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](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)c1cccnc1	ZINC000155766645	186110660	/nfs/dbraw/zinc/11/06/60/186110660.db2.gz	UGULIZOGGWKQMQ-LLVKDONJSA-N	-1	1	324.302	3.452	10	0		DGAEMM
CC[C@H](C)Oc1cc(=O)[n-]c(Sc2ccc(OC)cc2)n1	ZINC000005885355	181292858	/nfs/dbraw/zinc/29/28/58/181292858.db2.gz	QOKPKLLNWDSGKL-JTQLQIEISA-N	-1	1	306.387	3.107	10	0		DGAEMM
O=C(c1ccc([O-])cc1F)N1CCCC[C@H]1c1nccs1	ZINC000181242323	432120833	/nfs/dbraw/zinc/12/08/33/432120833.db2.gz	CFDROYVWOMPSAB-ZDUSSCGKSA-N	-1	1	306.362	3.355	10	0		DGAEMM
C[C@H](Oc1cccc(Br)c1)c1n[n-]c(=S)n1C	ZINC000064872146	184305235	/nfs/dbraw/zinc/30/52/35/184305235.db2.gz	TWGANQPJTSQULL-ZETCQYMHSA-N	-1	1	314.208	3.380	10	0		DGAEMM
CCOC(=O)c1cnc(NC(=O)CC/C=C/c2ccccc2)[n-]1	ZINC000585681448	400131486	/nfs/dbraw/zinc/13/14/86/400131486.db2.gz	BUFONBFSDKMTOK-UXBLZVDNSA-N	-1	1	313.357	3.019	10	0		DGAEMM
CCOC(=O)c1c[n-]c(NC(=O)CC/C=C/c2ccccc2)n1	ZINC000585681448	400131492	/nfs/dbraw/zinc/13/14/92/400131492.db2.gz	BUFONBFSDKMTOK-UXBLZVDNSA-N	-1	1	313.357	3.019	10	0		DGAEMM
CC[C@H]1CCc2c(sc3nc(-c4ccon4)[n-]c(=O)c23)C1	ZINC000074797450	400537575	/nfs/dbraw/zinc/53/75/75/400537575.db2.gz	HOCRBOITXDMHHA-QMMMGPOBSA-N	-1	1	301.371	3.155	10	0		DGAEMM
Cc1ccn(-c2ccccc2NC(=O)c2ccc([O-])cc2F)n1	ZINC000182036822	432156204	/nfs/dbraw/zinc/15/62/04/432156204.db2.gz	QUEUVNHDDQQVGJ-UHFFFAOYSA-N	-1	1	311.316	3.278	10	0		DGAEMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC(=O)Nc2ccccc21	ZINC000129624714	196063250	/nfs/dbraw/zinc/06/32/50/196063250.db2.gz	OFUSKNXPNJPZJX-NSHDSACASA-N	-1	1	316.744	3.110	10	0		DGAEMM
O=C(N[C@H](c1ccccc1)c1ccncc1)c1cc(F)ccc1[O-]	ZINC000094106173	431919722	/nfs/dbraw/zinc/91/97/22/431919722.db2.gz	VFIFZRWNIYUWBB-GOSISDBHSA-N	-1	1	322.339	3.446	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1cccc(F)c1	ZINC000175388240	432430508	/nfs/dbraw/zinc/43/05/08/432430508.db2.gz	GSTOBCFJCSOCCK-MEDUHNTESA-N	-1	1	300.333	3.150	10	0		DGAEMM
COc1ccc2c(c1)CCN2C(=O)c1cc(-c2ccc(C)o2)n[nH]1	ZINC000194958863	432588742	/nfs/dbraw/zinc/58/87/42/432588742.db2.gz	ZIWUMDXHBBHNCY-UHFFFAOYSA-N	-1	1	323.352	3.190	10	0		DGAEMM
CCc1cc(=O)[n-]c(SCc2cc(F)cc3cccnc32)n1	ZINC000195068246	432601136	/nfs/dbraw/zinc/60/11/36/432601136.db2.gz	LGUHGHWDKFQHEQ-UHFFFAOYSA-N	-1	1	315.373	3.312	10	0		DGAEMM
CC(=O)c1ccc(O)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1	ZINC000436999859	434198843	/nfs/dbraw/zinc/19/88/43/434198843.db2.gz	SBZNOFOMTDFHMQ-UHFFFAOYSA-N	-1	1	323.707	3.345	10	0		DGAEMM
Cc1cnc(C(=O)N2CCCCC[C@H]2c2cccn2C)c([O-])c1	ZINC000408228834	302331184	/nfs/dbraw/zinc/33/11/84/302331184.db2.gz	JWYVJAGWLJOWBM-HNNXBMFYSA-N	-1	1	313.401	3.192	10	0		DGAEMM
c1ccc2c(c1)CCC[C@H]2c1ccc(OCc2nn[n-]n2)cc1	ZINC000584625374	337375507	/nfs/dbraw/zinc/37/55/07/337375507.db2.gz	LOQQOIVQZLWHFE-KRWDZBQOSA-N	-1	1	306.369	3.247	10	0		DGAEMM
Cc1ccc2oc(SCCC[N-]C(=O)C(F)(F)F)nc2c1	ZINC000151778246	620473024	/nfs/dbraw/zinc/47/30/24/620473024.db2.gz	MIBIDTNKXKNTAL-UHFFFAOYSA-N	-1	1	318.320	3.297	10	0		DGAEMM
CCOc1ncccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1	ZINC000255065269	655589122	/nfs/dbraw/zinc/58/91/22/655589122.db2.gz	QSAJZFPBEUYSFI-LUAWRHEFSA-N	-1	1	322.361	3.032	10	0		DGAEMM
CN(Cc1ccc(Cl)nc1)C(=O)c1cc(Cl)ccc1[O-]	ZINC000074292782	661261905	/nfs/dbraw/zinc/26/19/05/661261905.db2.gz	QDIYNPQGRCNSOI-UHFFFAOYSA-N	-1	1	311.168	3.366	10	0		DGAEMM
CC[C@]1(C(=O)[O-])CCCN(Cc2cc(F)c(F)c(F)c2)C1	ZINC000086784721	662219553	/nfs/dbraw/zinc/21/95/53/662219553.db2.gz	NTWAYWTWRFODHW-HNNXBMFYSA-N	-1	1	301.308	3.181	10	0		DGAEMM
C[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CCCC1	ZINC000226762421	1176564278	/nfs/dbraw/zinc/56/42/78/1176564278.db2.gz	BSAOUYRPMXGQPD-VIFPVBQESA-N	-1	1	312.207	3.463	10	0		DGAEMM
C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1ccc(Br)s1	ZINC000263107892	1204334605	/nfs/dbraw/zinc/33/46/05/1204334605.db2.gz	XWZDUKBNAYSBLX-PSASIEDQSA-N	-1	1	318.236	3.196	10	0		DGAEMM
CCc1cccc(S(=O)(=O)[N-]c2ccc3c(C)n[nH]c3c2)c1	ZINC000180357043	432084063	/nfs/dbraw/zinc/08/40/63/432084063.db2.gz	MFMSIFHYZMBKRN-UHFFFAOYSA-N	-1	1	315.398	3.235	10	0		DGAEMM
CCc1cccc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c1	ZINC000180357043	432084064	/nfs/dbraw/zinc/08/40/64/432084064.db2.gz	MFMSIFHYZMBKRN-UHFFFAOYSA-N	-1	1	315.398	3.235	10	0		DGAEMM
Cc1csc([C@@H]2CCCN(C(=O)c3ccc([O-])cc3F)C2)n1	ZINC000181242138	432120692	/nfs/dbraw/zinc/12/06/92/432120692.db2.gz	DOHJJAVPWPKAHZ-LLVKDONJSA-N	-1	1	320.389	3.316	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(C)[nH]nc3c2)c(C)s1	ZINC000093909120	193327757	/nfs/dbraw/zinc/32/77/57/193327757.db2.gz	FZVSRJXPXXNNCN-UHFFFAOYSA-N	-1	1	321.427	3.350	10	0		DGAEMM
O=C([O-])[C@@]12CCC[C@H]1CN(c1ccnc3cc(F)ccc31)C2	ZINC000263558419	304168732	/nfs/dbraw/zinc/16/87/32/304168732.db2.gz	PRDAUGKNFPWZBO-APPDUMDISA-N	-1	1	300.333	3.065	10	0		DGAEMM
CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccc(O)c2)cc1	ZINC000019733675	182139581	/nfs/dbraw/zinc/13/95/81/182139581.db2.gz	QZBKLNWWYSBLTQ-UHFFFAOYSA-N	-1	1	305.399	3.491	10	0		DGAEMM
Cc1cc(=O)[n-]c(SCc2cc(Br)cs2)n1	ZINC000043690685	183380996	/nfs/dbraw/zinc/38/09/96/183380996.db2.gz	YTXCEBLCEDVONK-UHFFFAOYSA-N	-1	1	317.233	3.195	10	0		DGAEMM
Cc1nc(C2CC2)oc1C(=O)[N-]c1nc(C(C)(C)C)ns1	ZINC000273770920	211043381	/nfs/dbraw/zinc/04/33/81/211043381.db2.gz	ZNKGCNWPSCZKKM-UHFFFAOYSA-N	-1	1	306.391	3.262	10	0		DGAEMM
O=C(c1ncccc1[O-])N(CCC(F)(F)F)Cc1ccccc1	ZINC000191947523	296305354	/nfs/dbraw/zinc/30/53/54/296305354.db2.gz	FCXLHILTEKLARQ-UHFFFAOYSA-N	-1	1	324.302	3.382	10	0		DGAEMM
CCOC(=O)C1=C([O-])c2cc(Cl)ccc2[C@@](C)(CC)C1=O	ZINC000116704469	400412006	/nfs/dbraw/zinc/41/20/06/400412006.db2.gz	GPYRQWIOODWJCK-MRXNPFEDSA-N	-1	1	308.761	3.423	10	0		DGAEMM
Cc1ccc(-c2ccc(/C=C3\NC(=S)[N-]C3=O)o2)cc1Cl	ZINC000013476820	431557601	/nfs/dbraw/zinc/55/76/01/431557601.db2.gz	VDDXLYMOOLIYRX-GHXNOFRVSA-N	-1	1	318.785	3.254	10	0		DGAEMM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(C)C)n[nH]1	ZINC000126161259	431943864	/nfs/dbraw/zinc/94/38/64/431943864.db2.gz	DMEVFMLKLTYZQC-UHFFFAOYSA-N	-1	1	313.810	3.296	10	0		DGAEMM
CCC(C)(C)[C@H]1CCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1	ZINC000156877004	432610148	/nfs/dbraw/zinc/61/01/48/432610148.db2.gz	UHUOPHMETRUVDQ-GFCCVEGCSA-N	-1	1	305.447	3.385	10	0		DGAEMM
COc1ccc(NC(=O)c2ccc(C(C)C)cc2[O-])cc1CO	ZINC000436597226	434031626	/nfs/dbraw/zinc/03/16/26/434031626.db2.gz	UIGBGJYRHKEPRC-UHFFFAOYSA-N	-1	1	315.369	3.269	10	0		DGAEMM
COC(=O)Cc1cc([O-])c(C(F)(F)F)c(C(F)(F)F)c1	ZINC000575340477	435030520	/nfs/dbraw/zinc/03/05/20/435030520.db2.gz	FLZCOHBXFGNCDS-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
COC(=O)Cc1cc(C(F)(F)F)c([O-])cc1C(F)(F)F	ZINC000575340437	435030624	/nfs/dbraw/zinc/03/06/24/435030624.db2.gz	BXQPHOZCNVDXFB-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
CCOC(=O)c1cc([O-])c(C(F)(F)F)cc1Br	ZINC000575699073	435046805	/nfs/dbraw/zinc/04/68/05/435046805.db2.gz	CMELAHIFKDRLKJ-UHFFFAOYSA-N	-1	1	313.069	3.350	10	0		DGAEMM
Cc1ccc(-c2noc(=N[C@H]3CN(C)Cc4ccccc43)[n-]2)cc1	ZINC000540905568	435625114	/nfs/dbraw/zinc/62/51/14/435625114.db2.gz	SGVBKOQWJGLIIP-KRWDZBQOSA-N	-1	1	320.396	3.066	10	0		DGAEMM
Cc1nc2c(Cl)cccc2c(N2CC[C@@H](C(=O)[O-])C2)c1C	ZINC000263491782	302646928	/nfs/dbraw/zinc/64/69/28/302646928.db2.gz	ISZYGXLNERILJC-LLVKDONJSA-N	-1	1	304.777	3.416	10	0		DGAEMM
O=c1nc(-c2cncs2)[n-]c2sc3c(c21)CCSC3	ZINC000530937594	313418420	/nfs/dbraw/zinc/41/84/20/313418420.db2.gz	SSHIFKJFWQRABK-UHFFFAOYSA-N	-1	1	307.425	3.310	10	0		DGAEMM
Cc1ccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)s1	ZINC000188146600	323422128	/nfs/dbraw/zinc/42/21/28/323422128.db2.gz	NYXRZZAZNBWMBK-UHFFFAOYSA-N	-1	1	306.412	3.405	10	0		DGAEMM
C[C@@H](NC(=O)C1CCC(c2ccccc2)CC1)c1cc(=O)[nH][n-]1	ZINC000898871936	619297010	/nfs/dbraw/zinc/29/70/10/619297010.db2.gz	QCOLJETYPDIXQA-LRVUVFPRSA-N	-1	1	313.401	3.267	10	0		DGAEMM
O=S(=O)(/C=C/c1ccccc1)[N-]c1cc(Cl)ccc1O	ZINC000150856600	620401176	/nfs/dbraw/zinc/40/11/76/620401176.db2.gz	TZFKULQCNHDISX-CMDGGOBGSA-N	-1	1	309.774	3.458	10	0		DGAEMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)C(C)C)cc1	ZINC000017056515	622238303	/nfs/dbraw/zinc/23/83/03/622238303.db2.gz	HXOSPSXPZGDZBN-GFCCVEGCSA-N	-1	1	318.446	3.077	10	0		DGAEMM
C=CCCC[C@@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000091120433	655762262	/nfs/dbraw/zinc/76/22/62/655762262.db2.gz	WTDFDSZFCXSGTF-LLVKDONJSA-N	-1	1	324.446	3.021	10	0		DGAEMM
CC(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1	ZINC000255558868	655799818	/nfs/dbraw/zinc/79/98/18/655799818.db2.gz	UXKWPBUZGBJDRW-FPLPWBNLSA-N	-1	1	309.366	3.085	10	0		DGAEMM
CC(C)(C)SCC(=O)Nc1nc(Br)ccc1[O-]	ZINC000156364077	655946499	/nfs/dbraw/zinc/94/64/99/655946499.db2.gz	YWUFPPRUMYFYRT-UHFFFAOYSA-N	-1	1	319.224	3.020	10	0		DGAEMM
O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1ccc(Cl)cn1	ZINC000178182758	655957374	/nfs/dbraw/zinc/95/73/74/655957374.db2.gz	BLEJJSIWRSCHQT-BQYQJAHWSA-N	-1	1	312.753	3.287	10	0		DGAEMM
CC(=O)c1ccc(NC(=O)c2cccc(O)c2[O-])cc1Cl	ZINC000193159557	662124980	/nfs/dbraw/zinc/12/49/80/662124980.db2.gz	RENNKFQBEJXRKS-UHFFFAOYSA-N	-1	1	305.717	3.206	10	0		DGAEMM
C[C@@]1(NC(=O)c2cc(Br)ccc2[O-])CC=CCC1	ZINC000398344508	1177018010	/nfs/dbraw/zinc/01/80/10/1177018010.db2.gz	SZYZFUDSGWLCDY-CQSZACIVSA-N	-1	1	310.191	3.383	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Br)ccc1[O-]	ZINC000403637623	1199512101	/nfs/dbraw/zinc/51/21/01/1199512101.db2.gz	OQAVZZXMOZWIIR-OUAUKWLOSA-N	-1	1	324.218	3.321	10	0		DGAEMM
CC(C)CN(CC(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000079407618	185169564	/nfs/dbraw/zinc/16/95/64/185169564.db2.gz	DLOFRPILARVLNJ-UHFFFAOYSA-N	-1	1	301.390	3.090	10	0		DGAEMM
O=c1[nH]nc(-c2ccc([O-])c(Br)c2)c2ccccc12	ZINC000090713732	185311162	/nfs/dbraw/zinc/31/11/62/185311162.db2.gz	NGCWPPVRPHPWRN-UHFFFAOYSA-N	-1	1	317.142	3.058	10	0		DGAEMM
Cc1ccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)cc1	ZINC000005155108	181211056	/nfs/dbraw/zinc/21/10/56/181211056.db2.gz	RXXPLHKAFYNZKQ-UHFFFAOYSA-N	-1	1	300.305	3.389	10	0		DGAEMM
CCCCc1c([O-])n(-c2ccccc2)n(-c2ccc(O)cc2)c1=O	ZINC000005554746	181256353	/nfs/dbraw/zinc/25/63/53/181256353.db2.gz	WNZMBSXOXDPLRO-UHFFFAOYSA-N	-1	1	324.380	3.382	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C)c3F)ccc12	ZINC000180522375	432088908	/nfs/dbraw/zinc/08/89/08/432088908.db2.gz	SRYOUGQTDZPTAP-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1F	ZINC000195085321	201337328	/nfs/dbraw/zinc/33/73/28/201337328.db2.gz	XSUZMWHIYBFQIU-UHFFFAOYSA-N	-1	1	304.346	3.174	10	0		DGAEMM
Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1	ZINC000459361605	243348708	/nfs/dbraw/zinc/34/87/08/243348708.db2.gz	PKUWTFQZVWDEQR-MRXNPFEDSA-N	-1	1	312.417	3.125	10	0		DGAEMM
