smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCCCC(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001602675543	971251040	/nfs/dbraw/zinc/25/10/40/971251040.db2.gz	YXOFGGYDEMOICV-UHFFFAOYSA-N	-2	0	279.256	-1.073	20	50		CAGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)C2CC2)nn1	ZINC001595143572	952101669	/nfs/dbraw/zinc/10/16/69/952101669.db2.gz	IRKPHWGSROVBMW-UHFFFAOYSA-N	-2	0	253.218	-1.466	20	50		CAGDRL
O=C([O-])[C@@H]1CC[C@H]1C(=O)N[N-]C(=O)c1ncon1	ZINC001594783030	953651506	/nfs/dbraw/zinc/65/15/06/953651506.db2.gz	RXSXQCHPSGLADO-RFZPGFLSSA-N	-2	0	254.202	-1.059	20	50		CAGDRL
O=C([O-])[C@@H]1CC[C@@H]1C(=O)N[N-]C(=O)c1ncon1	ZINC001594783029	953652200	/nfs/dbraw/zinc/65/22/00/953652200.db2.gz	RXSXQCHPSGLADO-CRCLSJGQSA-N	-2	0	254.202	-1.059	20	50		CAGDRL
CN(C)CC(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001593692129	954049109	/nfs/dbraw/zinc/04/91/09/954049109.db2.gz	QNHHMLOVUDRXKS-UHFFFAOYSA-N	-2	0	270.249	-2.315	20	50		CAGDRL
O=C([O-])C1=NO[C@H](C(=O)N[N-]C(=O)c2cccnn2)C1	ZINC001594891732	954537285	/nfs/dbraw/zinc/53/72/85/954537285.db2.gz	YELBYMQEMMYYEG-ZETCQYMHSA-N	-2	0	279.212	-1.533	20	50		CAGDRL
O=C([O-])C1=NO[C@@H](C(=O)N[N-]C(=O)c2cccnn2)C1	ZINC001594891730	954537684	/nfs/dbraw/zinc/53/76/84/954537684.db2.gz	YELBYMQEMMYYEG-SSDOTTSWSA-N	-2	0	279.212	-1.533	20	50		CAGDRL
O=C([O-])c1ccc(C(=O)N[N-]C(=O)c2cn[nH]n2)nc1	ZINC000740110168	955257876	/nfs/dbraw/zinc/25/78/76/955257876.db2.gz	VBTFKZUNFPGXSV-UHFFFAOYSA-N	-2	0	276.212	-1.027	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)[C@@]2(C(=O)[O-])CCCO2)nn1	ZINC001594530411	955527059	/nfs/dbraw/zinc/52/70/59/955527059.db2.gz	RPPQOLWTPMTWKZ-SNVBAGLBSA-N	-2	0	283.244	-1.790	20	50		CAGDRL
CO[C@H](C(=O)[O-])C(=O)NNc1nnc(C)c(=O)[n-]1	ZINC001593911015	955963686	/nfs/dbraw/zinc/96/36/86/955963686.db2.gz	FUDSLAWOEFVLGN-BYPYZUCNSA-N	-2	0	257.206	-1.572	20	50		CAGDRL
CO[C@@H](C(=O)[O-])C(=O)NNc1nc[n-]c2ncnc1-2	ZINC001593911423	955967852	/nfs/dbraw/zinc/96/78/52/955967852.db2.gz	KYGVCTOGKUMWPT-RXMQYKEDSA-N	-2	0	266.217	-1.104	20	50		CAGDRL
CO[C@H](C(=O)[O-])C(=O)NNc1nc[n-]c2ncnc1-2	ZINC001593911424	955968004	/nfs/dbraw/zinc/96/80/04/955968004.db2.gz	KYGVCTOGKUMWPT-YFKPBYRVSA-N	-2	0	266.217	-1.104	20	50		CAGDRL
CO[C@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ncccn1	ZINC001593926099	956128209	/nfs/dbraw/zinc/12/82/09/956128209.db2.gz	BPFZOUSNWGPYOP-JTQLQIEISA-N	-2	0	268.229	-1.273	20	50		CAGDRL
CO[C@@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001593926249	956129310	/nfs/dbraw/zinc/12/93/10/956129310.db2.gz	FGXMSBFWNUTFJM-SECBINFHSA-N	-2	0	271.233	-1.934	20	50		CAGDRL
Cc1nnc(NNC(=O)COCC(=O)[O-])[n-]c1=O	ZINC001594493292	959725357	/nfs/dbraw/zinc/72/53/57/959725357.db2.gz	YPIFZKYVBJOEAX-UHFFFAOYSA-N	-2	0	257.206	-1.570	20	50		CAGDRL
CCOC(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573900054	961410384	/nfs/dbraw/zinc/41/03/84/961410384.db2.gz	JTTGYSZVIFMHHJ-UHFFFAOYSA-N	-2	0	257.206	-1.246	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)[C@H]2CC[C@H]2C(=O)[O-])nn1	ZINC001574449047	961463447	/nfs/dbraw/zinc/46/34/47/961463447.db2.gz	GNGRSCLBPTXYIJ-NTSWFWBYSA-N	-2	0	267.245	-1.313	20	50		CAGDRL
CC(C)[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC001588808287	961496837	/nfs/dbraw/zinc/49/68/37/961496837.db2.gz	OMPHHKMZRCOQPE-ZCFIWIBFSA-N	-2	0	255.234	-1.078	20	50		CAGDRL
O=C([O-])[C@H](C(=O)N[N-]C(=O)c1ncon1)C1CC1	ZINC001574578617	962088995	/nfs/dbraw/zinc/08/89/95/962088995.db2.gz	JZVLSQDANRKCDK-YFKPBYRVSA-N	-2	0	254.202	-1.059	20	50		CAGDRL
O=C([O-])c1cnc(C(=O)[N-]NC(=O)Cc2cc[nH]n2)cn1	ZINC001608358106	970404715	/nfs/dbraw/zinc/40/47/15/970404715.db2.gz	GHIUCINAWHOSJO-UHFFFAOYSA-N	-2	0	290.239	-1.098	20	50		CAGDRL
O=C([O-])C1=NO[C@H](C(=O)N[N-]C(=O)c2ncccn2)C1	ZINC001605969964	972972218	/nfs/dbraw/zinc/97/22/18/972972218.db2.gz	IAAJPTYTXHYWKO-LURJTMIESA-N	-2	0	279.212	-1.533	20	50		CAGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)C2CCC2)nn1	ZINC001606331829	973764762	/nfs/dbraw/zinc/76/47/62/973764762.db2.gz	ZAGUTGSVTHYICB-UHFFFAOYSA-N	-2	0	267.245	-1.076	20	50		CAGDRL
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001592360460	977849330	/nfs/dbraw/zinc/84/93/30/977849330.db2.gz	ZIRRMESJMHOWAU-RXMQYKEDSA-N	-2	0	255.234	-1.313	20	50		CAGDRL
CC(C)(NC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000736336534	978319907	/nfs/dbraw/zinc/31/99/07/978319907.db2.gz	HIYFGKIETUWQLR-UHFFFAOYSA-N	-2	0	256.222	-1.388	20	50		CAGDRL
