDPESA-N	-1	0	308.359	2.121	40	30		DEEBRM
N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1	ZINC000408740172	227247287	/nfs/dbraw/zinc/24/72/87/227247287.db2.gz	DSIQXVNRGYTRRU-CXUHLZMHSA-N	-1	0	319.320	2.318	40	30		DEEBRM
O=C([O-])c1cc(/N=C\c2ccc(N3CCOCC3)o2)ccc1O	ZINC000409010529	534541149	/nfs/dbraw/zinc/54/11/49/534541149.db2.gz	KVVOAFIYFYYNJJ-YVLHZVERSA-N	-1	0	316.313	2.271	40	30		DEEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2cn(CC)c3ccccc23)C1=O	ZINC000000524142	1076840415	/nfs/dbraw/zinc/84/04/15/1076840415.db2.gz	LSVDMHFPLSUAHM-UVTDQMKNSA-N	-1	0	323.352	2.309	40	30		DEEBRM
CS[C@@H]1C(C(=O)c2ccc(C)cc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716201	257128736	/nfs/dbraw/zinc/12/87/36/257128736.db2.gz	RLCMZXHIZJZICM-MRXNPFEDSA-N	-1	0	319.382	2.110	40	30		DEEBRM
CC(C)=N/N=C1/S[C@H](CC(=O)[O-])C(=O)N1c1ccccc1	ZINC000004866060	401727607	/nfs/dbraw/zinc/72/76/07/401727607.db2.gz	RFEWYUJUOSMNQL-KTEBKFLVSA-N	-1	0	305.359	2.362	40	30		DEEBRM
O=C([O-])[C@H](Cc1ccccc1)CN(O)C(=O)Cc1ccccc1	ZINC000027748678	401847729	/nfs/dbraw/zinc/84/77/29/401847729.db2.gz	PONANXDRJJIGPG-MRXNPFEDSA-N	-1	0	313.353	2.390	40	30		DEEBRM
NC(=O)/N=C/c1cc(Cl)cc(I)c1[O-]	ZINC000101549857	402147332	/nfs/dbraw/zinc/14/73/32/402147332.db2.gz	UGWFUQLFEYZHMU-KGVSQERTSA-N	-1	0	324.505	2.148	40	30		DEEBRM
C=CCc1cc(/C=C2/NC(=O)[N-]C2=O)cc(OCC)c1OCC	ZINC000409045406	527228245	/nfs/dbraw/zinc/22/82/45/527228245.db2.gz	YHHOZYKMNJXPOX-UKTHLTGXSA-N	-1	0	316.357	2.393	40	30		DEEBRM
C=CCNc1nn(-c2ccc(Br)cc2)nc1C(=O)[O-]	ZINC000256048042	356338758	/nfs/dbraw/zinc/33/87/58/356338758.db2.gz	QHVHZBDRWLMNJR-UHFFFAOYSA-N	-1	0	323.150	2.326	40	30		DEEBRM
Cc1[nH]nc2c1[C@@H](c1ccccc1)c1c(N)c(C#N)c(=O)[n-]c1O2	ZINC000006694217	401732127	/nfs/dbraw/zinc/73/21/27/401732127.db2.gz	TUSQOBULSVVSFK-GFCCVEGCSA-N	-1	0	319.324	2.146	40	30		DEEBRM
C=CCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)[O-]	ZINC000217563885	402292872	/nfs/dbraw/zinc/29/28/72/402292872.db2.gz	WGAOOQSJXQOSPZ-UHFFFAOYSA-N	-1	0	312.391	2.060	40	30		DEEBRM
O=C1C=CC(=CC=C2C=CN(CCCS(=O)(=O)[O-])C=C2)C=C1	ZINC000575346345	406806883	/nfs/dbraw/zinc/80/68/83/406806883.db2.gz	HRMOJBYGFJIEDK-UHFFFAOYSA-N	-1	0	319.382	2.155	40	30		DEEBRM
CCNC(=S)N/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000005952619	181300122	/nfs/dbraw/zinc/30/01/22/181300122.db2.gz	XBUYKNZBZRJCLF-RQZCQDPDSA-N	-1	0	317.370	2.463	40	30		DEEBRM
C=CCOC(=O)C(=Cc1ccc(C(=O)[O-])cc1)C(=O)OCC=C	ZINC000019075632	182104014	/nfs/dbraw/zinc/10/40/14/182104014.db2.gz	BSERHVPNBHLJBC-UHFFFAOYSA-N	-1	0	316.309	2.227	40	30		DEEBRM