C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000473902240	244354804	/nfs/dbraw/zinc/35/48/04/244354804.db2.gz	NWHZUCQRQKGVBV-RQJHMYQMSA-N	-1	1	312.193	3.067	10	0		DGAEMM
O=C(N[C@H]1CC2CCC1CC2)c1ccc(Br)c([O-])c1	ZINC000312032624	284165297	/nfs/dbraw/zinc/16/52/97/284165297.db2.gz	ODCCXXIYELIRJM-ZPPKWKGLSA-N	-1	1	324.218	3.463	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2cccc3ccccc32)[nH]n1	ZINC000126487712	284307026	/nfs/dbraw/zinc/30/70/26/284307026.db2.gz	VLARBAITKDKLDP-UHFFFAOYSA-N	-1	1	315.398	3.316	10	0		DGAEMM
CC1(C(=O)[O-])CCN(Cc2ccc(Br)s2)CC1	ZINC000062844416	184256024	/nfs/dbraw/zinc/25/60/24/184256024.db2.gz	WGPJAWTXSAGPKT-UHFFFAOYSA-N	-1	1	318.236	3.197	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)s1	ZINC000134706521	400581144	/nfs/dbraw/zinc/58/11/44/400581144.db2.gz	YOYMYYOKCWKPEQ-UHFFFAOYSA-N	-1	1	313.448	3.132	10	0		DGAEMM
CC(=O)NN=c1[n-]c(C)c(C(=O)C=Cc2ccc(C)cc2)s1	ZINC000048548146	400657626	/nfs/dbraw/zinc/65/76/26/400657626.db2.gz	VHMAWAPHSQOXDR-CMDGGOBGSA-N	-1	1	315.398	3.119	10	0		DGAEMM
CCN(CCc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000079403832	400864449	/nfs/dbraw/zinc/86/44/49/400864449.db2.gz	RFOFMSGQXFJEJY-UHFFFAOYSA-N	-1	1	321.380	3.040	10	0		DGAEMM
O=C(c1ccc(Br)c([O-])c1)N1CC(CC2CC2)C1	ZINC000622249236	401369830	/nfs/dbraw/zinc/36/98/30/401369830.db2.gz	WFVCKCPZQMDYGZ-UHFFFAOYSA-N	-1	1	310.191	3.027	10	0		DGAEMM
C[C@H](NC(=O)c1cncc([O-])c1)c1cccc(Br)c1	ZINC000108953117	431163121	/nfs/dbraw/zinc/16/31/21/431163121.db2.gz	KHNJXRHYOGUDSY-VIFPVBQESA-N	-1	1	321.174	3.041	10	0		DGAEMM
CCCC[C@@H]1CCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000069225165	431171300	/nfs/dbraw/zinc/17/13/00/431171300.db2.gz	ZFXYWHACLUOGJY-OCCSQVGLSA-N	-1	1	313.401	3.012	10	0		DGAEMM
C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H]1c1ccccc1	ZINC000075539419	431483064	/nfs/dbraw/zinc/48/30/64/431483064.db2.gz	UGKSWVBKRYUWOP-WBMJQRKESA-N	-1	1	319.364	3.169	10	0		DGAEMM
CC[C@@H](CC(=O)Nc1cc(-c2nccn2C)n[nH]1)c1ccccc1	ZINC000119545113	431704611	/nfs/dbraw/zinc/70/46/11/431704611.db2.gz	GZQLQBKIUMUOOM-ZDUSSCGKSA-N	-1	1	323.400	3.333	10	0		DGAEMM
O=C([O-])Cc1ccc2nc(Cc3ccc(Cl)cc3)[nH]c2c1	ZINC000033829376	431817581	/nfs/dbraw/zinc/81/75/81/431817581.db2.gz	XDBMGIQWLUKPJC-UHFFFAOYSA-N	-1	1	300.745	3.434	10	0		DGAEMM
CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCCC2	ZINC000091732914	431904951	/nfs/dbraw/zinc/90/49/51/431904951.db2.gz	IHSIFYHRYFRSFV-CVEARBPZSA-N	-1	1	321.392	3.341	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1cccc(F)c1	ZINC000153936605	432457857	/nfs/dbraw/zinc/45/78/57/432457857.db2.gz	AVCRSJMKFMWOOH-BDJLRTHQSA-N	-1	1	300.333	3.150	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc2cc[nH]c2c1	ZINC000194830824	281845240	/nfs/dbraw/zinc/84/52/40/281845240.db2.gz	WLIODBGSVWYFAM-UHFFFAOYSA-N	-1	1	324.384	3.109	10	0		DGAEMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccccc1	ZINC000188147417	432707736	/nfs/dbraw/zinc/70/77/36/432707736.db2.gz	YRKARGDCNZDBPG-JTQLQIEISA-N	-1	1	300.383	3.423	10	0		DGAEMM
COc1ccc(Cl)cc1CNC(=O)c1c([O-])cccc1F	ZINC000436944643	434178942	/nfs/dbraw/zinc/17/89/42/434178942.db2.gz	KUNJRNWUGSCIPZ-UHFFFAOYSA-N	-1	1	309.724	3.123	10	0		DGAEMM
O=C(Nc1nc(C2CCC2)n[nH]1)c1cc2ccccc2cc1O	ZINC000436958584	434183947	/nfs/dbraw/zinc/18/39/47/434183947.db2.gz	BJMPYPTWLDICBK-UHFFFAOYSA-N	-1	1	308.341	3.183	10	0		DGAEMM
CO[C@@H](C)c1nc(=N[C@H](C)CCOCc2ccccc2)s[n-]1	ZINC000340995204	434477338	/nfs/dbraw/zinc/47/73/38/434477338.db2.gz	MXIKOMZBEUYXCE-OLZOCXBDSA-N	-1	1	321.446	3.075	10	0		DGAEMM
CC(C)c1nc2c([nH]1)CC[C@H](C(=O)Nc1ccc(O)cc1F)C2	ZINC000527005851	295069944	/nfs/dbraw/zinc/06/99/44/295069944.db2.gz	BAEFSOOBLMRPCY-JTQLQIEISA-N	-1	1	317.364	3.121	10	0		DGAEMM
Cc1ccc([C@@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])o1	ZINC000408370544	434568678	/nfs/dbraw/zinc/56/86/78/434568678.db2.gz	MNHBUIIOXAASJO-ZDUSSCGKSA-N	-1	1	300.358	3.364	10	0		DGAEMM
CC(=O)c1cc([O-])c(C(F)F)cc1I	ZINC000575669771	435041771	/nfs/dbraw/zinc/04/17/71/435041771.db2.gz	NIKDULLJXRKYEI-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
[O-]c1c(I)ccc(F)c1OC(F)(F)F	ZINC000575707104	435049087	/nfs/dbraw/zinc/04/90/87/435049087.db2.gz	KNUIMRQFTILULT-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@H]1c1cccc(F)c1	ZINC000180111178	323221540	/nfs/dbraw/zinc/22/15/40/323221540.db2.gz	ZKAFJOSIPYLTNP-PIGZYNQJSA-N	-1	1	324.359	3.320	10	0		DGAEMM
CC(C)Oc1ccc(F)cc1NC(=O)c1ccc(O)cc1[O-]	ZINC000171250075	528172485	/nfs/dbraw/zinc/17/24/85/528172485.db2.gz	WAQYDGQVZGADGA-UHFFFAOYSA-N	-1	1	305.305	3.276	10	0		DGAEMM
CC(C)(C)OC(=O)Nc1snc(C(F)(F)F)c1C(=O)[O-]	ZINC000675076224	548149899	/nfs/dbraw/zinc/14/98/99/548149899.db2.gz	LHUNMOPRHNMDMO-UHFFFAOYSA-N	-1	1	312.269	3.207	10	0		DGAEMM
CC(C)[C@H](C(=O)N[C@H](C)c1cc(=O)[nH][n-]1)c1cccc(Cl)c1	ZINC000898871801	619296987	/nfs/dbraw/zinc/29/69/87/619296987.db2.gz	PHQDWOBYNVJHJR-BMIGLBTASA-N	-1	1	321.808	3.386	10	0		DGAEMM
O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cccc(Cl)n1	ZINC000186605778	660553327	/nfs/dbraw/zinc/55/33/27/660553327.db2.gz	YTNYVWNCXSWHGB-CMDGGOBGSA-N	-1	1	312.753	3.287	10	0		DGAEMM
O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cccc(F)n1	ZINC000162283471	656053979	/nfs/dbraw/zinc/05/39/79/656053979.db2.gz	LMMAUXCHUOKQTG-CMDGGOBGSA-N	-1	1	312.753	3.287	10	0		DGAEMM
C[C@H](C(=O)[O-])N(Cc1cc(F)ccc1Br)C1CC1	ZINC000263312488	658196972	/nfs/dbraw/zinc/19/69/72/658196972.db2.gz	GXTLDWSTAPNJFS-MRVPVSSYSA-N	-1	1	316.170	3.026	10	0		DGAEMM
COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000194577490	662169119	/nfs/dbraw/zinc/16/91/19/662169119.db2.gz	NOBLGAPVUURRTL-NWDGAFQWSA-N	-1	1	318.760	3.191	10	0		DGAEMM
COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000194577466	662169127	/nfs/dbraw/zinc/16/91/27/662169127.db2.gz	NOBLGAPVUURRTL-RYUDHWBXSA-N	-1	1	318.760	3.191	10	0		DGAEMM
O=C(NCCOCc1ccccc1)c1ccc2ccccc2c1[O-]	ZINC000390375288	1108671828	/nfs/dbraw/zinc/67/18/28/1108671828.db2.gz	PQENYWFOLCEZOX-UHFFFAOYSA-N	-1	1	321.376	3.492	10	0		DGAEMM
O=C([O-])[C@@H]1CCN(Cc2cc(Cl)ccc2Br)C1	ZINC000090252772	185288230	/nfs/dbraw/zinc/28/82/30/185288230.db2.gz	QPRVCRNYNGCQDF-MRVPVSSYSA-N	-1	1	318.598	3.009	10	0		DGAEMM
CCc1noc(C)c1[N-]C(=O)c1cc(F)c(F)c(F)c1F	ZINC000132896485	432054826	/nfs/dbraw/zinc/05/48/26/432054826.db2.gz	SZKMXJXWCHIVBI-UHFFFAOYSA-N	-1	1	302.227	3.354	10	0		DGAEMM
CC(=O)Nc1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)c1	ZINC000188128819	200198717	/nfs/dbraw/zinc/19/87/17/200198717.db2.gz	JRIOVTWJFDVHCG-UHFFFAOYSA-N	-1	1	315.398	3.310	10	0		DGAEMM
CCCCc1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1	ZINC000188137738	200199510	/nfs/dbraw/zinc/19/95/10/200199510.db2.gz	HAMLOJNTVXNVKA-UHFFFAOYSA-N	-1	1	306.391	3.078	10	0		DGAEMM
CC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C)cc1	ZINC000079095086	283874318	/nfs/dbraw/zinc/87/43/18/283874318.db2.gz	YOOCNBBYPKHQKX-HNNXBMFYSA-N	-1	1	321.380	3.113	10	0		DGAEMM
Cc1nc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cs1	ZINC000190010127	432112440	/nfs/dbraw/zinc/11/24/40/432112440.db2.gz	SAFJXHBYWRWVBE-ZDUSSCGKSA-N	-1	1	306.362	3.274	10	0		DGAEMM
COCc1csc(NC(=O)c2cc3ccccc3cc2[O-])n1	ZINC000115243356	284112707	/nfs/dbraw/zinc/11/27/07/284112707.db2.gz	PQPDQUYJOYNMDU-UHFFFAOYSA-N	-1	1	314.366	3.401	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc12	ZINC000093909151	193327003	/nfs/dbraw/zinc/32/70/03/193327003.db2.gz	GPJOEHSAECVQNL-UHFFFAOYSA-N	-1	1	321.789	3.326	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc12	ZINC000093909151	193327005	/nfs/dbraw/zinc/32/70/05/193327005.db2.gz	GPJOEHSAECVQNL-UHFFFAOYSA-N	-1	1	321.789	3.326	10	0		DGAEMM
CC(C)C(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2)cc1	ZINC000016121964	182034739	/nfs/dbraw/zinc/03/47/39/182034739.db2.gz	OABUBQQGRSOFHO-UHFFFAOYSA-N	-1	1	318.398	3.082	10	0		DGAEMM
CCC1=C[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@](C(=O)[O-])(C2)[C@H]13	ZINC000065735410	184378001	/nfs/dbraw/zinc/37/80/01/184378001.db2.gz	QTHYWTOIDWEUIY-OACQNMCBSA-N	-1	1	322.408	3.087	10	0	in-vitro	DGAEMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C(C)C)c1	ZINC000017056417	400177328	/nfs/dbraw/zinc/17/73/28/400177328.db2.gz	KARVJWKMQNXGJX-LBPRGKRZSA-N	-1	1	318.446	3.077	10	0		DGAEMM
O=C(N[C@@H](c1ccccc1)[P@H](=O)[O-])OCc1ccccc1	ZINC000117034184	400414358	/nfs/dbraw/zinc/41/43/58/400414358.db2.gz	DGOKIIZDIIOOGY-CQSZACIVSA-N	-1	1	305.270	3.079	10	0		DGAEMM
COc1ccc(-c2nc(N)nc3ccc(Cl)cc32)c([O-])c1	ZINC000117391385	400417786	/nfs/dbraw/zinc/41/77/86/400417786.db2.gz	PPHRTDNRUHPGHB-UHFFFAOYSA-N	-1	1	301.733	3.247	10	0		DGAEMM
O=C(c1cc(Br)ccc1[O-])N1CC(CC2CC2)C1	ZINC000622252475	401370126	/nfs/dbraw/zinc/37/01/26/401370126.db2.gz	QVXLJZYYDZTFPK-UHFFFAOYSA-N	-1	1	310.191	3.027	10	0		DGAEMM
C[C@H](NC(=O)c1cncc([O-])c1)c1ccccc1Br	ZINC000111742423	431234551	/nfs/dbraw/zinc/23/45/51/431234551.db2.gz	OWYWMTNTHBTOKH-VIFPVBQESA-N	-1	1	321.174	3.041	10	0		DGAEMM
O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)cc1[O-]	ZINC000007217111	431337990	/nfs/dbraw/zinc/33/79/90/431337990.db2.gz	OHAVUMMAHVBGFT-CYBMUJFWSA-N	-1	1	303.745	3.299	10	0		DGAEMM
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c([O-])cccc12	ZINC000027563769	431687973	/nfs/dbraw/zinc/68/79/73/431687973.db2.gz	ZZCRCAHSCCNAPB-UHFFFAOYSA-N	-1	1	306.243	3.315	10	0	in-vitro	DGAEMM
C[C@H]1CC[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000124796437	431904985	/nfs/dbraw/zinc/90/49/85/431904985.db2.gz	IWUOSRBUMWFZTH-UWVGGRQHSA-N	-1	1	312.207	3.415	10	0		DGAEMM
CC1(C)CN(C(=O)c2cc(F)ccc2[O-])CC2(CCCC2)O1	ZINC000189949812	281219271	/nfs/dbraw/zinc/21/92/71/281219271.db2.gz	JKHIUPSYZPRQLI-UHFFFAOYSA-N	-1	1	307.365	3.095	10	0		DGAEMM
O=C(c1ccc(Br)cc1[O-])N1CCCC12CCC2	ZINC000373118400	433096297	/nfs/dbraw/zinc/09/62/97/433096297.db2.gz	QZUCOFWTXOGFQK-UHFFFAOYSA-N	-1	1	310.191	3.313	10	0		DGAEMM
C[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@H](c2ccco2)C1	ZINC000436702223	434075987	/nfs/dbraw/zinc/07/59/87/434075987.db2.gz	HJUIBFHVWZXNTA-DOMZBBRYSA-N	-1	1	313.353	3.168	10	0		DGAEMM
O=C(NCCC1(F)CCC1)c1cc(Br)ccc1[O-]	ZINC000436732073	434086616	/nfs/dbraw/zinc/08/66/16/434086616.db2.gz	BXCUVFFZEGPBCP-UHFFFAOYSA-N	-1	1	316.170	3.167	10	0		DGAEMM
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436824548	434121444	/nfs/dbraw/zinc/12/14/44/434121444.db2.gz	BVWJVBNDRUBRQC-OIBJUYFYSA-N	-1	1	307.699	3.459	10	0		DGAEMM
CCCCCC[C@](C)(CC)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000361217456	434832190	/nfs/dbraw/zinc/83/21/90/434832190.db2.gz	NMNVYGJFNOHMAZ-PBHICJAKSA-N	-1	1	321.469	3.292	10	0		DGAEMM
Cc1c([O-])c(Br)ccc1I	ZINC000575693367	435045097	/nfs/dbraw/zinc/04/50/97/435045097.db2.gz	RFJCCXOPSHPJHI-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
COc1ccc([C@@H]2CCC([O-])=CC(=O)CCC(=O)C2)cc1C	ZINC000584614994	337372743	/nfs/dbraw/zinc/37/27/43/337372743.db2.gz	GOVXJWZOVCELFR-CQSZACIVSA-N	-1	1	302.370	3.149	10	0		DGAEMM