CCNC(=O)N[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000737123953	978380373	/nfs/dbraw/zinc/38/03/73/978380373.db2.gz	OECZRVZNCOYWQA-UHFFFAOYSA-N	-2	0	291.289	-1.071	20	50		CAGDRL
CC(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001589150164	985469370	/nfs/dbraw/zinc/46/93/70/985469370.db2.gz	KYQRQKMMIWPQOA-UHFFFAOYSA-N	-2	0	262.247	-1.703	20	50		CAGDRL
CC(C)(O)C(=O)N[N-]C(=O)c1cc(C(=O)[O-])on1	ZINC001590882437	990802586	/nfs/dbraw/zinc/80/25/86/990802586.db2.gz	DTDZVWYSULMVKZ-UHFFFAOYSA-N	-2	0	257.202	-1.095	20	50		CAGDRL
CC(C)C(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000826658126	600671832	/nfs/dbraw/zinc/67/18/32/600671832.db2.gz	HTCVYBXPSRBGJI-UHFFFAOYSA-N	-2	0	290.301	-1.067	20	50		CAGDRL
O=C([O-])c1cccc(C(=O)[N-]NC(=O)[C@@H]2COCCO2)n1	ZINC000833328483	601097841	/nfs/dbraw/zinc/09/78/41/601097841.db2.gz	PRTZVCLGMDHZQU-VIFPVBQESA-N	-2	0	295.251	-1.044	20	50		CAGDRL
Cc1nnc(NNC(=O)COC2CN(C(=O)[O-])C2)[n-]c1=O	ZINC000830887189	603471423	/nfs/dbraw/zinc/47/14/23/603471423.db2.gz	BWJFEMZGPSUOAE-UHFFFAOYSA-N	-2	0	298.259	-1.292	20	50		CAGDRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[N-]C(=O)c1ccccn1	ZINC000831737003	603628959	/nfs/dbraw/zinc/62/89/59/603628959.db2.gz	ZWHQILALDCDOQB-CBAPKCEASA-N	-2	0	294.267	-1.044	20	50		CAGDRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1ccccn1	ZINC000831737004	603629387	/nfs/dbraw/zinc/62/93/87/603629387.db2.gz	ZWHQILALDCDOQB-IONNQARKSA-N	-2	0	294.267	-1.044	20	50		CAGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1ncccn1	ZINC000832658587	603804792	/nfs/dbraw/zinc/80/47/92/603804792.db2.gz	RYOJBHQEGSGTJU-UHFFFAOYSA-N	-2	0	268.233	-1.312	20	50		CAGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1cn[nH]c1	ZINC000832608978	603956263	/nfs/dbraw/zinc/95/62/63/603956263.db2.gz	NXMWOAFIYFXOJR-UHFFFAOYSA-N	-2	0	291.289	-1.233	20	50		CAGDRL
O=C([O-])N1CC(OCC(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831537875	604002857	/nfs/dbraw/zinc/00/28/57/604002857.db2.gz	PMGDGAGEZXBZEO-UHFFFAOYSA-N	-2	0	284.232	-2.056	20	50		CAGDRL
O=C([O-])N1CCO[C@@H](C(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831736469	604840153	/nfs/dbraw/zinc/84/01/53/604840153.db2.gz	MNZHAVHVLKITIW-ZCFIWIBFSA-N	-2	0	284.232	-2.056	20	50		CAGDRL
Cc1nnc(NNC(=O)[C@@H]2CN(C(=O)[O-])CCO2)[n-]c1=O	ZINC000830887881	605250314	/nfs/dbraw/zinc/25/03/14/605250314.db2.gz	VWWKTGPUUAUKLB-LURJTMIESA-N	-2	0	298.259	-1.292	20	50		CAGDRL
O=C([O-])NCC(=O)NCC(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000834198369	605380901	/nfs/dbraw/zinc/38/09/01/605380901.db2.gz	IIDFNQQCNWSEFF-UHFFFAOYSA-N	-2	0	285.220	-3.051	20	50		CAGDRL
Cn1cnc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833958110	605391829	/nfs/dbraw/zinc/39/18/29/605391829.db2.gz	ARSUERQQSBHKIS-UHFFFAOYSA-N	-2	0	277.262	-2.003	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1n[nH]c2c1CCC2	ZINC000834203601	605449497	/nfs/dbraw/zinc/44/94/97/605449497.db2.gz	XISHGSNSIDGGMY-UHFFFAOYSA-N	-2	0	267.245	-1.073	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnn2cccnc12	ZINC000834203237	605452495	/nfs/dbraw/zinc/45/24/95/605452495.db2.gz	OBKRMVZIMXZLFE-UHFFFAOYSA-N	-2	0	278.228	-1.242	20	50		CAGDRL
O=C([O-])Cn1cc(C=NNC(=O)NCCNC(=O)[O-])nn1	ZINC000831815612	605453890	/nfs/dbraw/zinc/45/38/90/605453890.db2.gz	OUQCAWDSHAYKIE-UHFFFAOYSA-N	-2	0	299.247	-1.737	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cn2cccnc2n1	ZINC000834203634	605458867	/nfs/dbraw/zinc/45/88/67/605458867.db2.gz	YEDACADMQONDSC-UHFFFAOYSA-N	-2	0	278.228	-1.242	20	50		CAGDRL
O=C([O-])NCCNC(=O)N[N-]C(=O)c1cnco1	ZINC000834243592	605471496	/nfs/dbraw/zinc/47/14/96/605471496.db2.gz	PQNMWBJBSNPDMU-UHFFFAOYSA-N	-2	0	257.206	-1.114	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ncccc1O	ZINC000834202778	605487826	/nfs/dbraw/zinc/48/78/26/605487826.db2.gz	AVJPDDOZHLNEDG-UHFFFAOYSA-N	-3	0	254.202	-1.184	20	50		CAGDRL
O=C([O-])Cn1cc(C=NNC(=O)CCCNC(=O)[O-])nn1	ZINC000834069618	605796276	/nfs/dbraw/zinc/79/62/76/605796276.db2.gz	VIGXQTIPWJGOIP-UHFFFAOYSA-N	-2	0	298.259	-1.139	20	50		CAGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cccc[n+]1[O-]	ZINC000834228841	605845907	/nfs/dbraw/zinc/84/59/07/605845907.db2.gz	QWEXAEJZBUAQCH-UHFFFAOYSA-N	-2	0	268.229	-1.261	20	50		CAGDRL
O=C([O-])NCCCC(=O)NNC(=O)c1cc(=O)[nH][n-]1	ZINC000834228937	605995346	/nfs/dbraw/zinc/99/53/46/605995346.db2.gz	URTXKPBUHXIEIP-UHFFFAOYSA-N	-2	0	271.233	-1.943	20	50		CAGDRL
