smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2F)C[C@@H](C)O1	ZINC000780445692	939122761	/nfs/dbraw/zinc/12/27/61/939122761.db2.gz	OGYJXYAZYNWGHG-SXGZJXTBSA-N	-1	0	421.513	3.272	20	10		HGCDRM
Cc1cc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])ccc1F	ZINC000797714616	939175057	/nfs/dbraw/zinc/17/50/57/939175057.db2.gz	KZIGQNSOZCQJAL-YWZLYKJASA-N	-1	0	415.465	3.157	20	10		HGCDRM
CCO[C@H]1C[C@](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)(C(=O)[O-])C1(C)C	ZINC000797718128	939179721	/nfs/dbraw/zinc/17/97/21/939179721.db2.gz	AHEQYPUDBKIQKG-UWJYYQICSA-N	-1	0	409.502	3.130	20	10		HGCDRM
O=C([O-])[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756378888	1126107849	/nfs/dbraw/zinc/10/78/49/1126107849.db2.gz	HYASAMWHKMQLFO-OAHLLOKOSA-N	-1	0	407.785	3.360	20	10		HGCDRM
Cc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000004044209	557507418	/nfs/dbraw/zinc/50/74/18/557507418.db2.gz	BSXYUOSITLGJAD-UHFFFAOYSA-N	-1	0	408.435	3.343	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2F)C[C@@H](C)O1	ZINC000780445803	939122909	/nfs/dbraw/zinc/12/29/09/939122909.db2.gz	SBWUFGMQYLVKDH-STXHMFSFSA-N	-1	0	415.465	3.064	20	10		HGCDRM
Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1C	ZINC000797713923	939174134	/nfs/dbraw/zinc/17/41/34/939174134.db2.gz	ATMQORYLJPRZNH-LAUBAEHRSA-N	-1	0	411.502	3.326	20	10		HGCDRM
C[C@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCCC3)cc2F)C[C@H](C)O1	ZINC000797709969	939168146	/nfs/dbraw/zinc/16/81/46/939168146.db2.gz	OMJHQFKFCFUTMK-HOTGVXAUSA-N	-1	0	421.513	3.416	20	10		HGCDRM
Cc1cc(C)cc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1	ZINC000797713939	939174069	/nfs/dbraw/zinc/17/40/69/939174069.db2.gz	AYYKHDILNDUWGT-LAUBAEHRSA-N	-1	0	411.502	3.326	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2F)C[C@H](C)O1	ZINC000780445801	939122826	/nfs/dbraw/zinc/12/28/26/939122826.db2.gz	SBWUFGMQYLVKDH-MDOVXXIYSA-N	-1	0	415.465	3.064	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])C3CCCCC3)cc2F)C[C@H](C)O1	ZINC000780445689	939122919	/nfs/dbraw/zinc/12/29/19/939122919.db2.gz	OGYJXYAZYNWGHG-MDOVXXIYSA-N	-1	0	421.513	3.272	20	10		HGCDRM
Cc1cc(C)cc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1	ZINC000797713940	939174090	/nfs/dbraw/zinc/17/40/90/939174090.db2.gz	AYYKHDILNDUWGT-UTKZUKDTSA-N	-1	0	411.502	3.326	20	10		HGCDRM
Cc1cccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1C	ZINC000797714335	939174675	/nfs/dbraw/zinc/17/46/75/939174675.db2.gz	HPUDLMTYHPUJSM-DYESRHJHSA-N	-1	0	411.502	3.326	20	10		HGCDRM
CC[C@](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)(C(=O)[O-])c1ccccc1	ZINC000797715549	939176419	/nfs/dbraw/zinc/17/64/19/939176419.db2.gz	RHMRBLZYDCRTOL-GAJHUEQPSA-N	-1	0	411.502	3.274	20	10		HGCDRM