O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1ccc(Cl)cn1	ZINC000255728741	660487510	/nfs/dbraw/zinc/48/75/10/660487510.db2.gz	BLEJJSIWRSCHQT-FPLPWBNLSA-N	-1	1	312.753	3.287	10	0		DGAEMM
CCCCCCNC(=O)c1ccc(Br)cc1[O-]	ZINC000070468665	1195873808	/nfs/dbraw/zinc/87/38/08/1195873808.db2.gz	NFKSKKUWEYFNBF-UHFFFAOYSA-N	-1	1	300.196	3.465	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)cc1[O-]	ZINC000403661270	1199513489	/nfs/dbraw/zinc/51/34/89/1199513489.db2.gz	STKOKGUZHKLRKR-OUAUKWLOSA-N	-1	1	324.218	3.321	10	0		DGAEMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)C[C@H](C)C(C)C)CC1	ZINC000068453668	190768140	/nfs/dbraw/zinc/76/81/40/190768140.db2.gz	ABEAFUWKVMDLRW-LBPRGKRZSA-N	-1	1	324.494	3.349	10	0		DGAEMM
O=C(c1cc(F)ccc1[O-])N1CCCC[C@H]1c1nccs1	ZINC000179539846	432061789	/nfs/dbraw/zinc/06/17/89/432061789.db2.gz	OTLBPLMGHGYERS-LBPRGKRZSA-N	-1	1	306.362	3.355	10	0		DGAEMM
Cc1nn(C)c(Cl)c1CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195081300	201337470	/nfs/dbraw/zinc/33/74/70/201337470.db2.gz	JWNSTIUESPIQIL-UHFFFAOYSA-N	-1	1	310.810	3.047	10	0		DGAEMM
O=C(c1ccc([O-])cc1F)N1CCc2[nH]c3ccccc3c2C1	ZINC000181080186	432112473	/nfs/dbraw/zinc/11/24/73/432112473.db2.gz	IOORVRIATPYJTM-UHFFFAOYSA-N	-1	1	310.328	3.211	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(C)ccc3C)ccc12	ZINC000093909357	193327780	/nfs/dbraw/zinc/32/77/80/193327780.db2.gz	FAWKGCCXUAGNSW-UHFFFAOYSA-N	-1	1	315.398	3.289	10	0		DGAEMM
Cc1nc(-c2cccc(NC(=O)c3cc(F)ccc3[O-])c2)no1	ZINC000094056769	193342271	/nfs/dbraw/zinc/34/22/71/193342271.db2.gz	VBKQIDUWXJWZPL-UHFFFAOYSA-N	-1	1	313.288	3.142	10	0		DGAEMM
O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)cc1[O-]	ZINC000007217114	284216765	/nfs/dbraw/zinc/21/67/65/284216765.db2.gz	OHAVUMMAHVBGFT-ZDUSSCGKSA-N	-1	1	303.745	3.299	10	0		DGAEMM
C[C@@H](Cc1ccccc1)C(=O)N=c1cc(-c2cccs2)[n-][nH]1	ZINC000487570117	245078718	/nfs/dbraw/zinc/07/87/18/245078718.db2.gz	UKJDUONFSMWTEV-LBPRGKRZSA-N	-1	1	311.410	3.377	10	0		DGAEMM
O=C(c1ccccc1[O-])N1CC2(CCOCC2)c2ccccc21	ZINC000189846885	296262130	/nfs/dbraw/zinc/26/21/30/296262130.db2.gz	RXYDNOFOSUINSK-UHFFFAOYSA-N	-1	1	309.365	3.101	10	0		DGAEMM
COc1ccc2nc([N-]c3ncnc(Cl)c3N)sc2c1	ZINC000040571974	183104520	/nfs/dbraw/zinc/10/45/20/183104520.db2.gz	LFOYSEDZNYHHGA-UHFFFAOYSA-N	-1	1	307.766	3.074	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(NCc2ccc(F)c(Cl)c2)[n-]1	ZINC000057342707	184034255	/nfs/dbraw/zinc/03/42/55/184034255.db2.gz	BDSBLULCGVFQID-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
O=C(NCCCC1CCCCC1)c1nc2ccccc2c(=O)[n-]1	ZINC000119768658	195033684	/nfs/dbraw/zinc/03/36/84/195033684.db2.gz	XJQSGUJOFPDNQQ-UHFFFAOYSA-N	-1	1	313.401	3.013	10	0		DGAEMM
CC(C)[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1	ZINC000323921683	400177726	/nfs/dbraw/zinc/17/77/26/400177726.db2.gz	VMAWSTCDCNYBHJ-ZDUSSCGKSA-N	-1	1	312.207	3.319	10	0		DGAEMM
CCOC(=O)c1cnc(NC(=O)CC/C=C\c2ccccc2)[n-]1	ZINC000585681447	400131782	/nfs/dbraw/zinc/13/17/82/400131782.db2.gz	BUFONBFSDKMTOK-POHAHGRESA-N	-1	1	313.357	3.019	10	0		DGAEMM
CCOC(=O)c1c[n-]c(NC(=O)CC/C=C\c2ccccc2)n1	ZINC000585681447	400131792	/nfs/dbraw/zinc/13/17/92/400131792.db2.gz	BUFONBFSDKMTOK-POHAHGRESA-N	-1	1	313.357	3.019	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ncccc2Cl)c(C)s1	ZINC000180194147	164877460	/nfs/dbraw/zinc/87/74/60/164877460.db2.gz	DKFCUQKARUCEEM-UHFFFAOYSA-N	-1	1	302.808	3.214	10	0		DGAEMM
C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000088707545	287674916	/nfs/dbraw/zinc/67/49/16/287674916.db2.gz	IXNLIHAGGUGRLA-NXEZZACHSA-N	-1	1	312.207	3.415	10	0		DGAEMM
Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(O)cc(F)c1	ZINC000131376042	292653528	/nfs/dbraw/zinc/65/35/28/292653528.db2.gz	LYHCATRFHFMDHE-UHFFFAOYSA-N	-1	1	315.753	3.294	10	0		DGAEMM
O=C(c1cccs1)c1c(O)nc2cc(Cl)ccc2c1[O-]	ZINC000000020182	431112298	/nfs/dbraw/zinc/11/22/98/431112298.db2.gz	YODMJHXQRJSVOT-UHFFFAOYSA-N	-1	1	305.742	3.180	10	0		DGAEMM
CCCC[C@@H]1CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000069225167	431171507	/nfs/dbraw/zinc/17/15/07/431171507.db2.gz	ZFXYWHACLUOGJY-TZMCWYRMSA-N	-1	1	313.401	3.012	10	0		DGAEMM
COc1ccc(-c2cc(=O)c3c([O-])c(C)c(OC)cc3o2)cc1	ZINC000014814973	431594817	/nfs/dbraw/zinc/59/48/17/431594817.db2.gz	QPWOSZAYIILLKU-UHFFFAOYSA-N	-1	1	312.321	3.491	10	0	endogenous,in-man	DGAEMM
COc1ccc(-c2cc([O-])c3c(=O)c(C)c(OC)cc-3o2)cc1	ZINC000014814973	431594826	/nfs/dbraw/zinc/59/48/26/431594826.db2.gz	QPWOSZAYIILLKU-UHFFFAOYSA-N	-1	1	312.321	3.491	10	0	endogenous,in-man	DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CC[C@H](C)C[C@H](C)C3)cnc2n1	ZINC000119372392	431684710	/nfs/dbraw/zinc/68/47/10/431684710.db2.gz	JFYIEVOGFVVUBX-RYUDHWBXSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](C)C[C@H](C)C1)c2=O	ZINC000119372392	431684716	/nfs/dbraw/zinc/68/47/16/431684716.db2.gz	JFYIEVOGFVVUBX-RYUDHWBXSA-N	-1	1	313.401	3.152	10	0		DGAEMM
C[C@H](c1ccco1)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1	ZINC000086164978	431842513	/nfs/dbraw/zinc/84/25/13/431842513.db2.gz	COVFYUPSFOQCTP-LLVKDONJSA-N	-1	1	323.352	3.294	10	0		DGAEMM
C[C@@H]1CC[C@@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000124796641	431904807	/nfs/dbraw/zinc/90/48/07/431904807.db2.gz	IWUOSRBUMWFZTH-NXEZZACHSA-N	-1	1	312.207	3.415	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1cccc(F)c1	ZINC000175388182	432431308	/nfs/dbraw/zinc/43/13/08/432431308.db2.gz	GSTOBCFJCSOCCK-BZNIZROVSA-N	-1	1	300.333	3.150	10	0		DGAEMM
Cc1csc(C2CCN(C(=O)c3cc(F)ccc3[O-])CC2)n1	ZINC000175215352	432411611	/nfs/dbraw/zinc/41/16/11/432411611.db2.gz	OSXMMALHQWCFHW-UHFFFAOYSA-N	-1	1	320.389	3.316	10	0		DGAEMM
CC[C@@H](C)NC(=O)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C	ZINC000195087210	432601431	/nfs/dbraw/zinc/60/14/31/432601431.db2.gz	WYMZOVVQRTVYJB-QMTHXVAHSA-N	-1	1	323.462	3.091	10	0		DGAEMM
O=C(NCc1ccc2cc[nH]c2n1)c1ccc2ccccc2c1[O-]	ZINC000436598304	434031803	/nfs/dbraw/zinc/03/18/03/434031803.db2.gz	ZUQOHHHUBLIHDO-UHFFFAOYSA-N	-1	1	317.348	3.352	10	0		DGAEMM
Cn1cc([C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000179540859	294297308	/nfs/dbraw/zinc/29/73/08/294297308.db2.gz	BFOKQTYYFTWIAG-QGZVFWFLSA-N	-1	1	321.380	3.256	10	0		DGAEMM
Cc1ccc([C@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])o1	ZINC000408370543	434567841	/nfs/dbraw/zinc/56/78/41/434567841.db2.gz	MNHBUIIOXAASJO-CYBMUJFWSA-N	-1	1	300.358	3.364	10	0		DGAEMM
[O-]c1cc(OC(F)F)cc(OC(F)F)c1Br	ZINC000575677020	435042841	/nfs/dbraw/zinc/04/28/41/435042841.db2.gz	PTLPDYZEPCSJKI-UHFFFAOYSA-N	-1	1	305.021	3.358	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1	ZINC000530169448	313331579	/nfs/dbraw/zinc/33/15/79/313331579.db2.gz	IDCLKXUXHHCDSN-XPTSAGLGSA-N	-1	1	318.200	3.230	10	0		DGAEMM
O=C(N[C@@H]1CCCOc2c(Cl)cccc21)c1cncc([O-])c1	ZINC000182643646	323307182	/nfs/dbraw/zinc/30/71/82/323307182.db2.gz	KJFORZFTGCAVQG-CQSZACIVSA-N	-1	1	318.760	3.084	10	0		DGAEMM
O=C(NCCCc1ccccn1)c1ccc2ccccc2c1[O-]	ZINC000179070177	534853055	/nfs/dbraw/zinc/85/30/55/534853055.db2.gz	GCMXEMHFMOLSCV-UHFFFAOYSA-N	-1	1	306.365	3.303	10	0		DGAEMM
C[C@H](NC(=O)C1CCC(c2ccccc2)CC1)c1cc(=O)[nH][n-]1	ZINC000898871934	619297034	/nfs/dbraw/zinc/29/70/34/619297034.db2.gz	QCOLJETYPDIXQA-GRTSSRMGSA-N	-1	1	313.401	3.267	10	0		DGAEMM
O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(F)ccc1O	ZINC000255396058	655729294	/nfs/dbraw/zinc/72/92/94/655729294.db2.gz	TUJQNKUJDCSYKO-FPLPWBNLSA-N	-1	1	311.309	3.083	10	0		DGAEMM
CCC[C@H](CC)NC(=O)c1ccc(Br)cc1[O-]	ZINC000050406273	1194596401	/nfs/dbraw/zinc/59/64/01/1194596401.db2.gz	GRFJWEDJELNCMV-JTQLQIEISA-N	-1	1	300.196	3.463	10	0		DGAEMM
Cc1ccc([C@H](C)N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000079403089	185169320	/nfs/dbraw/zinc/16/93/20/185169320.db2.gz	CEATVLLQGMPYHQ-ZDUSSCGKSA-N	-1	1	321.380	3.477	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)s1	ZINC000074819774	191366312	/nfs/dbraw/zinc/36/63/12/191366312.db2.gz	NSLXTPATIDNGCE-UHFFFAOYSA-N	-1	1	321.427	3.296	10	0		DGAEMM
C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nc(C2CC2)no1	ZINC000188131593	200198591	/nfs/dbraw/zinc/19/85/91/200198591.db2.gz	WPCFVTBGQZBVNC-SSDOTTSWSA-N	-1	1	304.375	3.173	10	0		DGAEMM
Cc1ccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1	ZINC000188142561	200200043	/nfs/dbraw/zinc/20/00/43/200200043.db2.gz	PHSNTQNEDCQJOV-UHFFFAOYSA-N	-1	1	315.398	3.099	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(CCC)cc2)[nH]n1	ZINC000135044227	432097142	/nfs/dbraw/zinc/09/71/42/432097142.db2.gz	AUHNIQIAHONPDR-UHFFFAOYSA-N	-1	1	307.419	3.116	10	0		DGAEMM
COCc1csc(NC(=O)c2ccc3ccccc3c2[O-])n1	ZINC000115243541	284112602	/nfs/dbraw/zinc/11/26/02/284112602.db2.gz	XNELCYXOFKNLLY-UHFFFAOYSA-N	-1	1	314.366	3.401	10	0		DGAEMM
C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000473902239	244354958	/nfs/dbraw/zinc/35/49/58/244354958.db2.gz	NWHZUCQRQKGVBV-RNFRBKRXSA-N	-1	1	312.193	3.067	10	0		DGAEMM
COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1F	ZINC000163650817	533105308	/nfs/dbraw/zinc/10/53/08/533105308.db2.gz	YLYHGZWPTAJTDA-SECBINFHSA-N	-1	1	307.296	3.170	10	0		DGAEMM
O=c1[n-]cnc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)N2	ZINC000008169770	400120342	/nfs/dbraw/zinc/12/03/42/400120342.db2.gz	OSKVTNDMRAGFMR-MRXNPFEDSA-N	-1	1	316.364	3.448	10	0		DGAEMM
CSc1nc(-c2ccc(Br)s2)cc(=O)[n-]1	ZINC000409432222	400301421	/nfs/dbraw/zinc/30/14/21/400301421.db2.gz	VGXJCJIHNCUVPZ-UHFFFAOYSA-N	-1	1	303.206	3.395	10	0		DGAEMM
Cc1cc(C)c(Nc2nc(C)nc([N-]c3cnccn3)n2)c(C)c1	ZINC000039048116	400396841	/nfs/dbraw/zinc/39/68/41/400396841.db2.gz	ZRVYWZXFHFGHND-UHFFFAOYSA-N	-1	1	321.388	3.382	10	0		DGAEMM
O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1	ZINC000039243882	400398022	/nfs/dbraw/zinc/39/80/22/400398022.db2.gz	OLXMJMMJJLLYQA-UHFFFAOYSA-N	-1	1	310.762	3.055	10	0		DGAEMM
O=S(=O)(N=C([O-])Nc1ccccc1)c1ccc(Cl)cc1	ZINC000039243882	400398026	/nfs/dbraw/zinc/39/80/26/400398026.db2.gz	OLXMJMMJJLLYQA-UHFFFAOYSA-N	-1	1	310.762	3.055	10	0		DGAEMM
O=c1[n-]c(-c2ccnc(Cl)c2)ncc1OCc1ccccc1	ZINC000118886764	400431913	/nfs/dbraw/zinc/43/19/13/400431913.db2.gz	CVBYEDMHZLTFLQ-UHFFFAOYSA-N	-1	1	313.744	3.477	10	0		DGAEMM
Cc1nc(CC(C)C)oc1C(=O)[N-]c1nnc(C(F)F)s1	ZINC000188678992	165131832	/nfs/dbraw/zinc/13/18/32/165131832.db2.gz	ILBSXICFXMNXRZ-UHFFFAOYSA-N	-1	1	316.333	3.223	10	0		DGAEMM
CC1(C)CN(C(=O)c2ccc([O-])cc2F)CC2(CCCC2)O1	ZINC000189953759	165184238	/nfs/dbraw/zinc/18/42/38/165184238.db2.gz	WAHRAPWLUNTFEE-UHFFFAOYSA-N	-1	1	307.365	3.095	10	0		DGAEMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC(=O)Nc2ccccc21	ZINC000129624484	196063605	/nfs/dbraw/zinc/06/36/05/196063605.db2.gz	OFUSKNXPNJPZJX-LLVKDONJSA-N	-1	1	316.744	3.110	10	0		DGAEMM
CCCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCC1	ZINC000150845291	432195878	/nfs/dbraw/zinc/19/58/78/432195878.db2.gz	GAFSCPHPLOOSPO-AWEZNQCLSA-N	-1	1	313.401	3.012	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H]1c1nccs1	ZINC000373239069	271615089	/nfs/dbraw/zinc/61/50/89/271615089.db2.gz	JDWDJVKGOXTMNP-NSHDSACASA-N	-1	1	308.790	3.479	10	0		DGAEMM
O=C([O-])[C@H]1Cc2ccc(Cl)cc2CN1Cc1cccs1	ZINC000008698968	431406562	/nfs/dbraw/zinc/40/65/62/431406562.db2.gz	XBPFMPKZGOVCOZ-CQSZACIVSA-N	-1	1	307.802	3.413	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC2(C1)CCCCC2	ZINC000075498715	431480410	/nfs/dbraw/zinc/48/04/10/431480410.db2.gz	OUOLKRHOPOAPBC-UHFFFAOYSA-N	-1	1	311.385	3.132	10	0		DGAEMM
COc1ccc([C@H]2CC(=O)c3c(OC)cc([O-])cc3O2)cc1	ZINC000014806852	431596092	/nfs/dbraw/zinc/59/60/92/431596092.db2.gz	KFGFEKHSEPSVNO-CQSZACIVSA-N	-1	1	300.310	3.116	10	0	biogenic,in-vitro	DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H]2CCCC[C@@H]21	ZINC000127687484	431978379	/nfs/dbraw/zinc/97/83/79/431978379.db2.gz	TXLJTEMFSGCYBO-WMZOPIPTSA-N	-1	1	311.381	3.329	10	0		DGAEMM
C[C@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCc2ccccc21	ZINC000102889650	431999931	/nfs/dbraw/zinc/99/99/31/431999931.db2.gz	CRNZAHWZWGHVKY-AWEZNQCLSA-N	-1	1	324.306	3.056	10	0		DGAEMM
O=C(c1cc(F)ccc1[O-])N1CCc2[nH]c3ccccc3c2C1	ZINC000175185178	432408055	/nfs/dbraw/zinc/40/80/55/432408055.db2.gz	DCVBQOVCRLCBIL-UHFFFAOYSA-N	-1	1	310.328	3.211	10	0		DGAEMM
CCCC[C@H](CCC)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000176506485	432530121	/nfs/dbraw/zinc/53/01/21/432530121.db2.gz	GGVFRYXMNJGVOV-LBPRGKRZSA-N	-1	1	301.390	3.012	10	0		DGAEMM
CCN(CCc1nccs1)C(=O)c1ccc(Cl)cc1[O-]	ZINC000162288519	432818634	/nfs/dbraw/zinc/81/86/34/432818634.db2.gz	KDBWKWUMJOQZIA-UHFFFAOYSA-N	-1	1	310.806	3.207	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2ccsc2)C1	ZINC000163389818	432850948	/nfs/dbraw/zinc/85/09/48/432850948.db2.gz	HHHGGKMFUPJNEA-CQSZACIVSA-N	-1	1	323.801	3.321	10	0		DGAEMM
O=C(NC1(CCO)CCCCC1)c1cc2ccccc2cc1[O-]	ZINC000436799721	434113682	/nfs/dbraw/zinc/11/36/82/434113682.db2.gz	ZBMVZZUGNKWYGF-UHFFFAOYSA-N	-1	1	313.397	3.361	10	0		DGAEMM
CCc1noc(C)c1CNC(=O)c1cc2ccccc2cc1[O-]	ZINC000436950390	434185718	/nfs/dbraw/zinc/18/57/18/434185718.db2.gz	VHCGZHGFIOMZKS-UHFFFAOYSA-N	-1	1	310.353	3.334	10	0		DGAEMM
CCCCCC[C@@](C)(CC)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC000361217457	434831796	/nfs/dbraw/zinc/83/17/96/434831796.db2.gz	NMNVYGJFNOHMAZ-RHSMWYFYSA-N	-1	1	321.469	3.292	10	0		DGAEMM
CC(=O)c1cc(I)cc([O-])c1C(F)F	ZINC000575669586	435042348	/nfs/dbraw/zinc/04/23/48/435042348.db2.gz	DRIWOPXOKYAVQN-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
[O-]c1ccc(OC(F)(F)F)c(F)c1I	ZINC000575707353	435049202	/nfs/dbraw/zinc/04/92/02/435049202.db2.gz	WVCVKOZTECEILU-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
CC(C)(C)OC(=O)N1CC=C(c2ncc(Cl)cc2[O-])CC1	ZINC000536952326	435418161	/nfs/dbraw/zinc/41/81/61/435418161.db2.gz	BQBNJORVYNASBC-UHFFFAOYSA-N	-1	1	310.781	3.465	10	0		DGAEMM
Cc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2cc(F)ccc2n1	ZINC000263547497	301343490	/nfs/dbraw/zinc/34/34/90/301343490.db2.gz	ICWWIAALSOREAX-KPZWWZAWSA-N	-1	1	314.360	3.373	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@@H]1c1cccc(F)c1	ZINC000180111140	323221616	/nfs/dbraw/zinc/22/16/16/323221616.db2.gz	ZKAFJOSIPYLTNP-DIFFPNOSSA-N	-1	1	324.359	3.320	10	0		DGAEMM
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([O-])cc1F	ZINC000181090850	526900191	/nfs/dbraw/zinc/90/01/91/526900191.db2.gz	UKPRTSZSDBGJHH-RKDXNWHRSA-N	-1	1	305.271	3.382	10	0		DGAEMM
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])cc1F	ZINC000181090815	526907071	/nfs/dbraw/zinc/90/70/71/526907071.db2.gz	UKPRTSZSDBGJHH-DTWKUNHWSA-N	-1	1	305.271	3.382	10	0		DGAEMM
CC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1	ZINC000413001589	527131487	/nfs/dbraw/zinc/13/14/87/527131487.db2.gz	DHNIQXXYXDPKSL-OAHLLOKOSA-N	-1	1	300.383	3.482	10	0		DGAEMM
CC(C)Cc1nsc([N-]c2cnn(Cc3ccccn3)c2)n1	ZINC000185307722	546187238	/nfs/dbraw/zinc/18/72/38/546187238.db2.gz	DDLPDYYPMCLNFM-UHFFFAOYSA-N	-1	1	314.418	3.120	10	0		DGAEMM
O=C(NCCC1CC=CC1)c1ccc(Br)c([O-])c1	ZINC000724404889	655760414	/nfs/dbraw/zinc/76/04/14/655760414.db2.gz	SMKAPULDJYQACY-UHFFFAOYSA-N	-1	1	310.191	3.241	10	0		DGAEMM
CC(C)Oc1ncccc1[N-]S(=O)(=O)/C=C\c1ccccc1	ZINC000255849016	655914927	/nfs/dbraw/zinc/91/49/27/655914927.db2.gz	YESZYKYKBIKIJH-BENRWUELSA-N	-1	1	318.398	3.281	10	0		DGAEMM
O=C([N-]c1nc(-c2cccs2)ns1)c1ccnc(F)c1F	ZINC000193639718	656192547	/nfs/dbraw/zinc/19/25/47/656192547.db2.gz	IIFZPHNVMSZBLI-UHFFFAOYSA-N	-1	1	324.337	3.192	10	0		DGAEMM
CC(C)[C@H](C)CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S	ZINC000172579241	659345249	/nfs/dbraw/zinc/34/52/49/659345249.db2.gz	JPHRSNWHRPXLDH-SNVBAGLBSA-N	-1	1	324.475	3.077	10	0		DGAEMM
COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000194577480	662169239	/nfs/dbraw/zinc/16/92/39/662169239.db2.gz	NOBLGAPVUURRTL-NEPJUHHUSA-N	-1	1	318.760	3.191	10	0		DGAEMM
Cc1[n-]n(-c2ncc(Br)cc2C)c(=O)c1C(C)C	ZINC000398939631	685238634	/nfs/dbraw/zinc/23/86/34/685238634.db2.gz	VPUBMCSOUQHBST-NSHDSACASA-N	-1	1	310.195	3.147	10	0		DGAEMM
CC[C@H](C)[C@@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044491002	1194282572	/nfs/dbraw/zinc/28/25/72/1194282572.db2.gz	BEMZDCRNQFFUTM-DTWKUNHWSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CCC[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1	ZINC000079095124	185157778	/nfs/dbraw/zinc/15/77/78/185157778.db2.gz	WNEJKXDGYWJPKL-HNNXBMFYSA-N	-1	1	321.380	3.194	10	0		DGAEMM
CCOc1ccc2[n-]cc3c(=O)n(-c4ccccc4)nc-3c2c1	ZINC000072237220	191081168	/nfs/dbraw/zinc/08/11/68/191081168.db2.gz	IDNFOWYUCVSXIN-UHFFFAOYSA-N	-1	1	305.337	3.266	10	0		DGAEMM
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cccc1F	ZINC000163823309	432043824	/nfs/dbraw/zinc/04/38/24/432043824.db2.gz	SMTGYWHKOPDOHG-BDAKNGLRSA-N	-1	1	305.271	3.382	10	0		DGAEMM
Cc1cccc(NC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1	ZINC000188133014	200198292	/nfs/dbraw/zinc/19/82/92/200198292.db2.gz	CTGSUFFPEMPRGE-UHFFFAOYSA-N	-1	1	315.398	3.099	10	0		DGAEMM
COc1ccc(C(=O)Nc2cc(-n3cccn3)ccc2C)c([O-])c1	ZINC000189819563	432094223	/nfs/dbraw/zinc/09/42/23/432094223.db2.gz	IJNCXMNRXBGSQC-UHFFFAOYSA-N	-1	1	323.352	3.147	10	0		DGAEMM
COC(=O)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1	ZINC000195079064	201336636	/nfs/dbraw/zinc/33/66/36/201336636.db2.gz	VUNBZKXFNXXJAP-CQSZACIVSA-N	-1	1	316.382	3.066	10	0		DGAEMM
CCc1nc(CNC(=O)c2ccc3ccccc3c2[O-])cs1	ZINC000107776553	284057209	/nfs/dbraw/zinc/05/72/09/284057209.db2.gz	SOAIQDIFRMPBFI-UHFFFAOYSA-N	-1	1	312.394	3.494	10	0		DGAEMM
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000120011248	284158553	/nfs/dbraw/zinc/15/85/53/284158553.db2.gz	HXOQAHWLUNTECZ-UHFFFAOYSA-N	-1	1	316.357	3.483	10	0		DGAEMM
COc1ccc([C@@H](C)NC(=O)c2c([O-])cccc2F)cc1OC	ZINC000120024736	284158968	/nfs/dbraw/zinc/15/89/68/284158968.db2.gz	QYDIXBPYNJKURQ-SNVBAGLBSA-N	-1	1	319.332	3.040	10	0		DGAEMM
O=C(NCCCCOCc1ccccc1)c1c([O-])cccc1F	ZINC000121792734	284205863	/nfs/dbraw/zinc/20/58/63/284205863.db2.gz	PVEBKGKAFKSBNO-UHFFFAOYSA-N	-1	1	317.360	3.258	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)cc2C)[nH]n1	ZINC000126436091	284304854	/nfs/dbraw/zinc/30/48/54/284304854.db2.gz	QOGIEDDYSDXRFZ-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
CSCCCCNC(=O)c1ccc(Br)cc1[O-]	ZINC000128150226	284365040	/nfs/dbraw/zinc/36/50/40/284365040.db2.gz	CFOLRNXZOFPMRK-UHFFFAOYSA-N	-1	1	318.236	3.028	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@@H]1c1cn[nH]c1	ZINC000094148960	296209731	/nfs/dbraw/zinc/20/97/31/296209731.db2.gz	KXQRLQQUXNXPIU-CYBMUJFWSA-N	-1	1	305.765	3.136	10	0		DGAEMM
Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1	ZINC000105885846	194157567	/nfs/dbraw/zinc/15/75/67/194157567.db2.gz	ALBSXVDCDDSJCN-CYBMUJFWSA-N	-1	1	319.792	3.028	10	0		DGAEMM
CO[C@@H]1C[N@H+](Cc2cc(O)ccc2Br)CC[C@H]1C	ZINC000249215717	285063742	/nfs/dbraw/zinc/06/37/42/285063742.db2.gz	TUPHXDQJXXBFPN-QMTHXVAHSA-N	-1	1	314.223	3.012	10	0		DGAEMM
CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000171013780	400781973	/nfs/dbraw/zinc/78/19/73/400781973.db2.gz	BGPGMDYFAMQXLL-LLVKDONJSA-N	-1	1	309.362	3.334	10	0		DGAEMM
O=C(NC[C@@H]1CCCC12CC2)c1ccc(Br)c([O-])c1	ZINC000629831889	401097113	/nfs/dbraw/zinc/09/71/13/401097113.db2.gz	WMCMAJVRIPIMNF-NSHDSACASA-N	-1	1	324.218	3.465	10	0		DGAEMM
CCCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCC1	ZINC000150845316	432196676	/nfs/dbraw/zinc/19/66/76/432196676.db2.gz	GAFSCPHPLOOSPO-CQSZACIVSA-N	-1	1	313.401	3.012	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2cccs2)C1	ZINC000134349006	196381287	/nfs/dbraw/zinc/38/12/87/196381287.db2.gz	UPAKPFCHMRFTEZ-ZDUSSCGKSA-N	-1	1	323.801	3.321	10	0		DGAEMM
CCCC[C@H]1CCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000069225168	431170270	/nfs/dbraw/zinc/17/02/70/431170270.db2.gz	ZFXYWHACLUOGJY-GXTWGEPZSA-N	-1	1	313.401	3.012	10	0		DGAEMM
O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cccc(F)c1F	ZINC000111358121	431216883	/nfs/dbraw/zinc/21/68/83/431216883.db2.gz	GYOQTJKFOUOBPF-CHWSQXEVSA-N	-1	1	323.364	3.047	10	0		DGAEMM
C[C@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2O)CC[N@H+]1C	ZINC000124514221	431896044	/nfs/dbraw/zinc/89/60/44/431896044.db2.gz	PPYJBEFAZNPQSC-BBRMVZONSA-N	-1	1	312.413	3.100	10	0		DGAEMM
C[C@@H](NC(=O)c1cncc([O-])c1)c1ccc(-c2cccnc2)cc1	ZINC000174978871	432385153	/nfs/dbraw/zinc/38/51/53/432385153.db2.gz	MOISCEOORGBFTK-CYBMUJFWSA-N	-1	1	319.364	3.340	10	0		DGAEMM
Cc1nc2cc([N-]S(=O)(=O)c3cc(C)cc(F)c3)ccc2o1	ZINC000176678150	432542706	/nfs/dbraw/zinc/54/27/06/432542706.db2.gz	FZUKQDWKOGTNCT-UHFFFAOYSA-N	-1	1	320.345	3.385	10	0		DGAEMM
O=C([O-])[C@@H]1CN(Cc2cc(Cl)cs2)C[C@H]1C(F)(F)F	ZINC000263461952	432547140	/nfs/dbraw/zinc/54/71/40/432547140.db2.gz	BYBSBXUXXVECPT-RKDXNWHRSA-N	-1	1	313.728	3.096	10	0		DGAEMM
COC(=O)c1sccc1CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188140195	432707768	/nfs/dbraw/zinc/70/77/68/432707768.db2.gz	FJQHTGLEJPYHGB-UHFFFAOYSA-N	-1	1	322.411	3.200	10	0		DGAEMM
COC(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)s1	ZINC000188132092	432708008	/nfs/dbraw/zinc/70/80/08/432708008.db2.gz	WUMIPGIUAPUABS-UHFFFAOYSA-N	-1	1	322.411	3.200	10	0		DGAEMM
C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cc(Br)cs1	ZINC000263097991	289001151	/nfs/dbraw/zinc/00/11/51/289001151.db2.gz	VXRZAPVKEORHHM-LDYMZIIASA-N	-1	1	318.236	3.196	10	0		DGAEMM
C[C@@H](COCc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000390786560	293825445	/nfs/dbraw/zinc/82/54/45/293825445.db2.gz	QCQSOGUYADDGFY-LBPRGKRZSA-N	-1	1	319.788	3.381	10	0		DGAEMM
COC(=O)Cc1ccc([O-])c(C(F)(F)F)c1C(F)(F)F	ZINC000575381655	435033558	/nfs/dbraw/zinc/03/35/58/435033558.db2.gz	RASULTZLDVQXBR-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