Cc1nc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c[nH]1	ZINC000833912454	606037123	/nfs/dbraw/zinc/03/71/23/606037123.db2.gz	KABDNBMFKRHKSK-UHFFFAOYSA-N	-2	0	270.249	-1.070	20	50		CAGDRL
Cn1nc(C(=O)[O-])cc1C(=O)N[N-]C(=O)c1cccnn1	ZINC001601001527	970902899	/nfs/dbraw/zinc/90/28/99/970902899.db2.gz	CUHLYGCPFOKKQW-UHFFFAOYSA-N	-2	0	290.239	-1.017	20	50		CAGDRL
O=C([O-])c1cnc(C(=O)[N-]NC(=O)N2CCOCC2)cn1	ZINC001595266360	949750467	/nfs/dbraw/zinc/75/04/67/949750467.db2.gz	JMDOBJXLOUTFQI-UHFFFAOYSA-N	-2	0	295.255	-1.139	20	50		CAGDRL
O=C([O-])COCC(=O)N[N-]C(=O)c1ncccn1	ZINC001595107456	951888242	/nfs/dbraw/zinc/88/82/42/951888242.db2.gz	YUJUHQSTOBEBGW-UHFFFAOYSA-N	-2	0	254.202	-1.661	20	50		CAGDRL
O=C([O-])c1cc(C(=O)N[N-]C(=O)c2ncccn2)[nH]n1	ZINC001594780049	953620264	/nfs/dbraw/zinc/62/02/64/953620264.db2.gz	FXCKPOHLMZLCIM-UHFFFAOYSA-N	-2	0	276.212	-1.027	20	50		CAGDRL
O=C(N[N-]C(=O)c1ncon1)N[C@H]1C[C@@H](C(=O)[O-])C1	ZINC001594780443	953625115	/nfs/dbraw/zinc/62/51/15/953625115.db2.gz	QDWJSYOMCNZBCL-SYDPRGILSA-N	-2	0	269.217	-1.123	20	50		CAGDRL
O=C([O-])C1(C(=O)N[N-]C(=O)c2cn[nH]n2)CCOCC1	ZINC001594782993	953651733	/nfs/dbraw/zinc/65/17/33/953651733.db2.gz	QTULBUHFPONUPX-UHFFFAOYSA-N	-2	0	283.244	-1.553	20	50		CAGDRL
O=C([O-])c1cc(C(=O)N[N-]C(=O)c2cccnn2)[nH]n1	ZINC001594783213	953653360	/nfs/dbraw/zinc/65/33/60/953653360.db2.gz	WGCNHNBVNFAFKS-UHFFFAOYSA-N	-2	0	276.212	-1.027	20	50		CAGDRL
Cn1cc(C(=O)NNC(=O)CSCC(=O)[O-])cn1	ZINC000740284602	955258361	/nfs/dbraw/zinc/25/83/61/955258361.db2.gz	OMJLAZORBSJING-UHFFFAOYSA-N	-2	0	272.286	-1.001	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)c2ccc(C(=O)[O-])nc2)nn1	ZINC001594530300	955524066	/nfs/dbraw/zinc/52/40/66/955524066.db2.gz	KVMLLAHOSMANAW-UHFFFAOYSA-N	-2	0	290.239	-1.017	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)C2(C(=O)[O-])CCC2)nn1	ZINC001594530478	955526669	/nfs/dbraw/zinc/52/66/69/955526669.db2.gz	WDFWOWHZLASEFQ-UHFFFAOYSA-N	-2	0	267.245	-1.169	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)CCCC(=O)[O-])nn1	ZINC001594530517	955528982	/nfs/dbraw/zinc/52/89/82/955528982.db2.gz	YZDHICMBPPBTNC-UHFFFAOYSA-N	-2	0	255.234	-1.169	20	50		CAGDRL
CO[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ncccn1	ZINC001593911913	955974133	/nfs/dbraw/zinc/97/41/33/955974133.db2.gz	UGMRVINOICBRDM-YFKPBYRVSA-N	-2	0	254.202	-1.663	20	50		CAGDRL
CO[C@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1cnsn1	ZINC001593926613	956135512	/nfs/dbraw/zinc/13/55/12/956135512.db2.gz	LKGDHEDZQNRHHI-QMMMGPOBSA-N	-2	0	274.258	-1.211	20	50		CAGDRL
CO[C@@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1cnsn1	ZINC001593926612	956135542	/nfs/dbraw/zinc/13/55/42/956135542.db2.gz	LKGDHEDZQNRHHI-MRVPVSSYSA-N	-2	0	274.258	-1.211	20	50		CAGDRL
C=CCNC(=S)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588465270	958499744	/nfs/dbraw/zinc/49/97/44/958499744.db2.gz	ABSPJGOVENDPSH-UHFFFAOYSA-N	-2	0	284.301	-1.342	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)[C@H](C(=O)[O-])C2CC2)nnn1C	ZINC001594256801	959657573	/nfs/dbraw/zinc/65/75/73/959657573.db2.gz	NKSBPNDYSXMZQT-SSDOTTSWSA-N	-2	0	281.272	-1.005	20	50		CAGDRL
C[C@@H]1OCC[C@H]1C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573756905	960561942	/nfs/dbraw/zinc/56/19/42/960561942.db2.gz	DBOQFZGTKKFZNZ-NKWVEPMBSA-N	-2	0	297.271	-1.451	20	50		CAGDRL
C[C@H]1OCC[C@H]1C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573756908	960562155	/nfs/dbraw/zinc/56/21/55/960562155.db2.gz	DBOQFZGTKKFZNZ-RNFRBKRXSA-N	-2	0	297.271	-1.451	20	50		CAGDRL
CC(C)(O)C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588795840	961391673	/nfs/dbraw/zinc/39/16/73/961391673.db2.gz	LYCHCSAJTJVYAC-UHFFFAOYSA-N	-2	0	271.233	-2.105	20	50		CAGDRL
CC(C)[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC001588808285	961496606	/nfs/dbraw/zinc/49/66/06/961496606.db2.gz	OMPHHKMZRCOQPE-LURJTMIESA-N	-2	0	255.234	-1.078	20	50		CAGDRL
O=C([O-])[C@@H](C(=O)N[N-]C(=O)c1ncon1)C1CC1	ZINC001574578614	962088891	/nfs/dbraw/zinc/08/88/91/962088891.db2.gz	JZVLSQDANRKCDK-RXMQYKEDSA-N	-2	0	254.202	-1.059	20	50		CAGDRL
O=C([O-])[C@]1(C(=O)N[N-]C(=O)c2ncccn2)CCCO1	ZINC001574579210	962097128	/nfs/dbraw/zinc/09/71/28/962097128.db2.gz	YLVIYPBWNKSWFX-LLVKDONJSA-N	-2	0	280.240	-1.129	20	50		CAGDRL
O=C([O-])[C@@]1(C(=O)N[N-]C(=O)c2ncccn2)CCCO1	ZINC001574579213	962097885	/nfs/dbraw/zinc/09/78/85/962097885.db2.gz	YLVIYPBWNKSWFX-NSHDSACASA-N	-2	0	280.240	-1.129	20	50		CAGDRL