CCO[C@@H]1C[C@@](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)(C(=O)[O-])C1(C)C	ZINC000797718120	939179248	/nfs/dbraw/zinc/17/92/48/939179248.db2.gz	AHEQYPUDBKIQKG-DYESRHJHSA-N	-1	0	409.502	3.130	20	10		HGCDRM
CCO[C@H]1C[C@](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)(C(=O)[O-])C1(C)C	ZINC000799251620	939215238	/nfs/dbraw/zinc/21/52/38/939215238.db2.gz	JXQOEIMZASYMIW-CVDCTZTESA-N	-1	0	414.502	3.491	20	10		HGCDRM
O=C([O-])C1(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)CCCC1	ZINC000914731849	939783426	/nfs/dbraw/zinc/78/34/26/939783426.db2.gz	NEIUSLYYURTBNC-ACCUITESSA-N	-1	0	424.569	3.243	20	10		HGCDRM
Cc1cccc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1C	ZINC000797714337	939174458	/nfs/dbraw/zinc/17/44/58/939174458.db2.gz	HPUDLMTYHPUJSM-UTKZUKDTSA-N	-1	0	411.502	3.326	20	10		HGCDRM
O=C([O-])C1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCCC1	ZINC000780525075	939130672	/nfs/dbraw/zinc/13/06/72/939130672.db2.gz	MVSAWKDBUAHSBO-UHFFFAOYSA-N	-1	0	411.449	3.344	20	10		HGCDRM
Cc1cc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])ccc1F	ZINC000797714612	939175139	/nfs/dbraw/zinc/17/51/39/939175139.db2.gz	KZIGQNSOZCQJAL-FOIQADDNSA-N	-1	0	415.465	3.157	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2F)C[C@H](C)O1	ZINC000780446081	939122802	/nfs/dbraw/zinc/12/28/02/939122802.db2.gz	ZIBMXOWCUPGODH-GASCZTMLSA-N	-1	0	407.486	3.026	20	10		HGCDRM
O=C([O-])[C@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH2+]Cc1c([O-])ccc(Cl)c1F	ZINC000756378886	1126107859	/nfs/dbraw/zinc/10/78/59/1126107859.db2.gz	HYASAMWHKMQLFO-HNNXBMFYSA-N	-1	0	407.785	3.360	20	10		HGCDRM
CC[C@@](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)(C(=O)[O-])c1ccccc1	ZINC000797715554	939176254	/nfs/dbraw/zinc/17/62/54/939176254.db2.gz	RHMRBLZYDCRTOL-HXOBKFHXSA-N	-1	0	411.502	3.274	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F	ZINC000797719718	939181274	/nfs/dbraw/zinc/18/12/74/939181274.db2.gz	RGEYPKCPXVXGTP-HXUWFJFHSA-N	-1	0	415.465	3.232	20	10		HGCDRM
COc1ccc(-n2c(C)cc(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)c2C)cc1	ZINC000766944088	939075918	/nfs/dbraw/zinc/07/59/18/939075918.db2.gz	GNHWRBATQNFUAS-UHFFFAOYSA-N	-1	0	404.466	3.455	20	10		HGCDRM
O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	ZINC000780600678	939140103	/nfs/dbraw/zinc/14/01/03/939140103.db2.gz	PRYUPJACUKUXHF-YJBOKZPZSA-N	-1	0	419.428	3.382	20	10		HGCDRM
CCC1CCC(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)(C(=O)[O-])CC1	ZINC000797714128	939173941	/nfs/dbraw/zinc/17/39/41/939173941.db2.gz	CAAJWRFRVMXGPL-YPHUNTSASA-N	-1	0	403.523	3.307	20	10		HGCDRM
Cc1cccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1C	ZINC000797714336	939174561	/nfs/dbraw/zinc/17/45/61/939174561.db2.gz	HPUDLMTYHPUJSM-LAUBAEHRSA-N	-1	0	411.502	3.326	20	10		HGCDRM