CC(=O)c1cnc(NC(=O)c2ccc3ccccc3c2[O-])s1	ZINC000173058215	527421318	/nfs/dbraw/zinc/42/13/18/527421318.db2.gz	PBMFXUHRSXSVHB-UHFFFAOYSA-N	-1	1	312.350	3.457	10	0		DGAEMM
O=C(N[C@@H]1CC2CCC1CC2)c1ccc(Br)c([O-])c1	ZINC000312032619	574528514	/nfs/dbraw/zinc/52/85/14/574528514.db2.gz	ODCCXXIYELIRJM-SRHKJQAYSA-N	-1	1	324.218	3.463	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)n[nH]1	ZINC000126534884	623896108	/nfs/dbraw/zinc/89/61/08/623896108.db2.gz	VUYBIRRWTVPEIN-UHFFFAOYSA-N	-1	1	317.414	3.091	10	0		DGAEMM
Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1O	ZINC000182477343	660056880	/nfs/dbraw/zinc/05/68/80/660056880.db2.gz	ICQHXKTVJQQDRW-UHFFFAOYSA-N	-1	1	322.773	3.027	10	0		DGAEMM
Cc1ccc(CCC(=O)NCc2n[n-]c(=S)n2C(C)C)cc1	ZINC000066640600	655957435	/nfs/dbraw/zinc/95/74/35/655957435.db2.gz	CKBRGBKPMJNOFL-UHFFFAOYSA-N	-1	1	318.446	3.079	10	0		DGAEMM
O=C([O-])[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@H]1C(F)(F)F	ZINC000263036710	658098943	/nfs/dbraw/zinc/09/89/43/658098943.db2.gz	SITFYBRFGORFGC-GHMZBOCLSA-N	-1	1	307.699	3.035	10	0		DGAEMM
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[N-]O[C@@H]2CCCCO2)cc1	ZINC000076985185	662014533	/nfs/dbraw/zinc/01/45/33/662014533.db2.gz	BNOVYTYPUZAXMK-YESZJQIVSA-N	-1	1	303.402	3.488	10	0		DGAEMM
O=C(NC1CCC=CCC1)c1ccc(Br)c([O-])c1	ZINC000718077853	662216619	/nfs/dbraw/zinc/21/66/19/662216619.db2.gz	NZTOODJPUSCRHP-UHFFFAOYSA-N	-1	1	310.191	3.383	10	0		DGAEMM
CC(C)[C@H](NC(=O)c1ccc(Br)cc1[O-])C1CC1	ZINC000323925997	1197691601	/nfs/dbraw/zinc/69/16/01/1197691601.db2.gz	XFAUOYQQFMCXTG-ZDUSSCGKSA-N	-1	1	312.207	3.319	10	0		DGAEMM
O=C(N[C@@H]1CC2CCC1CC2)c1ccc(Br)cc1[O-]	ZINC000312103112	1199749550	/nfs/dbraw/zinc/74/95/50/1199749550.db2.gz	VPXJSGVYFYMACW-SRHKJQAYSA-N	-1	1	324.218	3.463	10	0		DGAEMM
CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)no1	ZINC000181242415	199269601	/nfs/dbraw/zinc/26/96/01/199269601.db2.gz	SRPMCULDCXTVPN-ZDUSSCGKSA-N	-1	1	319.336	3.015	10	0		DGAEMM
CCC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccccc1	ZINC000079095130	185157693	/nfs/dbraw/zinc/15/76/93/185157693.db2.gz	WNEJKXDGYWJPKL-OAHLLOKOSA-N	-1	1	321.380	3.194	10	0		DGAEMM
CCN1C(=O)N=NC1SCc1cccc2c1OC(C)(C)C2	ZINC000328724649	231322017	/nfs/dbraw/zinc/32/20/17/231322017.db2.gz	BADMHQPNKBHDKI-UHFFFAOYSA-N	-1	1	305.403	3.009	10	0		DGAEMM
CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])no1	ZINC000179646876	199069658	/nfs/dbraw/zinc/06/96/58/199069658.db2.gz	NZQHMSSZCHFHHS-GFCCVEGCSA-N	-1	1	319.336	3.015	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)[nH]n1	ZINC000126499859	284307598	/nfs/dbraw/zinc/30/75/98/284307598.db2.gz	NBSHUEQHZHIEAF-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
COc1cccc(F)c1[C@@H](C)NC(=O)c1c([O-])cccc1F	ZINC000126484999	284306714	/nfs/dbraw/zinc/30/67/14/284306714.db2.gz	JXRCWZWIGRESLB-SECBINFHSA-N	-1	1	307.296	3.170	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H]2CCCC[C@@H]21	ZINC000127687707	284629296	/nfs/dbraw/zinc/62/92/96/284629296.db2.gz	TXLJTEMFSGCYBO-FUHWJXTLSA-N	-1	1	311.381	3.329	10	0		DGAEMM
O=c1ccnc(SCc2cc(Br)cs2)[n-]1	ZINC000043687771	183381497	/nfs/dbraw/zinc/38/14/97/183381497.db2.gz	OUZMSBHDOJMFCL-UHFFFAOYSA-N	-1	1	303.206	3.299	10	0		DGAEMM
O=c1[n-]c(-c2cccs2)nc2c1Cc1cc(F)ccc1O2	ZINC000006748549	285194506	/nfs/dbraw/zinc/19/45/06/285194506.db2.gz	NKYFIHJWYRHGPV-UHFFFAOYSA-N	-1	1	300.314	3.334	10	0		DGAEMM
[O-]c1cc(F)c(OC(F)(F)F)cc1I	ZINC000498035799	400305630	/nfs/dbraw/zinc/30/56/30/400305630.db2.gz	HVGBXJSDXCPLCB-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
O=C(c1ccc([O-])cc1)c1ccc(I)cc1	ZINC000039649100	400399167	/nfs/dbraw/zinc/39/91/67/400399167.db2.gz	MKFDTCSQNKEBQK-UHFFFAOYSA-N	-1	1	324.117	3.228	10	0		DGAEMM
O=C(N[C@@H]1CCCC12CC2)c1ccc(Br)c([O-])c1	ZINC000633780067	401099594	/nfs/dbraw/zinc/09/95/94/401099594.db2.gz	NTWKEEXUACOQHK-GFCCVEGCSA-N	-1	1	310.191	3.217	10	0		DGAEMM
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1c([O-])cccc1F	ZINC000132055887	196222101	/nfs/dbraw/zinc/22/21/01/196222101.db2.gz	QJHXTHGOTQSZJE-SNVBAGLBSA-N	-1	1	319.380	3.282	10	0		DGAEMM
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1c([O-])cccc1F	ZINC000132056113	196222729	/nfs/dbraw/zinc/22/27/29/196222729.db2.gz	QJHXTHGOTQSZJE-JTQLQIEISA-N	-1	1	319.380	3.282	10	0		DGAEMM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc2ccccc2c1	ZINC000161286511	228251436	/nfs/dbraw/zinc/25/14/36/228251436.db2.gz	KWRRJTLWEZRHAW-UHFFFAOYSA-N	-1	1	317.341	3.485	10	0		DGAEMM
COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1ccccc1F	ZINC000074935584	431444492	/nfs/dbraw/zinc/44/44/92/431444492.db2.gz	ZXYRNHPVHWGBPJ-UHFFFAOYSA-N	-1	1	309.362	3.252	10	0		DGAEMM
CCc1ccccc1S(=O)(=O)[N-]c1ccc2oc(C)nc2c1	ZINC000187207661	432653371	/nfs/dbraw/zinc/65/33/71/432653371.db2.gz	RUXQULZFZRDFQM-UHFFFAOYSA-N	-1	1	316.382	3.499	10	0		DGAEMM
COc1ccc([C@H](C)NC(=O)c2ccc([O-])cc2F)cc1OC	ZINC000154630095	292685923	/nfs/dbraw/zinc/68/59/23/292685923.db2.gz	KKQALULXUKOZJS-JTQLQIEISA-N	-1	1	319.332	3.040	10	0		DGAEMM
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436824547	434120139	/nfs/dbraw/zinc/12/01/39/434120139.db2.gz	BVWJVBNDRUBRQC-GMSGAONNSA-N	-1	1	307.699	3.459	10	0		DGAEMM
Cc1nc2c(s1)[C@H](N(C)C(=O)c1ncc(C)cc1[O-])CCC2	ZINC000408229035	434554985	/nfs/dbraw/zinc/55/49/85/434554985.db2.gz	LZTVSCJCRFTHES-GFCCVEGCSA-N	-1	1	317.414	3.010	10	0		DGAEMM
Cc1csc([C@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])n1	ZINC000408368078	434567637	/nfs/dbraw/zinc/56/76/37/434567637.db2.gz	BPPGFWFPWLOAOS-GFCCVEGCSA-N	-1	1	317.414	3.228	10	0		DGAEMM
CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)Nc1ccc(O)cc1F)C2	ZINC000527005852	295069998	/nfs/dbraw/zinc/06/99/98/295069998.db2.gz	BAEFSOOBLMRPCY-SNVBAGLBSA-N	-1	1	317.364	3.121	10	0		DGAEMM
CCCCc1noc([C@H](C)Sc2nc(C)c(C)c(=O)[n-]2)n1	ZINC000538516872	435504385	/nfs/dbraw/zinc/50/43/85/435504385.db2.gz	VCFVAFJOIVLBCF-JTQLQIEISA-N	-1	1	308.407	3.378	10	0		DGAEMM
Cc1cnc(C(=O)N2CCC[C@]2(C)Cc2ccccc2)c([O-])c1	ZINC000547979698	435658531	/nfs/dbraw/zinc/65/85/31/435658531.db2.gz	XOBRQIFZEOIRJZ-LJQANCHMSA-N	-1	1	310.397	3.333	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(Cl)cc2Cl)C1	ZINC000530169446	313331079	/nfs/dbraw/zinc/33/10/79/313331079.db2.gz	IDCLKXUXHHCDSN-LKFCYVNXSA-N	-1	1	318.200	3.230	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1	ZINC000530169452	313331627	/nfs/dbraw/zinc/33/16/27/313331627.db2.gz	IFDAUDWYNUKKOL-XPTSAGLGSA-N	-1	1	318.200	3.230	10	0		DGAEMM
CC[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)C	ZINC000228316807	546269823	/nfs/dbraw/zinc/26/98/23/546269823.db2.gz	ONQIJWUTQRVWQW-NSHDSACASA-N	-1	1	300.196	3.319	10	0		DGAEMM
C[C@H]1C[C@@H]1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-]	ZINC000740924166	574945877	/nfs/dbraw/zinc/94/58/77/574945877.db2.gz	PRYXEUWQHNUFRZ-WDEREUQCSA-N	-1	1	320.389	3.125	10	0		DGAEMM
C[C@H]([NH2+]Cc1cscn1)c1cc(Br)ccc1O	ZINC000185246279	660211577	/nfs/dbraw/zinc/21/15/77/660211577.db2.gz	TVPFOSJOZGTOFA-QMMMGPOBSA-N	-1	1	313.220	3.462	10	0		DGAEMM
C[C@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@H](C)O1	ZINC000069370895	659992165	/nfs/dbraw/zinc/99/21/65/659992165.db2.gz	JXONJQYLIMKXGC-STQMWFEESA-N	-1	1	324.494	3.130	10	0		DGAEMM
Cc1cnc(SCc2ccc(Cl)nc2Cl)[n-]c1=O	ZINC000311169228	1083275649	/nfs/dbraw/zinc/27/56/49/1083275649.db2.gz	RTXHEFNBGOTUBL-UHFFFAOYSA-N	-1	1	302.186	3.485	10	0		DGAEMM
O=C(CC=Cc1ccc(F)cc1)Nc1n[n-]c(C(F)(F)F)n1	ZINC000255565897	1087064181	/nfs/dbraw/zinc/06/41/81/1087064181.db2.gz	YACUBXGYBWCFPZ-UPHRSURJSA-N	-1	1	314.242	3.005	10	0		DGAEMM
CCc1ccc([N-]S(=O)(=O)c2cccc(COC)c2)cc1F	ZINC000178960642	529689273	/nfs/dbraw/zinc/68/92/73/529689273.db2.gz	UOPDEFAQKIFILZ-UHFFFAOYSA-N	-1	1	323.389	3.335	10	0		DGAEMM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1O	ZINC000019231623	190644588	/nfs/dbraw/zinc/64/45/88/190644588.db2.gz	LZXFEMKXBBFDIT-UHFFFAOYSA-N	-1	1	305.717	3.305	10	0		DGAEMM
CC(Cl)(Cl)C(=O)[N-][C@H](Cc1ccccc1)C(F)(F)F	ZINC000181985111	199370407	/nfs/dbraw/zinc/37/04/07/199370407.db2.gz	ZCGAWRIXKKJKEO-SECBINFHSA-N	-1	1	314.134	3.470	10	0		DGAEMM
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc2ccccc21	ZINC000072673331	191211787	/nfs/dbraw/zinc/21/17/87/191211787.db2.gz	DENCGQKEHGXLMN-UHFFFAOYSA-N	-1	1	306.247	3.229	10	0		DGAEMM
O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1c([O-])cccc1F	ZINC000163823185	432043919	/nfs/dbraw/zinc/04/39/19/432043919.db2.gz	SMTGYWHKOPDOHG-RKDXNWHRSA-N	-1	1	305.271	3.382	10	0		DGAEMM
Cc1ccccc1NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188148218	200200740	/nfs/dbraw/zinc/20/07/40/200200740.db2.gz	OFXPWNSDBNYROW-UHFFFAOYSA-N	-1	1	315.398	3.099	10	0		DGAEMM
O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1sccc1Cl	ZINC000451325591	241083232	/nfs/dbraw/zinc/08/32/32/241083232.db2.gz	BFRQZLOZGSMMJM-ZETCQYMHSA-N	-1	1	315.794	3.258	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1CCCCCC1	ZINC000456117559	242353774	/nfs/dbraw/zinc/35/37/74/242353774.db2.gz	GDCRYCYRRRAGEB-UHFFFAOYSA-N	-1	1	319.449	3.488	10	0		DGAEMM
O=C(NCc1ccn(C2CCCC2)n1)c1cc(Cl)ccc1[O-]	ZINC000119010224	284132379	/nfs/dbraw/zinc/13/23/79/284132379.db2.gz	UCYIGLHCVTXOAU-UHFFFAOYSA-N	-1	1	319.792	3.287	10	0		DGAEMM
Cc1cccc2[nH]cc(CCNC(=O)c3c([O-])cccc3F)c21	ZINC000123215458	284234362	/nfs/dbraw/zinc/23/43/62/284234362.db2.gz	BEMPWRISLIMPTC-UHFFFAOYSA-N	-1	1	312.344	3.294	10	0		DGAEMM
CC(=O)c1cnc(NC(=O)c2cc3ccccc3cc2[O-])s1	ZINC000125260763	284271918	/nfs/dbraw/zinc/27/19/18/284271918.db2.gz	MKENDBAYHMIVEY-UHFFFAOYSA-N	-1	1	312.350	3.457	10	0		DGAEMM
Cc1nc(-c2cccc(NC(=O)c3ccc([O-])cc3F)c2)no1	ZINC000181914433	432149271	/nfs/dbraw/zinc/14/92/71/432149271.db2.gz	UZTNNDBVOYUBMA-UHFFFAOYSA-N	-1	1	313.288	3.142	10	0		DGAEMM
CO[C@@H](C)c1nc(=NCCCCOCc2ccccc2)s[n-]1	ZINC000337921015	253194189	/nfs/dbraw/zinc/19/41/89/253194189.db2.gz	ZXDQYIFCPNWCOX-ZDUSSCGKSA-N	-1	1	321.446	3.076	10	0		DGAEMM
COc1ccc(C(=O)Nc2cccc([C@@H](C)OC)c2)c([O-])c1	ZINC000170730504	533348911	/nfs/dbraw/zinc/34/89/11/533348911.db2.gz	KDZSUTCWANVLCL-LLVKDONJSA-N	-1	1	301.342	3.361	10	0		DGAEMM
Cc1nc(C(=O)OC(C)(C)C)c(OCc2ccccc2)c(=O)[n-]1	ZINC000400511496	400289384	/nfs/dbraw/zinc/28/93/84/400289384.db2.gz	APGMJRSOGPBTTL-UHFFFAOYSA-N	-1	1	316.357	3.025	10	0		DGAEMM
CC1=C(C)CN(C(=O)c2ccc(Br)c([O-])c2)CC1	ZINC000361351317	286659283	/nfs/dbraw/zinc/65/92/83/286659283.db2.gz	LDUYECPGKQDARR-UHFFFAOYSA-N	-1	1	310.191	3.337	10	0		DGAEMM
CCC1([N-]S(=O)(=O)c2sccc2Br)CCC1	ZINC000135615531	196492722	/nfs/dbraw/zinc/49/27/22/196492722.db2.gz	MIXLPOSVOYWTBS-UHFFFAOYSA-N	-1	1	324.265	3.122	10	0		DGAEMM
CC(C)CCc1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1	ZINC000188128778	263689228	/nfs/dbraw/zinc/68/92/28/263689228.db2.gz	WJWLOBSXGDSHDX-UHFFFAOYSA-N	-1	1	320.418	3.324	10	0		DGAEMM