COC(=O)N(C)[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001604341507	973029857	/nfs/dbraw/zinc/02/98/57/973029857.db2.gz	LYJHEXSIXVNHOI-UHFFFAOYSA-N	-2	0	257.206	-1.294	20	50		CAGDRL
O=C([O-])CC[C@H]1C[C@H](C(=O)N[N-]C(=O)c2cn[nH]n2)CO1	ZINC001606111968	973328618	/nfs/dbraw/zinc/32/86/18/973328618.db2.gz	QZDWZHWABGWWRS-BQBZGAKWSA-N	-2	0	297.271	-1.164	20	50		CAGDRL
CC(C)[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000736377314	978328674	/nfs/dbraw/zinc/32/86/74/978328674.db2.gz	ZHWMBCXEAMXQBK-ZCFIWIBFSA-N	-2	0	270.249	-1.142	20	50		CAGDRL
CCOC(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC000829865375	600671768	/nfs/dbraw/zinc/67/17/68/600671768.db2.gz	CLWXWLDLRLMRCI-UHFFFAOYSA-N	-2	0	292.273	-1.093	20	50		CAGDRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1ccccn1	ZINC000831737005	603629187	/nfs/dbraw/zinc/62/91/87/603629187.db2.gz	ZWHQILALDCDOQB-VXNVDRBHSA-N	-2	0	294.267	-1.044	20	50		CAGDRL
O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000831736817	603758999	/nfs/dbraw/zinc/75/89/99/603758999.db2.gz	VXFCWTWSQFPYLO-UJURSFKZSA-N	-2	0	284.232	-2.321	20	50		CAGDRL
O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000831736816	603759354	/nfs/dbraw/zinc/75/93/54/603759354.db2.gz	VXFCWTWSQFPYLO-NJGYIYPDSA-N	-2	0	284.232	-2.321	20	50		CAGDRL
C[C@@]1(C(=O)N[N-]C(=O)c2cn[nH]n2)CCN(C(=O)[O-])C1	ZINC000825673947	603927918	/nfs/dbraw/zinc/92/79/18/603927918.db2.gz	VUNZBYUMAZNSSJ-SNVBAGLBSA-N	-2	0	282.260	-1.044	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cn[nH]c1	ZINC000832397389	603956216	/nfs/dbraw/zinc/95/62/16/603956216.db2.gz	UGWWKTRRKCOWCS-UHFFFAOYSA-N	-2	0	263.235	-2.013	20	50		CAGDRL
C[C@@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000824869321	604154858	/nfs/dbraw/zinc/15/48/58/604154858.db2.gz	WFQZFYBRBXYUMZ-YFKPBYRVSA-N	-2	0	270.249	-1.188	20	50		CAGDRL
O=C([O-])NC1(C(=O)N[N-]C(=O)c2cn[nH]n2)CC1	ZINC000832175524	604463396	/nfs/dbraw/zinc/46/33/96/604463396.db2.gz	FATVEASJYAGPJF-UHFFFAOYSA-N	-2	0	254.206	-1.634	20	50		CAGDRL
O=C([O-])Cn1cc(C=NNC(=O)CNC(=O)[O-])nn1	ZINC000834066954	605385449	/nfs/dbraw/zinc/38/54/49/605385449.db2.gz	CALVZZYAUGTGFS-UHFFFAOYSA-N	-2	0	270.205	-1.920	20	50		CAGDRL
Cn1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])n1	ZINC000833952167	605391674	/nfs/dbraw/zinc/39/16/74/605391674.db2.gz	HYFMGHUCWXZIKC-UHFFFAOYSA-N	-2	0	277.262	-2.003	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1c[nH]cn1	ZINC000834204032	605394908	/nfs/dbraw/zinc/39/49/08/605394908.db2.gz	SHKGCVCFWZOLFB-UHFFFAOYSA-N	-2	0	263.235	-2.013	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)C(F)(F)C1(O)CCC1	ZINC000834200774	605444488	/nfs/dbraw/zinc/44/44/88/605444488.db2.gz	AWEZBQVYLSGONX-UHFFFAOYSA-N	-2	0	281.215	-1.048	20	50		CAGDRL
N#Cc1ccc(C(=O)[N-]NC(=O)CNC(=O)[O-])nc1	ZINC000833974766	605450260	/nfs/dbraw/zinc/45/02/60/605450260.db2.gz	WRPJQFOBRNSDGK-UHFFFAOYSA-N	-2	0	263.213	-1.018	20	50		CAGDRL
NC(=O)c1csc(C(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833987046	605456660	/nfs/dbraw/zinc/45/66/60/605456660.db2.gz	WMSKMYKSKCXTNS-UHFFFAOYSA-N	-2	0	286.269	-1.124	20	50		CAGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cnns1	ZINC000834228702	605845645	/nfs/dbraw/zinc/84/56/45/605845645.db2.gz	OSPXFAVQJJVYHW-UHFFFAOYSA-N	-2	0	259.247	-1.043	20	50		CAGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1nc[nH]n1	ZINC000834232686	605977736	/nfs/dbraw/zinc/97/77/36/605977736.db2.gz	WKOIQHHUQNGLSL-UHFFFAOYSA-N	-2	0	256.222	-1.387	20	50		CAGDRL
O=C([O-])N(CC(=O)N[N-]C(=O)c1cn[nH]n1)C1CC1	ZINC000834000895	605984314	/nfs/dbraw/zinc/98/43/14/605984314.db2.gz	ANKRJIKHEOVXKY-UHFFFAOYSA-N	-2	0	268.233	-1.292	20	50		CAGDRL
O=C([O-])CSCC(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000740485270	955259740	/nfs/dbraw/zinc/25/97/40/955259740.db2.gz	FLFRXDWEOIOOLR-UHFFFAOYSA-N	-2	0	259.247	-1.617	20	50		CAGDRL
O=C([O-])CCNC(=O)N[N-]C(=O)c1cccnn1	ZINC001595059229	951512146	/nfs/dbraw/zinc/51/21/46/951512146.db2.gz	VVBHSEQMWKXMPM-UHFFFAOYSA-N	-2	0	253.218	-1.105	20	50		CAGDRL
O=C([O-])C1(C(=O)N[N-]C(=O)c2cn[nH]n2)CCC1	ZINC001594779184	953613896	/nfs/dbraw/zinc/61/38/96/953613896.db2.gz	LDIOXCAJWQKXCX-UHFFFAOYSA-N	-2	0	253.218	-1.179	20	50		CAGDRL
CN(C)CC(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC001593691869	954043353	/nfs/dbraw/zinc/04/33/53/954043353.db2.gz	DDDSJNNGNOBGEW-UHFFFAOYSA-N	-2	0	267.245	-1.503	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)[C@]2(C(=O)[O-])CCCO2)nn1	ZINC001594530410	955527358	/nfs/dbraw/zinc/52/73/58/955527358.db2.gz	RPPQOLWTPMTWKZ-JTQLQIEISA-N	-2	0	283.244	-1.790	20	50		CAGDRL