CCOc1ccc(/N=C2/S[C@@H](CC(=O)[O-])C(=O)N2C)cc1	ZINC000059254519	184136133	/nfs/dbraw/zinc/13/61/33/184136133.db2.gz	FVYVEGXVNYHXEX-AKCBPTIMSA-N	-1	0	308.359	2.121	40	30		DEEBRM
CC(C)=N/N=C1\S[C@H](CC(=O)[O-])C(=O)N1Cc1ccccc1	ZINC000001466315	401707881	/nfs/dbraw/zinc/70/78/81/401707881.db2.gz	OEHNDTPTUSSVGQ-UWENYHRYSA-N	-1	0	319.386	2.357	40	30		DEEBRM
Cc1[nH]nc2c1[C@H](c1ccccc1)c1c(N)c(C#N)c(=O)[n-]c1O2	ZINC000006694218	300901867	/nfs/dbraw/zinc/90/18/67/300901867.db2.gz	TUSQOBULSVVSFK-LBPRGKRZSA-N	-1	0	319.324	2.146	40	30		DEEBRM
O=C([O-])COc1ccccc1CN=Nc1ccc(Cl)nn1	ZINC000019320821	182114881	/nfs/dbraw/zinc/11/48/81/182114881.db2.gz	CJHHVZDBVZGGCC-VIZOYTHASA-N	-1	0	306.709	2.039	40	30		DEEBRM
CCN1C=CC(=C(/C=C2/C=CC=CC2=O)CS(=O)(=O)[O-])C=C1	ZINC000033927941	285179148	/nfs/dbraw/zinc/17/91/48/285179148.db2.gz	CUBKCSCNERXCTP-KAMYIIQDSA-N	-1	0	319.382	2.155	40	30		DEEBRM
CCN1C(=O)C(=CC(=O)[O-])C(C(=O)c2ccccc2)[C@H]1SC	ZINC000062716305	257128545	/nfs/dbraw/zinc/12/85/45/257128545.db2.gz	AZLHRNNXXVVYNT-MRXNPFEDSA-N	-1	0	319.382	2.192	40	30		DEEBRM
COc1cc(/C=N/[O-])ccc1OS(=O)(=O)c1ccccc1	ZINC000409070420	533482986	/nfs/dbraw/zinc/48/29/86/533482986.db2.gz	GFELHJMWHPKXGI-XNTDXEJSSA-N	-1	0	307.327	2.271	40	30		DEEBRM
Cc1c(C=Nn2c(=O)c(C)n[n-]c2=S)c2ccccc2n1C	ZINC000000478706	401699030	/nfs/dbraw/zinc/69/90/30/401699030.db2.gz	WXNQRKJSVRDUEG-LZYBPNLTSA-N	-1	0	313.386	2.292	40	30		DEEBRM
C/C(=N/NS(=O)(=O)c1ccc(C)cc1)C(C)(C)CC(=O)[O-]	ZINC000004951034	181178173	/nfs/dbraw/zinc/17/81/73/181178173.db2.gz	IVODMBWUGZWICB-PTNGSMBKSA-N	-1	0	312.391	2.150	40	30		DEEBRM
C#CCOc1c(I)cc(F)cc1C(=O)[O-]	ZINC000225278275	402315753	/nfs/dbraw/zinc/31/57/53/402315753.db2.gz	CEDQQOTUCWDYDI-UHFFFAOYSA-N	-1	0	320.057	2.141	40	30		DEEBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)O/N=C/c2ccco2)cc1	ZINC000001579912	180875042	/nfs/dbraw/zinc/87/50/42/180875042.db2.gz	KUBIGDNNBOKFGY-NTEUORMPSA-N	-1	0	308.315	2.037	40	30		DEEBRM
C=CCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000005006487	181188843	/nfs/dbraw/zinc/18/88/43/181188843.db2.gz	SDEBPJLMEBJMLU-UHFFFAOYSA-N	-1	0	322.320	2.154	40	30		DEEBRM
O=[N+]([O-])c1ccc(NN=Cc2cc([O-])ccc2[N+](=O)[O-])nc1	ZINC000038570251	183003211	/nfs/dbraw/zinc/00/32/11/183003211.db2.gz	RHBWFBHOLGACGS-MKMNVTDBSA-N	-1	0	303.234	2.050	40	30		DEEBRM
CN1c2ccccc2[C@@](O)(CC(=O)C=C([O-])c2ccccc2)C1=O	ZINC000101641121	402152116	/nfs/dbraw/zinc/15/21/16/402152116.db2.gz	VNKCEBWJFQGKMQ-XGHXRCDJSA-N	-1	0	323.348	2.409	40	30		DEEBRM
CCCCc1c(C#N)c([O-])n2c(ncc(C#N)c2=N)c1SC	ZINC000104272158	402201447	/nfs/dbraw/zinc/20/14/47/402201447.db2.gz	JQJRDYUQAATTEY-UHFFFAOYSA-N	-1	0	313.386	2.327	40	30		DEEBRM