C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-]	ZINC000179527866	278857815	/nfs/dbraw/zinc/85/78/15/278857815.db2.gz	PYCUKBAALRPWOP-SJKOYZFVSA-N	-1	1	315.344	3.134	10	0		DGAEMM
CC[C@@]1(C)CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1	ZINC000075213504	431461912	/nfs/dbraw/zinc/46/19/12/431461912.db2.gz	UQWCXXLNPANENZ-SFHVURJKSA-N	-1	1	313.401	3.296	10	0		DGAEMM
CC[C@@]1(C)CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1	ZINC000075213504	431461919	/nfs/dbraw/zinc/46/19/19/431461919.db2.gz	UQWCXXLNPANENZ-SFHVURJKSA-N	-1	1	313.401	3.296	10	0		DGAEMM
C[C@@H](c1ccco1)N(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC1	ZINC000086164976	431842781	/nfs/dbraw/zinc/84/27/81/431842781.db2.gz	COVFYUPSFOQCTP-NSHDSACASA-N	-1	1	323.352	3.294	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2ccc(Cl)cc2F)[n-]1	ZINC000090371063	431890981	/nfs/dbraw/zinc/89/09/81/431890981.db2.gz	GPZXNRAJBWSLKN-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
Cc1csc([C@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)n1	ZINC000175257616	432417540	/nfs/dbraw/zinc/41/75/40/432417540.db2.gz	KIXYLECLNPISQA-NSHDSACASA-N	-1	1	320.389	3.316	10	0		DGAEMM
CCC[C@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)C	ZINC000154666170	432513394	/nfs/dbraw/zinc/51/33/94/432513394.db2.gz	OOKGKJDQSFKYDH-LLVKDONJSA-N	-1	1	305.205	3.368	10	0		DGAEMM
CCCCc1nc2ccc(NC(=O)CCCCC(=O)[O-])cc2[nH]1	ZINC000263107400	432519544	/nfs/dbraw/zinc/51/95/44/432519544.db2.gz	ACPGANZKNIMVOA-UHFFFAOYSA-N	-1	1	317.389	3.489	10	0		DGAEMM
CC(C)C[C@@H](CO)N(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000186652992	432618554	/nfs/dbraw/zinc/61/85/54/432618554.db2.gz	CTKSWKSEPPVEAA-HNNXBMFYSA-N	-1	1	301.386	3.024	10	0		DGAEMM
O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@]2(CC=CCC2)C1	ZINC000333019942	433028587	/nfs/dbraw/zinc/02/85/87/433028587.db2.gz	ILCJSAQVNSGIBN-KRWDZBQOSA-N	-1	1	314.364	3.060	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCC=C(Br)C1	ZINC000282854705	433635313	/nfs/dbraw/zinc/63/53/13/433635313.db2.gz	XBIWUMJLXLPXMA-UHFFFAOYSA-N	-1	1	316.582	3.170	10	0		DGAEMM
C[C@H](COCc1ccccc1)NC(=O)c1cc(Cl)ccc1[O-]	ZINC000390786559	293825451	/nfs/dbraw/zinc/82/54/51/293825451.db2.gz	QCQSOGUYADDGFY-GFCCVEGCSA-N	-1	1	319.788	3.381	10	0		DGAEMM
O=C(NCCc1cccc2ccccc21)C(=O)c1ccc([O-])cc1	ZINC000436663674	434061988	/nfs/dbraw/zinc/06/19/88/434061988.db2.gz	IDEPYZRDONRZQH-UHFFFAOYSA-N	-1	1	319.360	3.087	10	0		DGAEMM
CC(=O)c1cc([O-])c(I)c(C(F)F)c1	ZINC000575670199	435041758	/nfs/dbraw/zinc/04/17/58/435041758.db2.gz	XBKSQZSAPFDIDT-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
CC(=O)c1cc([O-])c(I)cc1C(F)F	ZINC000575669693	435041824	/nfs/dbraw/zinc/04/18/24/435041824.db2.gz	JVMKKYORUWCJIT-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
CC(=O)NC(C)(C)C(=O)Nc1cc(Cl)c([O-])c2ccccc12	ZINC000529538320	313220903	/nfs/dbraw/zinc/22/09/03/313220903.db2.gz	ADLCEBFGMTYTKQ-UHFFFAOYSA-N	-1	1	320.776	3.052	10	0		DGAEMM
O=c1c2nccnc2[nH]c([O-])c1-c1ccccc1C(F)(F)F	ZINC000584652884	337381126	/nfs/dbraw/zinc/38/11/26/337381126.db2.gz	SMMLNYNBDLBFNT-UHFFFAOYSA-N	-1	1	307.231	3.122	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CCC(C(C)C)CC3)cnc2n1	ZINC000174380797	534396684	/nfs/dbraw/zinc/39/66/84/534396684.db2.gz	JUKLOXSKUIVADP-UHFFFAOYSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(C(C)C)CC1)c2=O	ZINC000174380797	534396690	/nfs/dbraw/zinc/39/66/90/534396690.db2.gz	JUKLOXSKUIVADP-UHFFFAOYSA-N	-1	1	313.401	3.152	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1cccc(F)c1	ZINC000153936527	524277432	/nfs/dbraw/zinc/27/74/32/524277432.db2.gz	AVCRSJMKFMWOOH-ZBEGNZNMSA-N	-1	1	300.333	3.150	10	0		DGAEMM
CC(=O)c1cc(F)c([N-]C(=O)c2nc3c(s2)CCC3)c(F)c1	ZINC000415367925	527208986	/nfs/dbraw/zinc/20/89/86/527208986.db2.gz	IYBSYICGGISNAN-UHFFFAOYSA-N	-1	1	322.336	3.365	10	0		DGAEMM
O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)c(F)c1	ZINC000195079093	546252126	/nfs/dbraw/zinc/25/21/26/546252126.db2.gz	FYWWRGYKWHKVNK-UHFFFAOYSA-N	-1	1	322.336	3.313	10	0		DGAEMM
O=C(N[C@H]1CCCC1(F)F)c1ccc(Br)c([O-])c1	ZINC000398346915	575962528	/nfs/dbraw/zinc/96/25/28/575962528.db2.gz	UZKHVCHWRBVXKU-JTQLQIEISA-N	-1	1	320.133	3.072	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2nccs2)C1	ZINC000710495004	660932555	/nfs/dbraw/zinc/93/25/55/660932555.db2.gz	WPPZLOPFZGTIDD-VIFPVBQESA-N	-1	1	308.790	3.132	10	0		DGAEMM
O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cc(Cl)ccn1	ZINC000255052286	655579279	/nfs/dbraw/zinc/57/92/79/655579279.db2.gz	BTKQGLXZTBHHAV-VURMDHGXSA-N	-1	1	312.753	3.287	10	0		DGAEMM
CN(Cc1ccc(Cl)nc1)C(=O)c1ccc(Cl)cc1[O-]	ZINC000120963170	655592557	/nfs/dbraw/zinc/59/25/57/655592557.db2.gz	UGHWECZBJMLPDI-UHFFFAOYSA-N	-1	1	311.168	3.366	10	0		DGAEMM
CCOc1ncccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1	ZINC000176692429	655784698	/nfs/dbraw/zinc/78/46/98/655784698.db2.gz	QSAJZFPBEUYSFI-PKNBQFBNSA-N	-1	1	322.361	3.032	10	0		DGAEMM
Cc1[n-]n(-c2ncc(Br)cc2C)c(=O)c1C(C)C	ZINC000398939630	685238229	/nfs/dbraw/zinc/23/82/29/685238229.db2.gz	VPUBMCSOUQHBST-LLVKDONJSA-N	-1	1	310.195	3.147	10	0		DGAEMM
CC(C)CCCNC(=O)c1cc(Br)ccc1[O-]	ZINC000221000552	1176838014	/nfs/dbraw/zinc/83/80/14/1176838014.db2.gz	UZRHXRQDTVCZCL-UHFFFAOYSA-N	-1	1	300.196	3.321	10	0		DGAEMM
Cc1cc([N+](=O)[O-])c(F)c(C(=O)[N-]OCc2ccccc2)c1F	ZINC000381898045	1177010040	/nfs/dbraw/zinc/01/00/40/1177010040.db2.gz	GMTSTYMSQSDTHP-UHFFFAOYSA-N	-1	1	322.267	3.043	10	0		DGAEMM
C[C@]1(NC(=O)c2cc(Br)ccc2[O-])CC=CCC1	ZINC000398344507	1177017990	/nfs/dbraw/zinc/01/79/90/1177017990.db2.gz	SZYZFUDSGWLCDY-AWEZNQCLSA-N	-1	1	310.191	3.383	10	0		DGAEMM
C[C@H](NC(=O)c1ccc(Br)cc1[O-])C1CCCC1	ZINC000070308305	1195861930	/nfs/dbraw/zinc/86/19/30/1195861930.db2.gz	ZKHLDLFDCVPYQF-VIFPVBQESA-N	-1	1	312.207	3.463	10	0		DGAEMM
CC(=Cc1ccc(F)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000255137526	1203837624	/nfs/dbraw/zinc/83/76/24/1203837624.db2.gz	RMQSVDMUAKNIEA-SREVYHEPSA-N	-1	1	314.242	3.005	10	0		DGAEMM
Cc1ccc([C@@H](C)N(C)C(=O)c2nc3ccccc3c(=O)[n-]2)cc1	ZINC000079403083	185169204	/nfs/dbraw/zinc/16/92/04/185169204.db2.gz	CEATVLLQGMPYHQ-CYBMUJFWSA-N	-1	1	321.380	3.477	10	0		DGAEMM
COC(=O)Cc1oc(C(=O)c2ccc([O-])cc2)c2ccccc21	ZINC000090514080	185299822	/nfs/dbraw/zinc/29/98/22/185299822.db2.gz	GWTNPVCZTYEABC-UHFFFAOYSA-N	-1	1	310.305	3.085	10	0		DGAEMM
Cn1cc([C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])cn1	ZINC000179540851	432062338	/nfs/dbraw/zinc/06/23/38/432062338.db2.gz	BFOKQTYYFTWIAG-KRWDZBQOSA-N	-1	1	321.380	3.256	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2cc(F)c(F)cc2F)[n-]1	ZINC000180401779	432085515	/nfs/dbraw/zinc/08/55/15/432085515.db2.gz	CGNOWEOLZVOLAK-UHFFFAOYSA-N	-1	1	323.196	3.230	10	0		DGAEMM
Cc1csc([C@H]2CCCN(C(=O)c3ccc([O-])cc3F)C2)n1	ZINC000181242154	432119932	/nfs/dbraw/zinc/11/99/32/432119932.db2.gz	DOHJJAVPWPKAHZ-NSHDSACASA-N	-1	1	320.389	3.316	10	0		DGAEMM
CC(C)(C)c1cc(=O)[n-]c(-c2ccccc2Br)n1	ZINC000036755587	182841235	/nfs/dbraw/zinc/84/12/35/182841235.db2.gz	GPAODJKNOPGSEU-UHFFFAOYSA-N	-1	1	307.191	3.497	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(C)s1	ZINC000048654490	183674026	/nfs/dbraw/zinc/67/40/26/183674026.db2.gz	MESAZJOHXFRAJH-UHFFFAOYSA-N	-1	1	311.428	3.488	10	0		DGAEMM
COc1cccc([N-]S(=O)(=O)c2cccc3ncccc32)c1	ZINC000120001633	195078050	/nfs/dbraw/zinc/07/80/50/195078050.db2.gz	HWWSSHSLGIEOPC-UHFFFAOYSA-N	-1	1	314.366	3.044	10	0		DGAEMM
O=S(=O)([N-]c1ccc(F)cc1)c1cccc2ncccc21	ZINC000120002443	195078290	/nfs/dbraw/zinc/07/82/90/195078290.db2.gz	POFTXOGVFSSUDK-UHFFFAOYSA-N	-1	1	302.330	3.175	10	0		DGAEMM
CC(=O)c1cc(F)c([N-]C(=O)c2cn3ccnc3s2)c(F)c1	ZINC000344051171	254218336	/nfs/dbraw/zinc/21/83/36/254218336.db2.gz	REFPBIBFWXYNDT-UHFFFAOYSA-N	-1	1	321.308	3.129	10	0		DGAEMM
CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000171013564	400782059	/nfs/dbraw/zinc/78/20/59/400782059.db2.gz	RUUFZFLYWVEZOU-LLVKDONJSA-N	-1	1	309.362	3.334	10	0		DGAEMM
CC(=O)c1[n-]c(=NCc2ccc(C(C)(C)C)[nH]c2=O)sc1C	ZINC000631424690	401467894	/nfs/dbraw/zinc/46/78/94/401467894.db2.gz	UURPKZKYCUXEGB-UHFFFAOYSA-N	-1	1	319.430	3.086	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CCC4(CCCC4)C3)cnc2n1	ZINC000174853300	292304998	/nfs/dbraw/zinc/30/49/98/292304998.db2.gz	NLZHAQZSXYWWNN-UHFFFAOYSA-N	-1	1	311.385	3.050	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC3(CCCC3)C1)c2=O	ZINC000174853300	292305000	/nfs/dbraw/zinc/30/50/00/292305000.db2.gz	NLZHAQZSXYWWNN-UHFFFAOYSA-N	-1	1	311.385	3.050	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H]1c1nccs1	ZINC000373239064	271614694	/nfs/dbraw/zinc/61/46/94/271614694.db2.gz	JDWDJVKGOXTMNP-LLVKDONJSA-N	-1	1	308.790	3.479	10	0		DGAEMM
CC(=O)c1ccc(C(=O)[N-]c2nnc(CCC(C)C)s2)o1	ZINC000617093833	430590057	/nfs/dbraw/zinc/59/00/57/430590057.db2.gz	BHCJTMGGMIYPQN-UHFFFAOYSA-N	-1	1	307.375	3.175	10	0		DGAEMM
C[C@@H](NC(=O)c1cncc([O-])c1)c1cccc(Br)c1	ZINC000108953119	431163856	/nfs/dbraw/zinc/16/38/56/431163856.db2.gz	KHNJXRHYOGUDSY-SECBINFHSA-N	-1	1	321.174	3.041	10	0		DGAEMM
CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCc2ccccc21	ZINC000074273517	431408281	/nfs/dbraw/zinc/40/82/81/431408281.db2.gz	FUVWFSKZLPMQAJ-INIZCTEOSA-N	-1	1	319.364	3.095	10	0		DGAEMM
O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCOc2ccccc21	ZINC000182014991	280181930	/nfs/dbraw/zinc/18/19/30/280181930.db2.gz	HSQZDPGIPDLLBA-UHFFFAOYSA-N	-1	1	323.270	3.450	10	0		DGAEMM
Cc1nnc([N-]C(=O)c2ncoc2-c2ccccc2Cl)s1	ZINC000152106205	432304859	/nfs/dbraw/zinc/30/48/59/432304859.db2.gz	AFWKUNQXCVOCHI-UHFFFAOYSA-N	-1	1	320.761	3.407	10	0		DGAEMM
COCc1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1	ZINC000193475081	432476151	/nfs/dbraw/zinc/47/61/51/432476151.db2.gz	HVKFVBXDUIDFOU-UHFFFAOYSA-N	-1	1	316.382	3.115	10	0		DGAEMM
Cc1ccc([C@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCO2)o1	ZINC000154280252	432487124	/nfs/dbraw/zinc/48/71/24/432487124.db2.gz	OOJXADZMGXHVNH-OAHLLOKOSA-N	-1	1	321.760	3.161	10	0		DGAEMM
CC(C)Cc1nnc([N-]C(=O)c2csc(Cl)n2)s1	ZINC000274495011	432673844	/nfs/dbraw/zinc/67/38/44/432673844.db2.gz	OPTCYWOJOKFYCU-UHFFFAOYSA-N	-1	1	302.812	3.099	10	0		DGAEMM
O=C(NCCC1(F)CCC1)c1ccc(Br)cc1[O-]	ZINC000436733316	434086285	/nfs/dbraw/zinc/08/62/85/434086285.db2.gz	GRQRCMAABDHQRV-UHFFFAOYSA-N	-1	1	316.170	3.167	10	0		DGAEMM
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436824550	434121176	/nfs/dbraw/zinc/12/11/76/434121176.db2.gz	BVWJVBNDRUBRQC-XVKPBYJWSA-N	-1	1	307.699	3.459	10	0		DGAEMM
CO[C@H](C)c1nc(=NC2CCC(CSC)CC2)s[n-]1	ZINC000385445575	434298836	/nfs/dbraw/zinc/29/88/36/434298836.db2.gz	IEQDGJFLUXOURE-KPPDAEKUSA-N	-1	1	301.481	3.001	10	0		DGAEMM
COC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1[O-]	ZINC000575340465	435030826	/nfs/dbraw/zinc/03/08/26/435030826.db2.gz	DJXNJKSBFTZRDQ-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