C[C@H](CNC(=O)N[N-]C(=O)c1cn(C)nn1)C(=O)[O-]	ZINC001589057186	955707923	/nfs/dbraw/zinc/70/79/23/955707923.db2.gz	ZHNZLFHZKFTTPE-RXMQYKEDSA-N	-2	0	270.249	-1.520	20	50		CAGDRL
Cn1cccc1C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001594551761	955734291	/nfs/dbraw/zinc/73/42/91/955734291.db2.gz	WUHGFPUFQZHMEE-UHFFFAOYSA-N	-2	0	292.255	-1.224	20	50		CAGDRL
CO[C@@H](C(=O)[O-])C(=O)NNc1nnc(C)c(=O)[n-]1	ZINC001593911016	955964102	/nfs/dbraw/zinc/96/41/02/955964102.db2.gz	FUDSLAWOEFVLGN-SCSAIBSYSA-N	-2	0	257.206	-1.572	20	50		CAGDRL
CO[C@@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1ncccn1	ZINC001593926100	956128803	/nfs/dbraw/zinc/12/88/03/956128803.db2.gz	BPFZOUSNWGPYOP-SNVBAGLBSA-N	-2	0	268.229	-1.273	20	50		CAGDRL
CO[C@](C)(C(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001593926252	956129400	/nfs/dbraw/zinc/12/94/00/956129400.db2.gz	FGXMSBFWNUTFJM-VIFPVBQESA-N	-2	0	271.233	-1.934	20	50		CAGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)c2ccc[nH]2)nn1	ZINC001574743894	957696971	/nfs/dbraw/zinc/69/69/71/957696971.db2.gz	VTCRJILBPIXBAG-UHFFFAOYSA-N	-2	0	278.228	-1.234	20	50		CAGDRL
O=C(N[N-]C(=O)c1ncon1)N[C@H]1C[C@H](C(=O)[O-])C1	ZINC001574819647	957901838	/nfs/dbraw/zinc/90/18/38/957901838.db2.gz	QDWJSYOMCNZBCL-URHBZAFASA-N	-2	0	269.217	-1.123	20	50		CAGDRL
C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001594228041	959448200	/nfs/dbraw/zinc/44/82/00/959448200.db2.gz	CFMZGWMNWXDIFJ-FWOIEVBISA-N	-2	0	267.245	-1.313	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)NC[C@@H](C)C(=O)[O-])nnn1C	ZINC001594256555	959651855	/nfs/dbraw/zinc/65/18/55/959651855.db2.gz	BVNFMTILJOSWHO-RXMQYKEDSA-N	-2	0	284.276	-1.212	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)C(C)(C)C(=O)[O-])nnn1C	ZINC001594256661	959653971	/nfs/dbraw/zinc/65/39/71/959653971.db2.gz	IPZSTXYJDIZOEY-UHFFFAOYSA-N	-2	0	269.261	-1.005	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)[C@@H](C(=O)[O-])C2CC2)nnn1C	ZINC001594256803	959657330	/nfs/dbraw/zinc/65/73/30/959657330.db2.gz	NKSBPNDYSXMZQT-ZETCQYMHSA-N	-2	0	281.272	-1.005	20	50		CAGDRL
C[C@@H]1OCC[C@@H]1C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573756903	960561514	/nfs/dbraw/zinc/56/15/14/960561514.db2.gz	DBOQFZGTKKFZNZ-BQBZGAKWSA-N	-2	0	297.271	-1.451	20	50		CAGDRL
CC(C)(O)C(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC001588795837	961392338	/nfs/dbraw/zinc/39/23/38/961392338.db2.gz	LSEXURMIHSERTM-UHFFFAOYSA-N	-2	0	268.229	-1.293	20	50		CAGDRL
O=C([O-])[C@]1(C(=O)N[N-]C(=O)c2cccnn2)CCCO1	ZINC001574578691	962091514	/nfs/dbraw/zinc/09/15/14/962091514.db2.gz	LCMQPYPTGVYYQG-LLVKDONJSA-N	-2	0	280.240	-1.129	20	50		CAGDRL
O=C([O-])[C@@]1(C(=O)N[N-]C(=O)c2cccnn2)CCCO1	ZINC001574578692	962092005	/nfs/dbraw/zinc/09/20/05/962092005.db2.gz	LCMQPYPTGVYYQG-NSHDSACASA-N	-2	0	280.240	-1.129	20	50		CAGDRL
CC(C)NC(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001588925394	962423309	/nfs/dbraw/zinc/42/33/09/962423309.db2.gz	LVHZJXFOEARXLY-UHFFFAOYSA-N	-2	0	270.249	-1.285	20	50		CAGDRL
O=C([O-])C1=NO[C@@H](C(=O)N[N-]C(=O)c2ncccn2)C1	ZINC001605969965	972972823	/nfs/dbraw/zinc/97/28/23/972972823.db2.gz	IAAJPTYTXHYWKO-ZCFIWIBFSA-N	-2	0	279.212	-1.533	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)CSCC(=O)[O-])nn1	ZINC001605481289	973598990	/nfs/dbraw/zinc/59/89/90/973598990.db2.gz	QAAFBVZXGBRPAG-UHFFFAOYSA-N	-2	0	273.274	-1.606	20	50		CAGDRL
CN(CCCC(=O)N[N-]C(=O)c1cn[nH]n1)C(=O)[O-]	ZINC000737427843	978408823	/nfs/dbraw/zinc/40/88/23/978408823.db2.gz	ZPQVHAUNEQOIFX-UHFFFAOYSA-N	-2	0	270.249	-1.044	20	50		CAGDRL
COC(=O)N[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC000737641258	978426018	/nfs/dbraw/zinc/42/60/18/978426018.db2.gz	AVFDNEQKHLSETP-UHFFFAOYSA-N	-2	0	278.246	-1.034	20	50		CAGDRL
O=C([O-])c1cccc(C(=O)N[N-]C(=O)c2cn[nH]n2)n1	ZINC000740214826	978672759	/nfs/dbraw/zinc/67/27/59/978672759.db2.gz	MHUVGSUHRCUBLX-UHFFFAOYSA-N	-2	0	276.212	-1.027	20	50		CAGDRL
CC[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001594755174	981663966	/nfs/dbraw/zinc/66/39/66/981663966.db2.gz	DJULLIFVNMGKQI-RXMQYKEDSA-N	-2	0	255.234	-1.313	20	50		CAGDRL
CCNC(=O)N[N-]S(=O)(=O)c1cnn(CC(=O)[O-])c1	ZINC001596470802	984194285	/nfs/dbraw/zinc/19/42/85/984194285.db2.gz	ILKSYZQBQXYRIP-UHFFFAOYSA-N	-2	0	291.289	-1.520	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nnn1C	ZINC001599981799	986173907	/nfs/dbraw/zinc/17/39/07/986173907.db2.gz	CZFJBKMJQDNBMS-LJGSYFOKSA-N	-2	0	296.287	-1.069	20	50		CAGDRL