CC1=NN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)/C1=N/[O-]	ZINC000100500956	281701064	/nfs/dbraw/zinc/70/10/64/281701064.db2.gz	GJOIQDZMZMNMLX-CXUHLZMHSA-N	-1	0	316.195	2.166	40	30		DEEBRM
C=CCn1c(SCC(=O)[O-])nnc1-c1cccc(OC)c1	ZINC000005721058	181275977	/nfs/dbraw/zinc/27/59/77/181275977.db2.gz	AOAOTJDUWVPRQV-UHFFFAOYSA-N	-1	0	305.359	2.316	40	30		DEEBRM
CCS[C@H]1C(C(=O)c2ccccc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716264	257128896	/nfs/dbraw/zinc/12/88/96/257128896.db2.gz	LIJJXUINEAIESQ-INIZCTEOSA-N	-1	0	319.382	2.192	40	30		DEEBRM
COc1cc(CN=Nc2nc(C)cc(C)n2)cc([N+](=O)[O-])c1[O-]	ZINC000035973949	521995229	/nfs/dbraw/zinc/99/52/29/521995229.db2.gz	BIJNEONRJKBDGJ-VIZOYTHASA-N	-1	0	317.305	2.162	40	30		DEEBRM
CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(C#N)c2)c1C	ZINC000072239128	191083128	/nfs/dbraw/zinc/08/31/28/191083128.db2.gz	MTMWRKSQWHLUIK-UHFFFAOYSA-N	-1	0	304.375	2.192	40	30		DEEBRM
O=C([O-])C[C@@H]1C(=O)N/C(=N/c2ccccc2)N1c1ccccc1	ZINC000002710413	304074508	/nfs/dbraw/zinc/07/45/08/304074508.db2.gz	MFPOLKCSPLVQCJ-CQSZACIVSA-N	-1	0	309.325	2.154	40	30		DEEBRM
N#Cc1ccccc1C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000039957028	183024994	/nfs/dbraw/zinc/02/49/94/183024994.db2.gz	FYMYTJVKIJDDOQ-MRXNPFEDSA-N	-1	0	324.336	2.480	40	30		DEEBRM
NC(=S)N/N=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1	ZINC000007043553	401735657	/nfs/dbraw/zinc/73/56/57/401735657.db2.gz	ZVWAWSPWVCDCIL-SOFYXZRVSA-N	-1	0	323.761	2.465	40	30		DEEBRM
CC(N=Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)[O-]	ZINC000016137170	401818784	/nfs/dbraw/zinc/81/87/84/401818784.db2.gz	SAWLFEXCWMBVFD-VZUCSPMQSA-N	-1	0	302.084	2.230	40	30		DEEBRM
O=C([O-])c1cc(O)ccc1NC1=CC(=O)c2ccccc2C1=O	ZINC000100251663	402140608	/nfs/dbraw/zinc/14/06/08/402140608.db2.gz	KZOUDAULHQLFFU-UHFFFAOYSA-N	-1	0	309.277	2.465	40	30		DEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1	ZINC000217443673	201517702	/nfs/dbraw/zinc/51/77/02/201517702.db2.gz	JCTHZOWLCZJHIH-UHFFFAOYSA-N	-1	0	324.402	2.204	40	30		DEEBRM
CCS[C@@H]1C(C(=O)c2ccccc2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716263	257129020	/nfs/dbraw/zinc/12/90/20/257129020.db2.gz	LIJJXUINEAIESQ-MRXNPFEDSA-N	-1	0	319.382	2.192	40	30		DEEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000245318975	533433287	/nfs/dbraw/zinc/43/32/87/533433287.db2.gz	YLVKBAQHVPJRIE-UHFFFAOYSA-N	-1	0	302.281	2.476	40	30		DEEBRM
Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccccc2N)cc1	ZINC000066323547	402131119	/nfs/dbraw/zinc/13/11/19/402131119.db2.gz	MKXDHAWDENXTMN-UHFFFAOYSA-N	-1	0	305.359	2.292	40	30		DEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C	ZINC000217432950	402292416	/nfs/dbraw/zinc/29/24/16/402292416.db2.gz	RLYIUVQWCAMMSP-UHFFFAOYSA-N	-1	0	312.391	2.060	40	30		DEEBRM
CO/N=C(\C(=O)[O-])c1csc(NC(=O)/C=C/c2ccoc2)c1	ZINC000000132726	180703895	/nfs/dbraw/zinc/70/38/95/180703895.db2.gz	ZOPINPBRYWTQOM-CNVOZUPBSA-N	-1	0	320.326	2.428	40	30		DEEBRM
Oc1ccc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1O	ZINC000005379613	181236604	/nfs/dbraw/zinc/23/66/04/181236604.db2.gz	LQWLMVOBRLJYAL-CAOOACKPSA-N	-1	0	320.312	2.363	40	30		DEEBRM
CN1c2ccccc2[C@](O)(CC(=O)C=C([O-])c2ccccc2)C1=O	ZINC000101641113	402152646	/nfs/dbraw/zinc/15/26/46/402152646.db2.gz	VNKCEBWJFQGKMQ-DPWKNNTCSA-N	-1	0	323.348	2.409	40	30		DEEBRM
Cc1cc(C)nc(N=NCc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1	ZINC000033857428	354160018	/nfs/dbraw/zinc/16/00/18/354160018.db2.gz	DIZSWDSSOHQTPI-CHROMADKSA-N	-1	0	314.345	2.391	40	30		DEEBRM
CCCCCCCCCS(=O)(=O)c1nnc(NC(C)=O)[n-]1	ZINC000103764336	402193789	/nfs/dbraw/zinc/19/37/89/402193789.db2.gz	SYLDOCXFGHCLMQ-UHFFFAOYSA-N	-1	0	316.427	2.287	40	30		DEEBRM
COc1ccc2ncc(C#N)c(N3CCC(C(=O)[O-])CC3)c2c1	ZINC000071328693	402272866	/nfs/dbraw/zinc/27/28/66/402272866.db2.gz	STSPIVBJVBDUQW-UHFFFAOYSA-N	-1	0	311.341	2.416	40	30		DEEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2OCCC)C1=O	ZINC000408600556	526406514	/nfs/dbraw/zinc/40/65/14/526406514.db2.gz	DFLDKFHWESSMOT-QBFSEMIESA-N	-1	0	314.341	2.123	40	30		DEEBRM
O=[N+]([O-])c1cccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000031830122	182625179	/nfs/dbraw/zinc/62/51/79/182625179.db2.gz	SAVFSAFMBXOSBY-ZROIWOOFSA-N	-1	0	321.314	2.288	40	30		DEEBRM
O=C(/C=N/[O-])Nc1cccc(Cl)c1I	ZINC000017217686	401820263	/nfs/dbraw/zinc/82/02/63/401820263.db2.gz	QIZHZMIKFHWTLL-NYYWCZLTSA-N	-1	0	324.505	2.343	40	30		DEEBRM
COP(=O)(OC)/C(C=O)=N/[N-]c1ccc([N+](=O)[O-])cc1	ZINC000095950882	402036328	/nfs/dbraw/zinc/03/63/28/402036328.db2.gz	DDOMHJLHPCYORY-ZRDIBKRKSA-N	-1	0	301.195	2.005	40	30		DEEBRM
O=C1/C(=N\[O-])C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1	ZINC000004701335	275016544	/nfs/dbraw/zinc/01/65/44/275016544.db2.gz	HBURSLTXXVCXIH-VKAVYKQESA-N	-1	0	310.269	2.176	40	30		DEEBRM
C=CCN1C(=O)[N-]C(=O)/C(=C/c2ccccc2OC(C)C)C1=O	ZINC000408605273	526406996	/nfs/dbraw/zinc/40/69/96/526406996.db2.gz	YBDADDPGJYFOCP-RAXLEYEMSA-N	-1	0	314.341	2.122	40	30		DEEBRM
Cc1c(CC(=O)[O-])cc(Cn2cncn2)c(C)c1C(C)(C)C#N	ZINC001570003327	1065873984	/nfs/dbraw/zinc/87/39/84/1065873984.db2.gz	YKVDRVMMMBAXDL-UHFFFAOYSA-N	-1	0	312.373	2.372	40	30		DEEBRM