Cc1cc([O-])c(I)c(Br)c1	ZINC000575693286	435045863	/nfs/dbraw/zinc/04/58/63/435045863.db2.gz	QBOKZDKIJPGDNC-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ncccc1F	ZINC000480154609	435369450	/nfs/dbraw/zinc/36/94/50/435369450.db2.gz	RRSMOEXSCKTLNA-UHFFFAOYSA-N	-1	1	308.378	3.319	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@H](C)c2ccc(Cl)c(Cl)c2)C1	ZINC000530169451	313331562	/nfs/dbraw/zinc/33/15/62/313331562.db2.gz	IFDAUDWYNUKKOL-OTYXRUKQSA-N	-1	1	318.200	3.230	10	0		DGAEMM
Cc1cnc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)c([O-])c1	ZINC000548303477	314437183	/nfs/dbraw/zinc/43/71/83/314437183.db2.gz	YDSXTAFZBZVDSD-INIZCTEOSA-N	-1	1	308.381	3.388	10	0		DGAEMM
O=C1c2ccccc2N[C@H](c2cc(F)c([O-])c(F)c2)N1C1CC1	ZINC000175926389	534852558	/nfs/dbraw/zinc/85/25/58/534852558.db2.gz	IWFXMJHXTRHPQV-INIZCTEOSA-N	-1	1	316.307	3.399	10	0		DGAEMM
C[C@]1(C(F)(F)F)CN(Cc2cccc([O-])c2Cl)CCO1	ZINC000712804065	661189794	/nfs/dbraw/zinc/18/97/94/661189794.db2.gz	VTBFQCUTGOQLEV-GFCCVEGCSA-N	-1	1	309.715	3.199	10	0		DGAEMM
O=S(=O)(C=Cc1ccccc1)[N-]c1cc(C2CCCC2)[nH]n1	ZINC000255577091	655822636	/nfs/dbraw/zinc/82/26/36/655822636.db2.gz	LODMHPUMHNLMQL-KHPPLWFESA-N	-1	1	317.414	3.480	10	0		DGAEMM
O=C(C[C@H]1CCOc2ccccc21)Nc1nc(Cl)ccc1[O-]	ZINC000188341458	656145100	/nfs/dbraw/zinc/14/51/00/656145100.db2.gz	ULBWVMNTSXGQKJ-SNVBAGLBSA-N	-1	1	318.760	3.336	10	0		DGAEMM
Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(F)nc2F)c1C	ZINC000722567773	656969005	/nfs/dbraw/zinc/96/90/05/656969005.db2.gz	OJBUXNPRNIEIFT-UHFFFAOYSA-N	-1	1	318.370	3.147	10	0		DGAEMM
C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C(C)(C)C	ZINC000122835691	1200270590	/nfs/dbraw/zinc/27/05/90/1200270590.db2.gz	SZTWQXXCUAMDGT-MRVPVSSYSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CCOc1cc(C(=O)N2CCS[C@@H](C)C2)cc(Cl)c1[O-]	ZINC000186781890	200009346	/nfs/dbraw/zinc/00/93/46/200009346.db2.gz	VGUJSQGNHUEVRX-VIFPVBQESA-N	-1	1	315.822	3.022	10	0		DGAEMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1nc(C2CC2)no1	ZINC000188131571	200198442	/nfs/dbraw/zinc/19/84/42/200198442.db2.gz	WPCFVTBGQZBVNC-ZETCQYMHSA-N	-1	1	304.375	3.173	10	0		DGAEMM
COc1ccc([C@H](C)NC(=O)c2cc(F)ccc2[O-])cc1OC	ZINC000081943306	283929781	/nfs/dbraw/zinc/92/97/81/283929781.db2.gz	FWUCCIDWYGZMGG-JTQLQIEISA-N	-1	1	319.332	3.040	10	0		DGAEMM
O=C(NCc1ccn(C2CCCC2)n1)c1ccc(Cl)cc1[O-]	ZINC000118997179	284131573	/nfs/dbraw/zinc/13/15/73/284131573.db2.gz	NQLNXDOIGQEBDJ-UHFFFAOYSA-N	-1	1	319.792	3.287	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc12	ZINC000093909397	193326980	/nfs/dbraw/zinc/32/69/80/193326980.db2.gz	KHDYFNNQFLROHH-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(F)ccc3C)ccc12	ZINC000093909397	193326982	/nfs/dbraw/zinc/32/69/82/193326982.db2.gz	KHDYFNNQFLROHH-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
O=c1[n-]cnc2c1N=C(c1ccccc1)C[C@@H](c1ccccc1)N2	ZINC000018203317	400183562	/nfs/dbraw/zinc/18/35/62/400183562.db2.gz	OSKVTNDMRAGFMR-INIZCTEOSA-N	-1	1	316.364	3.448	10	0		DGAEMM
O=C(NC[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Br)c([O-])c1	ZINC000618505825	400605170	/nfs/dbraw/zinc/60/51/70/400605170.db2.gz	NPGIDUHJWRAMCT-USWWRNFRSA-N	-1	1	324.218	3.321	10	0		DGAEMM
Cc1ccc(S(=O)(=O)[N-]c2ccc3nccn3c2)c(Cl)c1	ZINC000606753439	400955565	/nfs/dbraw/zinc/95/55/65/400955565.db2.gz	XSILFYPSMRVNTE-UHFFFAOYSA-N	-1	1	321.789	3.097	10	0		DGAEMM
O=C(c1ncccc1[O-])N1CCC[C@@H](c2cc(F)ccc2F)C1	ZINC000191530077	165256554	/nfs/dbraw/zinc/25/65/54/165256554.db2.gz	OKEWUCWBVUNQIE-LLVKDONJSA-N	-1	1	318.323	3.085	10	0		DGAEMM
O=S(=O)([N-]CCc1cccs1)c1c(F)cccc1Cl	ZINC000131002086	196130730	/nfs/dbraw/zinc/13/07/30/196130730.db2.gz	SPOPHEYLZAQODQ-UHFFFAOYSA-N	-1	1	319.810	3.062	10	0		DGAEMM
C[C@@]1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCS1	ZINC000133052878	196307448	/nfs/dbraw/zinc/30/74/48/196307448.db2.gz	AVAIXMIHQIFOIH-LBPRGKRZSA-N	-1	1	323.842	3.043	10	0		DGAEMM
O=S(=O)([N-]c1ncccc1Cl)c1cccc2ncccc21	ZINC000180198487	228355044	/nfs/dbraw/zinc/35/50/44/228355044.db2.gz	SVDAPXXIBNJONC-UHFFFAOYSA-N	-1	1	319.773	3.084	10	0		DGAEMM
C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000088707543	287735341	/nfs/dbraw/zinc/73/53/41/287735341.db2.gz	IXNLIHAGGUGRLA-ZJUUUORDSA-N	-1	1	312.207	3.415	10	0		DGAEMM
CC(C)Cc1[n-]c2c(cccc2C(F)(F)F)c(=O)c1C(=O)O	ZINC000059846399	279240160	/nfs/dbraw/zinc/24/01/60/279240160.db2.gz	HLKIPILMJXNECU-UHFFFAOYSA-N	-1	1	313.275	3.444	10	0		DGAEMM
Cc1cc(C)cc(-c2cc(NC(=O)c3cncc([O-])c3)n[nH]2)c1	ZINC000111592471	431229788	/nfs/dbraw/zinc/22/97/88/431229788.db2.gz	FWQLIAMAANOXGA-UHFFFAOYSA-N	-1	1	308.341	3.046	10	0		DGAEMM
CCN(Cc1ccccc1C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000073853775	431384997	/nfs/dbraw/zinc/38/49/97/431384997.db2.gz	XOEPPDUVUFJWPD-UHFFFAOYSA-N	-1	1	321.380	3.306	10	0		DGAEMM
CC[C@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1	ZINC000117422446	431562118	/nfs/dbraw/zinc/56/21/18/431562118.db2.gz	WHFHEROGOASDLL-ZDUSSCGKSA-N	-1	1	313.401	3.296	10	0		DGAEMM
CC[C@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1	ZINC000117422446	431562124	/nfs/dbraw/zinc/56/21/24/431562124.db2.gz	WHFHEROGOASDLL-ZDUSSCGKSA-N	-1	1	313.401	3.296	10	0		DGAEMM
O=c1ccc2ccc(Oc3cc4ccc([O-])cc4oc3=O)cc2o1	ZINC000015149389	431603497	/nfs/dbraw/zinc/60/34/97/431603497.db2.gz	WNLKKLCKMRDNHF-UHFFFAOYSA-N	-1	1	322.272	3.397	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](C)C[C@@H](C)C3)cnc2n1	ZINC000119372765	431683150	/nfs/dbraw/zinc/68/31/50/431683150.db2.gz	JFYIEVOGFVVUBX-VXGBXAGGSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](C)C[C@@H](C)C1)c2=O	ZINC000119372765	431683155	/nfs/dbraw/zinc/68/31/55/431683155.db2.gz	JFYIEVOGFVVUBX-VXGBXAGGSA-N	-1	1	313.401	3.152	10	0		DGAEMM
CC(C)(C)c1nnsc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000087454493	431854829	/nfs/dbraw/zinc/85/48/29/431854829.db2.gz	MFBZVXVKVDSFIZ-UHFFFAOYSA-N	-1	1	311.794	3.447	10	0		DGAEMM
CCC[C@@H](N[C@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-]	ZINC000185037286	432458688	/nfs/dbraw/zinc/45/86/88/432458688.db2.gz	ZEWPZTXRGVKBCO-MLGOLLRUSA-N	-1	1	314.385	3.010	10	0		DGAEMM
CSC1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCC1	ZINC000194006012	432517463	/nfs/dbraw/zinc/51/74/63/432517463.db2.gz	ISWGQAVWZPXXSX-UHFFFAOYSA-N	-1	1	323.842	3.043	10	0		DGAEMM
COC(=O)c1oc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1C	ZINC000188137843	432707488	/nfs/dbraw/zinc/70/74/88/432707488.db2.gz	AFNXSDQLWNQOIZ-UHFFFAOYSA-N	-1	1	320.370	3.040	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCO[C@H](c2ccsc2)C1	ZINC000163397455	432851342	/nfs/dbraw/zinc/85/13/42/432851342.db2.gz	CTDZDQLOPNZLEP-AWEZNQCLSA-N	-1	1	323.801	3.321	10	0		DGAEMM
CC(=O)c1ccc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1	ZINC000341936540	433367100	/nfs/dbraw/zinc/36/71/00/433367100.db2.gz	CPBUAIJLKMGNRX-UHFFFAOYSA-N	-1	1	321.336	3.099	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c([O-])c1	ZINC000408343530	292876251	/nfs/dbraw/zinc/87/62/51/292876251.db2.gz	QJFDOXFQVRJJFZ-NSHDSACASA-N	-1	1	316.323	3.146	10	0		DGAEMM
COC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1	ZINC000436661057	434062052	/nfs/dbraw/zinc/06/20/52/434062052.db2.gz	UXYUJBNPVBGICE-AWEZNQCLSA-N	-1	1	305.761	3.163	10	0		DGAEMM
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)c([O-])c1	ZINC000403612122	434505385	/nfs/dbraw/zinc/50/53/85/434505385.db2.gz	JAHWZGRVQCOSPT-INTQDDNPSA-N	-1	1	310.191	3.073	10	0		DGAEMM
CC(C)(NC(=O)c1ccc(Br)c([O-])c1)C1CCC1	ZINC000398152955	434455809	/nfs/dbraw/zinc/45/58/09/434455809.db2.gz	FEVNQKOWFHVXMM-UHFFFAOYSA-N	-1	1	312.207	3.463	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)c([O-])c1	ZINC000408223041	434553807	/nfs/dbraw/zinc/55/38/07/434553807.db2.gz	HZCJXGWZGSJTJE-AAEUAGOBSA-N	-1	1	300.358	3.302	10	0		DGAEMM
O=C(N[C@H]1CCCOc2c(Cl)cccc21)c1cncc([O-])c1	ZINC000182643627	323307696	/nfs/dbraw/zinc/30/76/96/323307696.db2.gz	KJFORZFTGCAVQG-AWEZNQCLSA-N	-1	1	318.760	3.084	10	0		DGAEMM
CC(C)[C@H](C)CNC(=O)c1ccc(Br)c([O-])c1	ZINC000179404258	528949735	/nfs/dbraw/zinc/94/97/35/528949735.db2.gz	WCSKYMZLBKSYKZ-SECBINFHSA-N	-1	1	300.196	3.177	10	0		DGAEMM
CN(C[C@H]1CCCO1)Cn1c(CCC2CCCC2)n[n-]c1=S	ZINC000151753659	620472576	/nfs/dbraw/zinc/47/25/76/620472576.db2.gz	IMDARGDMZVQXTC-CQSZACIVSA-N	-1	1	324.494	3.132	10	0		DGAEMM
COc1ccc2[nH]c(C(=O)Nc3nc(Cl)ccc3[O-])cc2c1	ZINC000194580820	656202254	/nfs/dbraw/zinc/20/22/54/656202254.db2.gz	DYZGZLMEXCKYEM-UHFFFAOYSA-N	-1	1	317.732	3.183	10	0		DGAEMM
CCCCCC[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000074273629	661252958	/nfs/dbraw/zinc/25/29/58/661252958.db2.gz	XLRYBGLIZPIVAF-LBPRGKRZSA-N	-1	1	301.390	3.012	10	0		DGAEMM
O=C(Nc1nc(Cl)ccc1[O-])c1c(F)cccc1Cl	ZINC000188374462	661927951	/nfs/dbraw/zinc/92/79/51/661927951.db2.gz	OELQRZIJZPDFKO-UHFFFAOYSA-N	-1	1	301.104	3.485	10	0		DGAEMM
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]O[C@@H]2CCCCO2)cc1	ZINC000076985188	662014279	/nfs/dbraw/zinc/01/42/79/662014279.db2.gz	BNOVYTYPUZAXMK-GVDBMIGSSA-N	-1	1	303.402	3.488	10	0		DGAEMM
CC(C)(NC(=O)c1ccc(Br)cc1[O-])C1CCC1	ZINC000398186692	1176784774	/nfs/dbraw/zinc/78/47/74/1176784774.db2.gz	QEDDDMDENRJNQL-UHFFFAOYSA-N	-1	1	312.207	3.463	10	0		DGAEMM
CC[C@H](C)[C@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044491006	1194282766	/nfs/dbraw/zinc/28/27/66/1194282766.db2.gz	BEMZDCRNQFFUTM-IUCAKERBSA-N	-1	1	300.196	3.319	10	0		DGAEMM
O=C(NCCOCc1ccccc1)c1cc2ccccc2cc1[O-]	ZINC000390372509	1197713048	/nfs/dbraw/zinc/71/30/48/1197713048.db2.gz	KGNFBPTZLMTYOK-UHFFFAOYSA-N	-1	1	321.376	3.492	10	0		DGAEMM
O=C([O-])CCN(Cc1nc2ccccc2o1)Cc1ccccc1	ZINC000692437383	976476751	/nfs/dbraw/zinc/47/67/51/976476751.db2.gz	SFOVFMGIMCQOLK-UHFFFAOYSA-N	-1	1	310.353	3.305	10	0		DGAEMM
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cccc1F	ZINC000163823062	197650335	/nfs/dbraw/zinc/65/03/35/197650335.db2.gz	SMTGYWHKOPDOHG-IUCAKERBSA-N	-1	1	305.271	3.382	10	0		DGAEMM
CC(C)Oc1cccnc1C(=O)Nc1ccc([O-])c(Cl)c1	ZINC000129655215	432007732	/nfs/dbraw/zinc/00/77/32/432007732.db2.gz	LVNFLACNGNOJOX-UHFFFAOYSA-N	-1	1	306.749	3.480	10	0		DGAEMM
CSc1nc(=O)[n-]c(C)c1C(=O)N1CCC(C(C)(C)C)CC1	ZINC000081755161	192320027	/nfs/dbraw/zinc/32/00/27/192320027.db2.gz	SRTPJAJTYQFAFP-UHFFFAOYSA-N	-1	1	323.462	3.111	10	0		DGAEMM
O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)ccc(F)c1F	ZINC000186965615	200039536	/nfs/dbraw/zinc/03/95/36/200039536.db2.gz	FTIUJPZCWBXYCN-UHFFFAOYSA-N	-1	1	324.306	3.453	10	0		DGAEMM
CC(C)(C)c1noc(CSc2nc(C3CC3)cc(=O)[n-]2)n1	ZINC000188137771	200199938	/nfs/dbraw/zinc/19/99/38/200199938.db2.gz	UCJOOTNQVBODNE-UHFFFAOYSA-N	-1	1	306.391	3.032	10	0		DGAEMM
C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435429578	238305887	/nfs/dbraw/zinc/30/58/87/238305887.db2.gz	XYYIBPHGMRFADC-NKWVEPMBSA-N	-1	1	312.193	3.067	10	0		DGAEMM