CS(=O)(=O)CC(=O)N[N-]C(=O)c1ccc(C(=O)[O-])o1	ZINC001599747078	991942708	/nfs/dbraw/zinc/94/27/08/991942708.db2.gz	CBUJPJXCUGSEDK-UHFFFAOYSA-N	-2	0	290.253	-1.217	20	50		CAGDRL
CN1CCN(C(=O)N[N-]C(=O)c2cc(C(=O)[O-])no2)CC1	ZINC001598611039	993772869	/nfs/dbraw/zinc/77/28/69/993772869.db2.gz	UOWQDZOBYBVOBF-UHFFFAOYSA-N	-2	0	297.271	-1.025	20	50		CAGDRL
COCCOCC(=O)N[N-]C(=O)c1cnc(C(=O)[O-])cn1	ZINC001599246683	998157078	/nfs/dbraw/zinc/15/70/78/998157078.db2.gz	CPXOXUYVTHSISK-UHFFFAOYSA-N	-2	0	298.255	-1.401	20	50		CAGDRL
O=C([O-])c1cccc(C(=O)[N-]NC(=O)[C@H]2COCCO2)n1	ZINC000833328482	601097770	/nfs/dbraw/zinc/09/77/70/601097770.db2.gz	PRTZVCLGMDHZQU-SECBINFHSA-N	-2	0	295.251	-1.044	20	50		CAGDRL
C[C@H](CC(=O)N[N-]C(=O)c1cn[nH]n1)NC(=O)[O-]	ZINC000824670958	602862998	/nfs/dbraw/zinc/86/29/98/602862998.db2.gz	CDACNGWCUMJFAP-SCSAIBSYSA-N	-2	0	256.222	-1.388	20	50		CAGDRL
O=C([O-])N(CC(=O)N[N-]C(=O)c1cn[nH]n1)CC1CC1	ZINC000831463986	602864703	/nfs/dbraw/zinc/86/47/03/602864703.db2.gz	IQOPPXJBASILTA-UHFFFAOYSA-N	-2	0	282.260	-1.044	20	50		CAGDRL
CC(C)(CNC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000823965233	603659753	/nfs/dbraw/zinc/65/97/53/603659753.db2.gz	UNXZIXSKHXAQGQ-UHFFFAOYSA-N	-2	0	270.249	-1.141	20	50		CAGDRL
O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000831736815	603759090	/nfs/dbraw/zinc/75/90/90/603759090.db2.gz	VXFCWTWSQFPYLO-INEUFUBQSA-N	-2	0	284.232	-2.321	20	50		CAGDRL
O=C([O-])N1CC[C@](F)(C(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831736670	603882898	/nfs/dbraw/zinc/88/28/98/603882898.db2.gz	RZRSZSPHRMAZPJ-SECBINFHSA-N	-2	0	286.223	-1.342	20	50		CAGDRL
C[C@]1(C(=O)N[N-]C(=O)c2cn[nH]n2)CCN(C(=O)[O-])C1	ZINC000825673946	603927997	/nfs/dbraw/zinc/92/79/97/603927997.db2.gz	VUNZBYUMAZNSSJ-JTQLQIEISA-N	-2	0	282.260	-1.044	20	50		CAGDRL
O=C([O-])N1CCO[C@H](CC(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831387702	604839737	/nfs/dbraw/zinc/83/97/37/604839737.db2.gz	NWYRSQCWNMLHGC-ZCFIWIBFSA-N	-2	0	298.259	-1.665	20	50		CAGDRL
Cc1nnc(NNC(=O)[C@H]2CN(C(=O)[O-])CCO2)[n-]c1=O	ZINC000830887882	605250380	/nfs/dbraw/zinc/25/03/80/605250380.db2.gz	VWWKTGPUUAUKLB-ZCFIWIBFSA-N	-2	0	298.259	-1.292	20	50		CAGDRL
O=C([O-])NCC(=O)NCC(=O)N[N-]C(=O)c1ccccn1	ZINC000834198686	605362293	/nfs/dbraw/zinc/36/22/93/605362293.db2.gz	MEWLVJGCJKPGRN-UHFFFAOYSA-N	-2	0	295.255	-1.774	20	50		CAGDRL
Cn1nccc1S(=O)(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833962848	605390943	/nfs/dbraw/zinc/39/09/43/605390943.db2.gz	FTOVOJVHODUATE-UHFFFAOYSA-N	-2	0	277.262	-2.003	20	50		CAGDRL
N#Cc1ccc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])cn1	ZINC000833977851	605393597	/nfs/dbraw/zinc/39/35/97/605393597.db2.gz	ZVWOHYPVTQWKER-UHFFFAOYSA-N	-2	0	299.268	-1.470	20	50		CAGDRL
Cn1cc([N+](=O)[O-])c(C(=O)[N-]NC(=O)CNC(=O)[O-])n1	ZINC000833950511	605456609	/nfs/dbraw/zinc/45/66/09/605456609.db2.gz	KJHDGCWVHOPEER-UHFFFAOYSA-N	-2	0	286.204	-1.643	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000834202906	605463779	/nfs/dbraw/zinc/46/37/79/605463779.db2.gz	GZCRTFRRBIRQJC-UHFFFAOYSA-N	-2	0	272.177	-1.654	20	50		CAGDRL
Cn1cnc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])c1	ZINC000833954323	605472362	/nfs/dbraw/zinc/47/23/62/605472362.db2.gz	NHHIMLMDVRYSCS-UHFFFAOYSA-N	-2	0	270.249	-1.368	20	50		CAGDRL
Cc1cc(C(=O)[N-]NC(=O)NCCNC(=O)[O-])ncn1	ZINC000833897764	605472470	/nfs/dbraw/zinc/47/24/70/605472470.db2.gz	GAZYWBULHYXKKY-UHFFFAOYSA-N	-2	0	282.260	-1.003	20	50		CAGDRL
NC(=O)C[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccccn1	ZINC000833983745	605666101	/nfs/dbraw/zinc/66/61/01/605666101.db2.gz	XLZATJIMGJLHHW-ZETCQYMHSA-N	-2	0	295.255	-1.646	20	50		CAGDRL
NC(=O)C[C@@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1ccccn1	ZINC000833983744	605666159	/nfs/dbraw/zinc/66/61/59/605666159.db2.gz	XLZATJIMGJLHHW-SSDOTTSWSA-N	-2	0	295.255	-1.646	20	50		CAGDRL
CN(C)c1cnc(C(=O)[N-]NC(=O)CNC(=O)[O-])cn1	ZINC000833870459	605735895	/nfs/dbraw/zinc/73/58/95/605735895.db2.gz	CLLLWKIRFRLQJB-UHFFFAOYSA-N	-2	0	282.260	-1.429	20	50		CAGDRL
O=C([O-])N[C@H](CC(F)F)C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000834137080	606038870	/nfs/dbraw/zinc/03/88/70/606038870.db2.gz	ZCYMVQXKHJIVAT-GSVOUGTGSA-N	-2	0	292.202	-1.143	20	50		CAGDRL
O=C([O-])Cn1cc(C(=O)[N-]NC(=O)NCC2CC2)nn1	ZINC001595143752	952103796	/nfs/dbraw/zinc/10/37/96/952103796.db2.gz	ULKSJOHSHZZESN-UHFFFAOYSA-N	-2	0	282.260	-1.283	20	50		CAGDRL