COc1ccc([C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1Cl	ZINC000797714924	939175742	/nfs/dbraw/zinc/17/57/42/939175742.db2.gz	HNPRUKFXLFMWPN-KRWDZBQOSA-N	-1	0	409.845	3.179	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc1)C1CCCCC1	ZINC000797715504	939176376	/nfs/dbraw/zinc/17/63/76/939176376.db2.gz	OZRGQRPAIRAZEY-PXNSSMCTSA-N	-1	0	403.523	3.135	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2F)C[C@@H](C)O1	ZINC000780445691	939123042	/nfs/dbraw/zinc/12/30/42/939123042.db2.gz	OGYJXYAZYNWGHG-STXHMFSFSA-N	-1	0	421.513	3.272	20	10		HGCDRM
O=C([O-])[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	ZINC000780524823	939130524	/nfs/dbraw/zinc/13/05/24/939130524.db2.gz	HBRKFVSZMAIVBA-GOSISDBHSA-N	-1	0	419.428	3.382	20	10		HGCDRM
Cc1cccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1C	ZINC000797714338	939174686	/nfs/dbraw/zinc/17/46/86/939174686.db2.gz	HPUDLMTYHPUJSM-UWJYYQICSA-N	-1	0	411.502	3.326	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)cc1F	ZINC000797718708	939180139	/nfs/dbraw/zinc/18/01/39/939180139.db2.gz	HDLNKYWTDIHSJQ-IBGZPJMESA-N	-1	0	403.454	3.306	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1F	ZINC000797719747	939181204	/nfs/dbraw/zinc/18/12/04/939181204.db2.gz	RNUUCIILJTWGFZ-LJQANCHMSA-N	-1	0	421.444	3.445	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2F)C[C@@H](C)O1	ZINC000780446083	939122836	/nfs/dbraw/zinc/12/28/36/939122836.db2.gz	ZIBMXOWCUPGODH-HUUCEWRRSA-N	-1	0	407.486	3.026	20	10		HGCDRM
CCO[C@@H]1C[C@@](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)(C(=O)[O-])C1(C)C	ZINC000799251619	939215241	/nfs/dbraw/zinc/21/52/41/939215241.db2.gz	JXQOEIMZASYMIW-AUSIDOKSSA-N	-1	0	414.502	3.491	20	10		HGCDRM
O=C([O-])[C@@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccccc1	ZINC000780524824	939130580	/nfs/dbraw/zinc/13/05/80/939130580.db2.gz	HBRKFVSZMAIVBA-SFHVURJKSA-N	-1	0	419.428	3.382	20	10		HGCDRM
O=C([O-])C1(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCCC1	ZINC000780598822	939140190	/nfs/dbraw/zinc/14/01/90/939140190.db2.gz	KKSZQMUGTIPGAZ-CQSZACIVSA-N	-1	0	411.449	3.344	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3cccs3)cc2F)C[C@H](C)O1	ZINC000797709872	939168068	/nfs/dbraw/zinc/16/80/68/939168068.db2.gz	MGMRWOYTIYCHEJ-JCGVRSQUSA-N	-1	0	421.494	3.126	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2F)C[C@H](C)O1	ZINC000797709871	939168268	/nfs/dbraw/zinc/16/82/68/939168268.db2.gz	MGMRWOYTIYCHEJ-FHSNZYRGSA-N	-1	0	421.494	3.126	20	10		HGCDRM
CC[C@@](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)(C(=O)[O-])c1ccccc1	ZINC000797715555	939176344	/nfs/dbraw/zinc/17/63/44/939176344.db2.gz	RHMRBLZYDCRTOL-SBUREZEXSA-N	-1	0	411.502	3.274	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1F	ZINC000797719715	939181210	/nfs/dbraw/zinc/18/12/10/939181210.db2.gz	RGEYPKCPXVXGTP-FQEVSTJZSA-N	-1	0	415.465	3.232	20	10		HGCDRM