CCN1C(=O)[C@@H](CC(=O)[O-])S/C1=N\c1ccc(OC)cc1	ZINC000020608959	182238670	/nfs/dbraw/zinc/23/86/70/182238670.db2.gz	RRLZOVLBVSRXPS-PHIZWAGYSA-N	-1	0	308.359	2.121	40	30		DEEBRM
CS[C@H]1C(C(=O)c2cccc(C)c2)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716220	257129050	/nfs/dbraw/zinc/12/90/50/257129050.db2.gz	BTDHIXWDFMSUCE-INIZCTEOSA-N	-1	0	319.382	2.110	40	30		DEEBRM
CS[C@@H]1C(C(=O)c2ccccc2C)C(=CC(=O)[O-])C(=O)N1C	ZINC000062716225	257129216	/nfs/dbraw/zinc/12/92/16/257129216.db2.gz	GNDXSWBMMOQLDX-MRXNPFEDSA-N	-1	0	319.382	2.110	40	30		DEEBRM
CCN(CCC#N)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000044867291	401948677	/nfs/dbraw/zinc/94/86/77/401948677.db2.gz	XJHIJXOURAXRKR-UHFFFAOYSA-N	-1	0	312.329	2.016	40	30		DEEBRM
O=[N+]([O-])c1ccc([O-])c(CN=Nc2ncccc2[N+](=O)[O-])c1	ZINC000036231216	401903969	/nfs/dbraw/zinc/90/39/69/401903969.db2.gz	NYMCSGSVVPDRDS-VGOFMYFVSA-N	-1	0	303.234	2.050	40	30		DEEBRM
C=CCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC(C)(C)C	ZINC000217436441	277872657	/nfs/dbraw/zinc/87/26/57/277872657.db2.gz	NYWNHUZJYLSCOV-UHFFFAOYSA-N	-1	0	312.391	2.060	40	30		DEEBRM
O=C1C(=N[O-])C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	ZINC000005603862	304619201	/nfs/dbraw/zinc/61/92/01/304619201.db2.gz	YHKFSNOYHDJWAQ-UHFFFAOYSA-N	-1	0	309.281	2.017	40	30		DEEBRM
N#Cc1ccc(NC(=O)CSc2ncccc2C(=O)[O-])cc1	ZINC000006505619	181346603	/nfs/dbraw/zinc/34/66/03/181346603.db2.gz	JUZLDSKVTHJHCH-UHFFFAOYSA-N	-1	0	313.338	2.382	40	30		DEEBRM
C=CCOc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000032690915	401881245	/nfs/dbraw/zinc/88/12/45/401881245.db2.gz	ZCDKTFMNLONICB-SREVYHEPSA-N	-1	0	315.285	2.119	40	30		DEEBRM
COc1cccc(/C=N\[O-])c1OS(=O)(=O)c1ccccc1	ZINC000216782908	257230768	/nfs/dbraw/zinc/23/07/68/257230768.db2.gz	KOQMRVRUWLDNJS-GDNBJRDFSA-N	-1	0	307.327	2.271	40	30		DEEBRM
COc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1	ZINC000000565093	401701051	/nfs/dbraw/zinc/70/10/51/401701051.db2.gz	YLVKBAQHVPJRIE-UUASQNMZSA-N	-1	0	302.281	2.476	40	30		DEEBRM
C=CCn1nc(-c2ccc(OCC)cc2)cc(C(=O)[O-])c1=O	ZINC000225962999	402325502	/nfs/dbraw/zinc/32/55/02/402325502.db2.gz	OMKQVNKLCMZWMP-UHFFFAOYSA-N	-1	0	300.314	2.193	40	30		DEEBRM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/NC(N)=S)o1	ZINC000408959826	227249035	/nfs/dbraw/zinc/24/90/35/227249035.db2.gz	GKMSGRSEYWWBNI-FRKPEAEDSA-N	-1	0	303.343	2.120	40	30		DEEBRM
COc1ccccc1CN/N=C/c1cccc(OCC(=O)[O-])c1	ZINC000020762883	333385185	/nfs/dbraw/zinc/38/51/85/333385185.db2.gz	VJPQMNUPZQEQQR-VCHYOVAHSA-N	-1	0	314.341	2.282	40	30		DEEBRM