CC(C)C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001602959085	971940317	/nfs/dbraw/zinc/94/03/17/971940317.db2.gz	FZQXGMWJQCTPCI-UHFFFAOYSA-N	-2	0	255.234	-1.220	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])nn1	ZINC001594530230	955522534	/nfs/dbraw/zinc/52/25/34/955522534.db2.gz	GNGRSCLBPTXYIJ-PHDIDXHHSA-N	-2	0	267.245	-1.313	20	50		CAGDRL
C[C@@H](CNC(=O)N[N-]C(=O)c1cn(C)nn1)C(=O)[O-]	ZINC001589057190	955707928	/nfs/dbraw/zinc/70/79/28/955707928.db2.gz	ZHNZLFHZKFTTPE-YFKPBYRVSA-N	-2	0	270.249	-1.520	20	50		CAGDRL
Cn1nc(C(=O)[O-])cc1C(=O)N[N-]C(=O)c1ncccn1	ZINC001594569541	955866663	/nfs/dbraw/zinc/86/66/63/955866663.db2.gz	YSILBWBQAZNLJP-UHFFFAOYSA-N	-2	0	290.239	-1.017	20	50		CAGDRL
CO[C@@H](C(=O)[O-])C(=O)N[N-]C(=O)c1ncccn1	ZINC001593911912	955974025	/nfs/dbraw/zinc/97/40/25/955974025.db2.gz	UGMRVINOICBRDM-RXMQYKEDSA-N	-2	0	254.202	-1.663	20	50		CAGDRL
Cc1c(C(=O)[N-]NC(=O)NC[C@H](C)C(=O)[O-])nnn1C	ZINC001594256556	959651886	/nfs/dbraw/zinc/65/18/86/959651886.db2.gz	BVNFMTILJOSWHO-YFKPBYRVSA-N	-2	0	284.276	-1.212	20	50		CAGDRL
C[C@H]1OCC[C@@H]1C(=O)N[N-]C(=O)c1cn(CC(=O)[O-])nn1	ZINC001573756909	960561449	/nfs/dbraw/zinc/56/14/49/960561449.db2.gz	DBOQFZGTKKFZNZ-RQJHMYQMSA-N	-2	0	297.271	-1.451	20	50		CAGDRL
O=C([O-])COCC(=O)N[N-]C(=O)c1cccnn1	ZINC001595106882	970297394	/nfs/dbraw/zinc/29/73/94/970297394.db2.gz	APKLHEFAZXWRPD-UHFFFAOYSA-N	-2	0	254.202	-1.661	20	50		CAGDRL
O=C([O-])CC[C@H]1C[C@@H](C(=O)N[N-]C(=O)c2cn[nH]n2)CO1	ZINC001606111971	973327995	/nfs/dbraw/zinc/32/79/95/973327995.db2.gz	QZDWZHWABGWWRS-RQJHMYQMSA-N	-2	0	297.271	-1.164	20	50		CAGDRL
O=C([O-])CC[C@@H]1C[C@H](C(=O)N[N-]C(=O)c2cn[nH]n2)CO1	ZINC001606111969	973328630	/nfs/dbraw/zinc/32/86/30/973328630.db2.gz	QZDWZHWABGWWRS-NKWVEPMBSA-N	-2	0	297.271	-1.164	20	50		CAGDRL
O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[N-]C(=O)c2cn[nH]n2)CO1	ZINC001606111970	973328831	/nfs/dbraw/zinc/32/88/31/973328831.db2.gz	QZDWZHWABGWWRS-RNFRBKRXSA-N	-2	0	297.271	-1.164	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)NCCCC(=O)[O-])nn1	ZINC001605481059	973596263	/nfs/dbraw/zinc/59/62/63/973596263.db2.gz	HYWDMMYLQWLMHU-UHFFFAOYSA-N	-2	0	270.249	-1.376	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)N2CCO[C@H](C(=O)[O-])C2)nn1	ZINC001605481332	973599943	/nfs/dbraw/zinc/59/99/43/973599943.db2.gz	RRJKYVBTMLILKU-ZETCQYMHSA-N	-2	0	298.259	-2.045	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)nn1	ZINC001605481377	973599951	/nfs/dbraw/zinc/59/99/51/973599951.db2.gz	WQFKLGKFQAMSDP-OLQVQODUSA-N	-2	0	282.260	-1.378	20	50		CAGDRL
Cn1cc(C(=O)[N-]NC(=O)N2CCO[C@@H](C(=O)[O-])C2)nn1	ZINC001605481331	973600000	/nfs/dbraw/zinc/60/00/00/973600000.db2.gz	RRJKYVBTMLILKU-SSDOTTSWSA-N	-2	0	298.259	-2.045	20	50		CAGDRL
O=C([O-])COCC(=O)N[N-]C(=O)c1cnsn1	ZINC001606272838	973646434	/nfs/dbraw/zinc/64/64/34/973646434.db2.gz	JRRXDBOXJMNKME-UHFFFAOYSA-N	-2	0	260.231	-1.600	20	50		CAGDRL
C[C@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001592360461	977848990	/nfs/dbraw/zinc/84/89/90/977848990.db2.gz	ZIRRMESJMHOWAU-YFKPBYRVSA-N	-2	0	255.234	-1.313	20	50		CAGDRL
CC(C)[C@H](NC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000736377313	978328386	/nfs/dbraw/zinc/32/83/86/978328386.db2.gz	ZHWMBCXEAMXQBK-LURJTMIESA-N	-2	0	270.249	-1.142	20	50		CAGDRL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]NC(=O)[O-]	ZINC000737652353	978426920	/nfs/dbraw/zinc/42/69/20/978426920.db2.gz	WIKNKKOWBFNYNB-UHFFFAOYSA-N	-2	0	278.246	-1.034	20	50		CAGDRL
O=C([O-])CSCCC(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000739846269	978656632	/nfs/dbraw/zinc/65/66/32/978656632.db2.gz	MFKHUNWUMJRTMY-UHFFFAOYSA-N	-2	0	273.274	-1.226	20	50		CAGDRL
O=C([O-])NCCCC(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000739956652	978660364	/nfs/dbraw/zinc/66/03/64/978660364.db2.gz	JTGGCGHRFXXVQZ-UHFFFAOYSA-N	-2	0	256.222	-1.387	20	50		CAGDRL
CC[C@H](C(=O)[O-])C(=O)N[N-]C(=O)c1cn(C)nn1	ZINC001594755176	981664011	/nfs/dbraw/zinc/66/40/11/981664011.db2.gz	DJULLIFVNMGKQI-YFKPBYRVSA-N	-2	0	255.234	-1.313	20	50		CAGDRL
COC(=O)N(C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001598875507	996760418	/nfs/dbraw/zinc/76/04/18/996760418.db2.gz	GWQHVMHEJMYYOX-UHFFFAOYSA-N	-2	0	278.246	-1.001	20	50		CAGDRL
CNC(=O)N[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1	ZINC000831000709	600814055	/nfs/dbraw/zinc/81/40/55/600814055.db2.gz	LHSWLRCGYBTVCR-UHFFFAOYSA-N	-2	0	276.274	-1.154	20	50		CAGDRL