CCO[C@@H]1C[C@](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)(C(=O)[O-])C1(C)C	ZINC000799251622	939215165	/nfs/dbraw/zinc/21/51/65/939215165.db2.gz	JXQOEIMZASYMIW-XXBNENTESA-N	-1	0	414.502	3.491	20	10		HGCDRM
CCO[C@H]1C[C@@](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)(C(=O)[O-])C1(C)C	ZINC000799251621	939215322	/nfs/dbraw/zinc/21/53/22/939215322.db2.gz	JXQOEIMZASYMIW-WMZHIEFXSA-N	-1	0	414.502	3.491	20	10		HGCDRM
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	ZINC000780600677	939139819	/nfs/dbraw/zinc/13/98/19/939139819.db2.gz	PRYUPJACUKUXHF-QAPCUYQASA-N	-1	0	419.428	3.382	20	10		HGCDRM
O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	ZINC000780600674	939140013	/nfs/dbraw/zinc/14/00/13/939140013.db2.gz	PRYUPJACUKUXHF-CRAIPNDOSA-N	-1	0	419.428	3.382	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCCC3)cc2F)C[C@@H](C)O1	ZINC000797709970	939168261	/nfs/dbraw/zinc/16/82/61/939168261.db2.gz	OMJHQFKFCFUTMK-HZPDHXFCSA-N	-1	0	421.513	3.416	20	10		HGCDRM
CC[C@](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)(C(=O)[O-])c1ccccc1	ZINC000797715557	939176356	/nfs/dbraw/zinc/17/63/56/939176356.db2.gz	RHMRBLZYDCRTOL-UZUQRXQVSA-N	-1	0	411.502	3.274	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(OC)c(F)c2)cc1F	ZINC000797719746	939181269	/nfs/dbraw/zinc/18/12/69/939181269.db2.gz	RNUUCIILJTWGFZ-IBGZPJMESA-N	-1	0	421.444	3.445	20	10		HGCDRM
Cc1cc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])ccc1F	ZINC000797714615	939175091	/nfs/dbraw/zinc/17/50/91/939175091.db2.gz	KZIGQNSOZCQJAL-QRWLVFNGSA-N	-1	0	415.465	3.157	20	10		HGCDRM
CN(C)c1ccc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(Br)cc2)cc1F	ZINC000797714970	939175693	/nfs/dbraw/zinc/17/56/93/939175693.db2.gz	IBEUIOOIBVQRFD-INIZCTEOSA-N	-1	0	424.270	3.279	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2F)C[C@@H](C)O1	ZINC000780445804	939123029	/nfs/dbraw/zinc/12/30/29/939123029.db2.gz	SBWUFGMQYLVKDH-SXGZJXTBSA-N	-1	0	415.465	3.064	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cc2F)C[C@H](C)O1	ZINC000780445690	939123017	/nfs/dbraw/zinc/12/30/17/939123017.db2.gz	OGYJXYAZYNWGHG-QEEYODRMSA-N	-1	0	421.513	3.272	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3cccs3)cc2F)C[C@@H](C)O1	ZINC000797709873	939168139	/nfs/dbraw/zinc/16/81/39/939168139.db2.gz	MGMRWOYTIYCHEJ-SNUQEOBHSA-N	-1	0	421.494	3.126	20	10		HGCDRM
Cc1cc(C)cc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1	ZINC000797713942	939174048	/nfs/dbraw/zinc/17/40/48/939174048.db2.gz	AYYKHDILNDUWGT-UWJYYQICSA-N	-1	0	411.502	3.326	20	10		HGCDRM