Cc1[nH]c2ccccc2c1/C=N/N1c2nonc2[N-]c2nonc21	ZINC000005378263	181236437	/nfs/dbraw/zinc/23/64/37/181236437.db2.gz	ZLDXCXHRNJNESS-GIDUJCDVSA-N	-1	0	322.288	2.472	40	30		DEEBRM
CN(CCO)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)cc1	ZINC000007890790	522888068	/nfs/dbraw/zinc/88/80/68/522888068.db2.gz	LKNALMVHEFXNOR-LDADJPATSA-N	-1	0	313.357	2.259	40	30		DEEBRM
O=C1NN=C(C(F)(F)F)C1=N[N-]c1ccccc1[N+](=O)[O-]	ZINC000016450249	285162685	/nfs/dbraw/zinc/16/26/85/285162685.db2.gz	FJWJMENJBSQVNO-UHFFFAOYSA-N	-1	0	301.184	2.251	40	30		DEEBRM
CCOC(=O)CCc1c(C)nc(SCC(=O)[O-])c(C#N)c1C	ZINC000000141933	401688450	/nfs/dbraw/zinc/68/84/50/401688450.db2.gz	RWHKHFNCPWOOGP-UHFFFAOYSA-N	-1	0	322.386	2.243	40	30		DEEBRM
N#Cc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000002389723	401713419	/nfs/dbraw/zinc/71/34/19/401713419.db2.gz	HNPWZDAPPQRAAF-INIZCTEOSA-N	-1	0	324.336	2.480	40	30		DEEBRM
NC(=O)N=Cc1cc(Cl)cc(I)c1[O-]	ZINC000254479586	402670944	/nfs/dbraw/zinc/67/09/44/402670944.db2.gz	UGWFUQLFEYZHMU-UHFFFAOYSA-N	-1	0	324.505	2.148	40	30		DEEBRM
O=[N+]([O-])c1ccc(NN=Cc2cccc([N+](=O)[O-])c2[O-])nc1	ZINC000409074759	227248932	/nfs/dbraw/zinc/24/89/32/227248932.db2.gz	VJKYAYKCQPBGLP-MKMNVTDBSA-N	-1	0	303.234	2.050	40	30		DEEBRM
C=CC/N=c1\sc(CC)c([O-])n1S(=O)(=O)c1ccccc1	ZINC000004426553	518683073	/nfs/dbraw/zinc/68/30/73/518683073.db2.gz	MLGWVPODBLLNEA-VCHHOEMESA-N	-1	0	324.427	2.271	40	30		DEEBRM
O=C([O-])[C@H](Cc1c[nH]cn1)N=Cc1c(O)ccc2ccccc21	ZINC000034762316	526304472	/nfs/dbraw/zinc/30/44/72/526304472.db2.gz	VNUQLWYTGZQBME-OMPOGXFXSA-N	-1	0	309.325	2.383	40	30		DEEBRM
C[C@@H]1Cc2ccccc2N1C1=NC2(CCCC2)C(C#N)=C([O-])N1	ZINC000014608374	401812461	/nfs/dbraw/zinc/81/24/61/401812461.db2.gz	RXONWEYRZJIXMA-TZMCWYRMSA-N	-1	0	308.385	2.376	40	30		DEEBRM
CS[C@@H]1C(C(=O)C(C)C)=C(CC(=O)[O-])C(=O)N1CC(C)C	ZINC000062716461	257128536	/nfs/dbraw/zinc/12/85/36/257128536.db2.gz	NPKYONVXYURUGK-OAHLLOKOSA-N	-1	0	313.419	2.170	40	30		DEEBRM
C=CCNc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC	ZINC000217427226	402292349	/nfs/dbraw/zinc/29/23/49/402292349.db2.gz	XRHFNPTZNRZFGR-JTQLQIEISA-N	-1	0	312.391	2.060	40	30		DEEBRM
C=CCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-]	ZINC000217575122	402292996	/nfs/dbraw/zinc/29/29/96/402292996.db2.gz	NIBKZWMCLZYMEE-UHFFFAOYSA-N	-1	0	324.402	2.204	40	30		DEEBRM
CC1(C)CC(=O)C(=Cc2ccc(OCC(=O)[O-])cc2)C(=O)C1	ZINC000408990559	528878964	/nfs/dbraw/zinc/87/89/64/528878964.db2.gz	ODQGFAHXCXXZPP-UHFFFAOYSA-N	-1	0	302.326	2.492	40	30		DEEBRM