O=C([O-])c1cn(CC(=O)N[N-]C(=O)c2ccccn2)nn1	ZINC000833120722	601272853	/nfs/dbraw/zinc/27/28/53/601272853.db2.gz	ARAROPYJEYJUAV-UHFFFAOYSA-N	-2	0	290.239	-1.168	20	50		CAGDRL
C[C@@H](CC(=O)N[N-]C(=O)c1cn[nH]n1)NC(=O)[O-]	ZINC000824670957	602863031	/nfs/dbraw/zinc/86/30/31/602863031.db2.gz	CDACNGWCUMJFAP-BYPYZUCNSA-N	-2	0	256.222	-1.388	20	50		CAGDRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[N-]C(=O)c1ccccn1	ZINC000831737002	603629564	/nfs/dbraw/zinc/62/95/64/603629564.db2.gz	ZWHQILALDCDOQB-APPZFPTMSA-N	-2	0	294.267	-1.044	20	50		CAGDRL
O=C([O-])N1CC(CC(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831366596	603758841	/nfs/dbraw/zinc/75/88/41/603758841.db2.gz	PMWQEDGEQUOJOM-UHFFFAOYSA-N	-2	0	268.233	-1.434	20	50		CAGDRL
O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000831736818	603758929	/nfs/dbraw/zinc/75/89/29/603758929.db2.gz	VXFCWTWSQFPYLO-XINAWCOVSA-N	-2	0	284.232	-2.321	20	50		CAGDRL
Cc1nonc1C(=O)[N-]NC(=O)NCCNC(=O)[O-]	ZINC000830929648	603803541	/nfs/dbraw/zinc/80/35/41/603803541.db2.gz	HKJOGCKAMFCQAX-UHFFFAOYSA-N	-2	0	272.221	-1.410	20	50		CAGDRL
O=C([O-])N1CC[C@@](F)(C(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831736671	603882857	/nfs/dbraw/zinc/88/28/57/603882857.db2.gz	RZRSZSPHRMAZPJ-VIFPVBQESA-N	-2	0	286.223	-1.342	20	50		CAGDRL
C[C@H](CN(C)C(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000824869320	604154928	/nfs/dbraw/zinc/15/49/28/604154928.db2.gz	WFQZFYBRBXYUMZ-RXMQYKEDSA-N	-2	0	270.249	-1.188	20	50		CAGDRL
O=C([O-])N1CCO[C@@H](CC(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831387701	604839854	/nfs/dbraw/zinc/83/98/54/604839854.db2.gz	NWYRSQCWNMLHGC-LURJTMIESA-N	-2	0	298.259	-1.665	20	50		CAGDRL
O=C([O-])N1CCO[C@H](C(=O)N[N-]C(=O)c2cn[nH]n2)C1	ZINC000831736468	604840042	/nfs/dbraw/zinc/84/00/42/604840042.db2.gz	MNZHAVHVLKITIW-LURJTMIESA-N	-2	0	284.232	-2.056	20	50		CAGDRL
Cc1noc(C)c1S(=O)(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833933137	605390842	/nfs/dbraw/zinc/39/08/42/605390842.db2.gz	VXAXWDUTHVALGD-UHFFFAOYSA-N	-2	0	292.273	-1.131	20	50		CAGDRL
Cn1cc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])cn1	ZINC000833950360	605391530	/nfs/dbraw/zinc/39/15/30/605391530.db2.gz	HETIAYBCODDHJJ-UHFFFAOYSA-N	-2	0	277.262	-2.003	20	50		CAGDRL
Cc1nc(S(=O)(=O)[N-]NC(=O)CNC(=O)[O-])cn1C	ZINC000833917294	605391638	/nfs/dbraw/zinc/39/16/38/605391638.db2.gz	WPSIEERTVGDSQK-UHFFFAOYSA-N	-2	0	291.289	-1.694	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]S(=O)(=O)c1cncc(F)c1	ZINC000834203895	605393085	/nfs/dbraw/zinc/39/30/85/605393085.db2.gz	KDWKFQPIUNWVJY-UHFFFAOYSA-N	-2	0	292.248	-1.202	20	50		CAGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])ncn1	ZINC000833897664	605455424	/nfs/dbraw/zinc/45/54/24/605455424.db2.gz	DDDCINCHFYDIFB-UHFFFAOYSA-N	-2	0	253.218	-1.186	20	50		CAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1nccn2ccnc12	ZINC000834203185	605455494	/nfs/dbraw/zinc/45/54/94/605455494.db2.gz	MYEUTQXEEZHMPT-UHFFFAOYSA-N	-2	0	278.228	-1.242	20	50		CAGDRL
Cc1cc(C(=O)[N-]NC(=O)CNC(=O)[O-])nn1C	ZINC000833897914	605455790	/nfs/dbraw/zinc/45/57/90/605455790.db2.gz	HOUWSQUKJASSIW-UHFFFAOYSA-N	-2	0	255.234	-1.243	20	50		CAGDRL
Cn1ncc([N+](=O)[O-])c1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833962442	605472820	/nfs/dbraw/zinc/47/28/20/605472820.db2.gz	UQMBZECKFPCFIJ-UHFFFAOYSA-N	-2	0	286.204	-1.643	20	50		CAGDRL
O=C([O-])NCC(=O)NNC(=O)c1cncc(O)c1	ZINC000834202791	605488328	/nfs/dbraw/zinc/48/83/28/605488328.db2.gz	BLMCPBGJVRMWNN-UHFFFAOYSA-N	-2	0	254.202	-1.184	20	50		CAGDRL
O=C([O-])Cn1cc(C=NNC(=O)CCNC(=O)[O-])nn1	ZINC000834069590	605748584	/nfs/dbraw/zinc/74/85/84/605748584.db2.gz	UFVHMJPVKUUXAY-UHFFFAOYSA-N	-2	0	284.232	-1.530	20	50		CAGDRL
O=C([O-])NCCCC(=O)N[N-]S(=O)(=O)c1c[nH]cn1	ZINC000834232602	605805305	/nfs/dbraw/zinc/80/53/05/605805305.db2.gz	UMHLTAQUFQKTPA-UHFFFAOYSA-N	-2	0	291.289	-1.233	20	50		CAGDRL
O=C([O-])NCCC(=O)N[N-]C(=O)c1cnsn1	ZINC000834228558	605843223	/nfs/dbraw/zinc/84/32/23/605843223.db2.gz	LLCAQULFDWOGDY-UHFFFAOYSA-N	-2	0	259.247	-1.043	20	50		CAGDRL
O=C([O-])N[C@@H](CC(F)F)C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000834137081	606038669	/nfs/dbraw/zinc/03/86/69/606038669.db2.gz	ZCYMVQXKHJIVAT-VKHMYHEASA-N	-2	0	292.202	-1.143	20	50		CAGDRL
O=C([O-])Nc1cnc(C(=O)N[N-]C(=O)c2cn[nH]n2)cn1	ZINC000834276886	606055802	/nfs/dbraw/zinc/05/58/02/606055802.db2.gz	MSUAETPUEJVCMU-UHFFFAOYSA-N	-2	0	292.215	-1.241	20	50		CAGDRL