CCO[C@@H]1C[C@](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)(C(=O)[O-])C1(C)C	ZINC000797718125	939179846	/nfs/dbraw/zinc/17/98/46/939179846.db2.gz	AHEQYPUDBKIQKG-UTKZUKDTSA-N	-1	0	409.502	3.130	20	10		HGCDRM
C[C@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCC3)cc2F)C[C@H](C)O1	ZINC000780446082	939123004	/nfs/dbraw/zinc/12/30/04/939123004.db2.gz	ZIBMXOWCUPGODH-GJZGRUSLSA-N	-1	0	407.486	3.026	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3cccs3)cc2F)C[C@@H](C)O1	ZINC000797709874	939168251	/nfs/dbraw/zinc/16/82/51/939168251.db2.gz	MGMRWOYTIYCHEJ-VFVRVIDISA-N	-1	0	421.494	3.126	20	10		HGCDRM
Cc1cc(C)cc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])c1	ZINC000797713935	939174149	/nfs/dbraw/zinc/17/41/49/939174149.db2.gz	AYYKHDILNDUWGT-DYESRHJHSA-N	-1	0	411.502	3.326	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)cc1)C1CCCCC1	ZINC000797715506	939176143	/nfs/dbraw/zinc/17/61/43/939176143.db2.gz	OZRGQRPAIRAZEY-XLIONFOSSA-N	-1	0	403.523	3.135	20	10		HGCDRM
Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1C	ZINC000797713925	939173981	/nfs/dbraw/zinc/17/39/81/939173981.db2.gz	ATMQORYLJPRZNH-UWJYYQICSA-N	-1	0	411.502	3.326	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@H](C(=O)[O-])C2CCOCC2)cc1)C1CCCCC1	ZINC000797714441	939174503	/nfs/dbraw/zinc/17/45/03/939174503.db2.gz	AQCWTARDJMQTJO-FQEVSTJZSA-N	-1	0	403.523	3.135	20	10		HGCDRM
CN(C)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1F	ZINC000797714971	939175626	/nfs/dbraw/zinc/17/56/26/939175626.db2.gz	IBEUIOOIBVQRFD-MRXNPFEDSA-N	-1	0	424.270	3.279	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)cc1)C1CCCCC1	ZINC000797715502	939176290	/nfs/dbraw/zinc/17/62/90/939176290.db2.gz	OZRGQRPAIRAZEY-FXAWDEMLSA-N	-1	0	403.523	3.135	20	10		HGCDRM
CCC1CCC(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)(C(=O)[O-])CC1	ZINC000797714127	939173966	/nfs/dbraw/zinc/17/39/66/939173966.db2.gz	CAAJWRFRVMXGPL-CSZIGFGKSA-N	-1	0	403.523	3.307	20	10		HGCDRM
Cc1cc(C(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(C)n1-c1ccccc1	ZINC000005656567	560636812	/nfs/dbraw/zinc/63/68/12/560636812.db2.gz	UNRMQKCBBMBJGL-UHFFFAOYSA-N	-1	0	401.422	3.385	20	10		HGCDRM
Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1C	ZINC000797713924	939173955	/nfs/dbraw/zinc/17/39/55/939173955.db2.gz	ATMQORYLJPRZNH-UTKZUKDTSA-N	-1	0	411.502	3.326	20	10		HGCDRM
O=C([O-])[C@@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000756386652	1126108668	/nfs/dbraw/zinc/10/86/68/1126108668.db2.gz	IBQVLVMBKDEXQX-MRXNPFEDSA-N	-1	0	407.257	3.065	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2F)C[C@H](C)O1	ZINC000780445802	939122948	/nfs/dbraw/zinc/12/29/48/939122948.db2.gz	SBWUFGMQYLVKDH-QEEYODRMSA-N	-1	0	415.465	3.064	20	10		HGCDRM
CCN(CC)c1ccc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1F	ZINC000797718710	939180173	/nfs/dbraw/zinc/18/01/73/939180173.db2.gz	HDLNKYWTDIHSJQ-LJQANCHMSA-N	-1	0	403.454	3.306	20	10		HGCDRM
COc1ccc([C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])cc1Cl	ZINC000797714925	939175787	/nfs/dbraw/zinc/17/57/87/939175787.db2.gz	HNPRUKFXLFMWPN-QGZVFWFLSA-N	-1	0	409.845	3.179	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)cc1)C1CCCCC1	ZINC000797715508	939176283	/nfs/dbraw/zinc/17/62/83/939176283.db2.gz	OZRGQRPAIRAZEY-YLJYHZDGSA-N	-1	0	403.523	3.135	20	10		HGCDRM
O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccccc1	ZINC000780600676	939139793	/nfs/dbraw/zinc/13/97/93/939139793.db2.gz	PRYUPJACUKUXHF-MAUKXSAKSA-N	-1	0	419.428	3.382	20	10		HGCDRM
O=C([O-])C1(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCCC1	ZINC000780598821	939140202	/nfs/dbraw/zinc/14/02/02/939140202.db2.gz	KKSZQMUGTIPGAZ-AWEZNQCLSA-N	-1	0	411.449	3.344	20	10		HGCDRM
Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1C	ZINC000797713922	939174083	/nfs/dbraw/zinc/17/40/83/939174083.db2.gz	ATMQORYLJPRZNH-DYESRHJHSA-N	-1	0	411.502	3.326	20	10		HGCDRM
O=C([O-])C1(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)CCCC1	ZINC000914731850	939783324	/nfs/dbraw/zinc/78/33/24/939783324.db2.gz	NEIUSLYYURTBNC-QBFSEMIESA-N	-1	0	424.569	3.243	20	10		HGCDRM
C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2F)C[C@H](C)O1	ZINC000780445800	939122918	/nfs/dbraw/zinc/12/29/18/939122918.db2.gz	SBWUFGMQYLVKDH-AVYPCKFXSA-N	-1	0	415.465	3.064	20	10		HGCDRM
Cc1cc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])ccc1F	ZINC000797714614	939175033	/nfs/dbraw/zinc/17/50/33/939175033.db2.gz	KZIGQNSOZCQJAL-MGPUTAFESA-N	-1	0	415.465	3.157	20	10		HGCDRM
C[C@H]1CN(c2ccc(CNC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2F)C[C@H](C)O1	ZINC000780445799	939122727	/nfs/dbraw/zinc/12/27/27/939122727.db2.gz	SBWUFGMQYLVKDH-AUSJPIAWSA-N	-1	0	415.465	3.064	20	10		HGCDRM
C[C@@H]1CN(c2ccc(CNC(=O)NC3(C(=O)[O-])CCCCCC3)cc2F)C[C@H](C)O1	ZINC000797709971	939168208	/nfs/dbraw/zinc/16/82/08/939168208.db2.gz	OMJHQFKFCFUTMK-IYBDPMFKSA-N	-1	0	421.513	3.416	20	10		HGCDRM
CN(c1ccc(CNC(=O)N[C@@H](C(=O)[O-])C2CCOCC2)cc1)C1CCCCC1	ZINC000797714442	939174773	/nfs/dbraw/zinc/17/47/73/939174773.db2.gz	AQCWTARDJMQTJO-HXUWFJFHSA-N	-1	0	403.523	3.135	20	10		HGCDRM
CCO[C@H]1C[C@@](NC(=O)NCc2ccc(N(CC)CC)c(F)c2)(C(=O)[O-])C1(C)C	ZINC000797718123	939179730	/nfs/dbraw/zinc/17/97/30/939179730.db2.gz	AHEQYPUDBKIQKG-LAUBAEHRSA-N	-1	0	409.502	3.130	20	10		HGCDRM
O=C([O-])[C@H](Cc1cn(-c2ccccc2)nn1)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000756386650	1126108575	/nfs/dbraw/zinc/10/85/75/1126108575.db2.gz	IBQVLVMBKDEXQX-INIZCTEOSA-N	-1	0	407.257	3.065	20	10		HGCDRM