O=C(c1ccc([O-])cc1F)N1CCCC[C@@H]1c1nccs1	ZINC000181242310	296221821	/nfs/dbraw/zinc/22/18/21/296221821.db2.gz	CFDROYVWOMPSAB-CYBMUJFWSA-N	-1	1	306.362	3.355	10	0		DGAEMM
Cc1cnc(CCN(C)C(=O)c2cc(Cl)ccc2[O-])s1	ZINC000119860606	195051535	/nfs/dbraw/zinc/05/15/35/195051535.db2.gz	CHNXVSGOSMIMNY-UHFFFAOYSA-N	-1	1	310.806	3.125	10	0		DGAEMM
CCOC(=O)C1=C([O-])c2ccc(Cl)cc2[C@@](C)(CC)C1=O	ZINC000116701595	400412057	/nfs/dbraw/zinc/41/20/57/400412057.db2.gz	WCZSBMNQTXXGQS-MRXNPFEDSA-N	-1	1	308.761	3.423	10	0		DGAEMM
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000253543443	401099439	/nfs/dbraw/zinc/09/94/39/401099439.db2.gz	DJZDGRQGRZTJMP-TYNCELHUSA-N	-1	1	311.385	3.129	10	0		DGAEMM
Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000358787996	286154439	/nfs/dbraw/zinc/15/44/39/286154439.db2.gz	UPYXSRVPGNBXFX-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
CC(C)c1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)[nH]n1	ZINC000137279684	432176009	/nfs/dbraw/zinc/17/60/09/432176009.db2.gz	QXDZTDOUBHNALX-UHFFFAOYSA-N	-1	1	317.773	3.126	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000131941874	196212599	/nfs/dbraw/zinc/21/25/99/196212599.db2.gz	LGCBOIDVSXKFBK-UHFFFAOYSA-N	-1	1	321.380	3.288	10	0		DGAEMM
O=C(Nc1nc(-c2ccccn2)cs1)c1cc(F)ccc1[O-]	ZINC000175184482	228297740	/nfs/dbraw/zinc/29/77/40/228297740.db2.gz	LAWOIUCZKMNIRH-UHFFFAOYSA-N	-1	1	315.329	3.302	10	0		DGAEMM
O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1F	ZINC000111358736	431216179	/nfs/dbraw/zinc/21/61/79/431216179.db2.gz	JDHWRXNSARFUHG-JSGCOSHPSA-N	-1	1	323.364	3.047	10	0		DGAEMM
COc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2[O-])cc1OC	ZINC000081943309	431800936	/nfs/dbraw/zinc/80/09/36/431800936.db2.gz	FWUCCIDWYGZMGG-SNVBAGLBSA-N	-1	1	319.332	3.040	10	0		DGAEMM
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000174535936	432355306	/nfs/dbraw/zinc/35/53/06/432355306.db2.gz	WJMGEGSBGDBTTM-INIZCTEOSA-N	-1	1	312.413	3.102	10	0		DGAEMM
COCc1csc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1	ZINC000192231033	432347211	/nfs/dbraw/zinc/34/72/11/432347211.db2.gz	JUFPLGIMYJMNQM-UHFFFAOYSA-N	-1	1	313.766	3.293	10	0		DGAEMM
O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nccs2)C1	ZINC000175218221	432412304	/nfs/dbraw/zinc/41/23/04/432412304.db2.gz	HEUBOUCCIAUSBA-SNVBAGLBSA-N	-1	1	306.362	3.008	10	0		DGAEMM
CCc1noc(C)c1[N-]C(=O)c1csc(C(F)(F)F)n1	ZINC000193234758	432459000	/nfs/dbraw/zinc/45/90/00/432459000.db2.gz	DCNUBCSXCKLLCQ-UHFFFAOYSA-N	-1	1	305.281	3.273	10	0		DGAEMM
CC(C)[C@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000231350404	432730021	/nfs/dbraw/zinc/73/00/21/432730021.db2.gz	ARQMVJWQUDFGQO-NSHDSACASA-N	-1	1	312.207	3.273	10	0		DGAEMM
O=S(=O)(Cc1ccccc1)c1ncc(-c2ccc(F)cc2)[n-]1	ZINC000447484692	433204638	/nfs/dbraw/zinc/20/46/38/433204638.db2.gz	VEMSHQBXOSRXJD-UHFFFAOYSA-N	-1	1	316.357	3.190	10	0		DGAEMM
O=S(=O)(Cc1ccccc1)c1nc(-c2ccc(F)cc2)c[n-]1	ZINC000447484692	433204644	/nfs/dbraw/zinc/20/46/44/433204644.db2.gz	VEMSHQBXOSRXJD-UHFFFAOYSA-N	-1	1	316.357	3.190	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCC=C(Br)C1	ZINC000282087122	433489900	/nfs/dbraw/zinc/48/99/00/433489900.db2.gz	DJXSELSDLXOPTQ-UHFFFAOYSA-N	-1	1	316.582	3.170	10	0		DGAEMM
COC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1	ZINC000436577725	434019101	/nfs/dbraw/zinc/01/91/01/434019101.db2.gz	VBUCXBCBZIYPFS-AWEZNQCLSA-N	-1	1	323.751	3.302	10	0		DGAEMM
CC(F)(F)CCCNC(=O)c1ccc(Br)c([O-])c1	ZINC000390307975	434357188	/nfs/dbraw/zinc/35/71/88/434357188.db2.gz	XKLCUESQYYLNRR-UHFFFAOYSA-N	-1	1	322.149	3.320	10	0		DGAEMM
CCc1ccc([C@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1	ZINC000899965809	619386502	/nfs/dbraw/zinc/38/65/02/619386502.db2.gz	WZZIJLVSQRHFQB-NSHDSACASA-N	-1	1	311.385	3.113	10	0		DGAEMM
CC[C@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nccs1	ZINC000185100277	660201881	/nfs/dbraw/zinc/20/18/81/660201881.db2.gz	MDDHVYOMMRKEAH-ZDUSSCGKSA-N	-1	1	316.382	3.196	10	0		DGAEMM
O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(F)ccc1O	ZINC000177680875	655615831	/nfs/dbraw/zinc/61/58/31/655615831.db2.gz	TUJQNKUJDCSYKO-BQYQJAHWSA-N	-1	1	311.309	3.083	10	0		DGAEMM
Cc1nc(CC2CC2)sc1C(=O)Nc1nc(Cl)ccc1[O-]	ZINC000194576266	656201922	/nfs/dbraw/zinc/20/19/22/656201922.db2.gz	SWJFWEFASNRSSC-UHFFFAOYSA-N	-1	1	323.805	3.410	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2ccc([N+](=O)[O-])c(F)c2)[n-]1	ZINC000195083573	656208821	/nfs/dbraw/zinc/20/88/21/656208821.db2.gz	HEMRKLJUORZGSU-UHFFFAOYSA-N	-1	1	321.333	3.399	10	0		DGAEMM
Cc1c(F)cccc1-c1ccc(CN2CCC[C@H]2C(=O)[O-])o1	ZINC000263423283	658228583	/nfs/dbraw/zinc/22/85/83/658228583.db2.gz	PPNANVNRVLVNID-HNNXBMFYSA-N	-1	1	303.333	3.443	10	0		DGAEMM
C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cscc1C(F)(F)F	ZINC000263112225	1204334708	/nfs/dbraw/zinc/33/47/08/1204334708.db2.gz	YVPLZYRYLQDGPC-PSASIEDQSA-N	-1	1	307.337	3.452	10	0		DGAEMM
CCOc1ccc2c3nn(-c4ccccc4)c(=O)c-3c[n-]c2c1	ZINC000072237165	191080552	/nfs/dbraw/zinc/08/05/52/191080552.db2.gz	MYUYFTMJZONQEG-UHFFFAOYSA-N	-1	1	305.337	3.266	10	0		DGAEMM
Cc1cc(C)cc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1	ZINC000107324975	432030046	/nfs/dbraw/zinc/03/00/46/432030046.db2.gz	NEIHSHCFSKBIEO-ZDUSSCGKSA-N	-1	1	321.380	3.031	10	0		DGAEMM
O=C([N-]c1ncn(C2CCCCC2)n1)c1c(F)cc(F)cc1F	ZINC000182683959	199474409	/nfs/dbraw/zinc/47/44/09/199474409.db2.gz	PWUVKAXSEJIIIR-UHFFFAOYSA-N	-1	1	324.306	3.453	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(SCc2cccc(F)c2)[n-]1	ZINC000005155164	181210802	/nfs/dbraw/zinc/21/08/02/181210802.db2.gz	MAXPTLOFEQTOMM-UHFFFAOYSA-N	-1	1	304.268	3.220	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)[nH]n1	ZINC000135043517	432096389	/nfs/dbraw/zinc/09/63/89/432096389.db2.gz	NUBBWYFGSCEAGB-UHFFFAOYSA-N	-1	1	307.419	3.286	10	0		DGAEMM
O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)cc1F	ZINC000195079802	201337218	/nfs/dbraw/zinc/33/72/18/201337218.db2.gz	HHZCQSKMBAAPCV-UHFFFAOYSA-N	-1	1	322.336	3.313	10	0		DGAEMM
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([O-])cc2F)c1	ZINC000181061657	432112467	/nfs/dbraw/zinc/11/24/67/432112467.db2.gz	OGGZOZFDSNREOJ-JTQLQIEISA-N	-1	1	319.332	3.040	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2ccc(Cl)c(F)c2)[n-]1	ZINC000092215318	193174249	/nfs/dbraw/zinc/17/42/49/193174249.db2.gz	KBIOVWZIKHBJAU-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
O=C(N=c1cc(-c2cccc(F)c2F)[n-][nH]1)[C@H]1[C@@H]2CCCC[C@@H]21	ZINC000473648983	244343398	/nfs/dbraw/zinc/34/33/98/244343398.db2.gz	BGEQTZVXNMNABC-RTUWITSCSA-N	-1	1	317.339	3.152	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C)ccc3F)ccc12	ZINC000093909572	193327398	/nfs/dbraw/zinc/32/73/98/193327398.db2.gz	PCRTVIOCJZNQDA-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
COc1cccc(F)c1[C@H](C)NC(=O)c1c([O-])cccc1F	ZINC000126484783	284306648	/nfs/dbraw/zinc/30/66/48/284306648.db2.gz	JXRCWZWIGRESLB-VIFPVBQESA-N	-1	1	307.296	3.170	10	0		DGAEMM
Cc1cnn([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1	ZINC000105885789	194157265	/nfs/dbraw/zinc/15/72/65/194157265.db2.gz	KRWDNCFZSGZBMK-CYBMUJFWSA-N	-1	1	319.792	3.028	10	0		DGAEMM
CC[C@]1(C(=O)[O-])CCN(Cc2csc(Br)c2)C1	ZINC000062937009	184261037	/nfs/dbraw/zinc/26/10/37/184261037.db2.gz	ZSUPDKYJEXVJIS-LBPRGKRZSA-N	-1	1	318.236	3.197	10	0		DGAEMM
Cc1cccc(-c2n[n-]c(=S)n2CC(=O)N[C@H](C)C(C)C)c1	ZINC000017056414	400176665	/nfs/dbraw/zinc/17/66/65/400176665.db2.gz	KARVJWKMQNXGJX-GFCCVEGCSA-N	-1	1	318.446	3.077	10	0		DGAEMM
Cc1ccc(-c2nc(C(=O)[N-]c3nncs3)cs2)cc1	ZINC000021214784	400192013	/nfs/dbraw/zinc/19/20/13/400192013.db2.gz	UXMIJUQVWWPGJP-UHFFFAOYSA-N	-1	1	302.384	3.222	10	0		DGAEMM
O=C([O-])C[C@@H]1CCCN1CCOc1c(Cl)cccc1Cl	ZINC000042162426	400426036	/nfs/dbraw/zinc/42/60/36/400426036.db2.gz	QOWAJCUWZMUZQM-JTQLQIEISA-N	-1	1	318.200	3.311	10	0		DGAEMM
C=C[C@H](C)OC(C(=O)OC(C)(C)C)=C([O-])c1ccccc1F	ZINC000142839411	400632293	/nfs/dbraw/zinc/63/22/93/400632293.db2.gz	KGLLLFAJIAUYMA-NHYWBVRUSA-N	-1	1	308.349	3.310	10	0		DGAEMM
C=CCN(CC=C)C/C(=N/[O-])c1cc(Br)cs1	ZINC000150256254	400664771	/nfs/dbraw/zinc/66/47/71/400664771.db2.gz	CMJYYKLHCRVULD-KAMYIIQDSA-N	-1	1	315.236	3.363	10	0		DGAEMM
C[C@H](C(=O)[O-])N(Cc1ccc(F)cc1Br)C1CC1	ZINC000263374435	289388286	/nfs/dbraw/zinc/38/82/86/289388286.db2.gz	ZXARTPISQXYTKT-MRVPVSSYSA-N	-1	1	316.170	3.026	10	0		DGAEMM
CC(C)c1nnc([N-]C(=O)c2snnc2C(C)(C)C)s1	ZINC000188993091	165145327	/nfs/dbraw/zinc/14/53/27/165145327.db2.gz	ITJKDYFEEURSJB-UHFFFAOYSA-N	-1	1	311.436	3.063	10	0		DGAEMM
O=C(c1ccc2ccccc2c1[O-])N1CCC(c2cc[nH]n2)CC1	ZINC000131948141	196212488	/nfs/dbraw/zinc/21/24/88/196212488.db2.gz	TWLAVSJGGWBMNG-UHFFFAOYSA-N	-1	1	321.380	3.288	10	0		DGAEMM
CC(C)[C@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1	ZINC000228296485	263842168	/nfs/dbraw/zinc/84/21/68/263842168.db2.gz	HQAPFWWITGAHDQ-JTQLQIEISA-N	-1	1	312.207	3.273	10	0		DGAEMM
CC[C@@H]1CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1	ZINC000117422442	431563891	/nfs/dbraw/zinc/56/38/91/431563891.db2.gz	WHFHEROGOASDLL-CYBMUJFWSA-N	-1	1	313.401	3.296	10	0		DGAEMM
CC[C@@H]1CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1	ZINC000117422442	431563898	/nfs/dbraw/zinc/56/38/98/431563898.db2.gz	WHFHEROGOASDLL-CYBMUJFWSA-N	-1	1	313.401	3.296	10	0		DGAEMM
Cc1ccc(CN(C)C(=O)c2cnc3nc(C)ccc3c2[O-])cc1	ZINC000192729476	432407121	/nfs/dbraw/zinc/40/71/21/432407121.db2.gz	KUPONFKMJBBEPP-UHFFFAOYSA-N	-1	1	321.380	3.224	10	0		DGAEMM
Cc1ccc(CN(C)C(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1	ZINC000192729476	432407124	/nfs/dbraw/zinc/40/71/24/432407124.db2.gz	KUPONFKMJBBEPP-UHFFFAOYSA-N	-1	1	321.380	3.224	10	0		DGAEMM
CCc1ccc([C@H]2CCCCN2C(=O)c2cncc([O-])c2)o1	ZINC000175661569	432454952	/nfs/dbraw/zinc/45/49/52/432454952.db2.gz	AIZYVESOPWEWFU-OAHLLOKOSA-N	-1	1	300.358	3.310	10	0		DGAEMM
CC(C)C[C@H](CO)N(C)C(=O)c1cc2ccccc2cc1[O-]	ZINC000186653009	432618172	/nfs/dbraw/zinc/61/81/72/432618172.db2.gz	CTKSWKSEPPVEAA-OAHLLOKOSA-N	-1	1	301.386	3.024	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C)s1	ZINC000132945625	312655515	/nfs/dbraw/zinc/65/55/15/312655515.db2.gz	VMGWVKBIQQVGNY-UHFFFAOYSA-N	-1	1	309.412	3.196	10	0		DGAEMM
O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cncc([O-])c1	ZINC000171861748	312733310	/nfs/dbraw/zinc/73/33/10/312733310.db2.gz	PACBLKQSXMNFQP-OAHLLOKOSA-N	-1	1	302.761	3.322	10	0		DGAEMM
Cc1ccc([C@@H]2CCCCN2Cc2cnc(C(=O)[O-])cn2)cc1	ZINC000530162684	313329828	/nfs/dbraw/zinc/32/98/28/313329828.db2.gz	QYZPDCGXYNVFDP-KRWDZBQOSA-N	-1	1	311.385	3.210	10	0		DGAEMM
COC1CC(Sc2nc(-c3ccccc3)c(C)c(=O)[n-]2)C1	ZINC000569785665	315603230	/nfs/dbraw/zinc/60/32/30/315603230.db2.gz	XRYUEVZEYMAKSG-UHFFFAOYSA-N	-1	1	302.399	3.427	10	0		DGAEMM
Cc1ccc(F)c(-c2c([O-])[nH]c3nccnc3c2=O)c1Cl	ZINC000584652694	337381161	/nfs/dbraw/zinc/38/11/61/337381161.db2.gz	KHPPDOHUEQWBSA-UHFFFAOYSA-N	-1	1	305.696	3.204	10	0		DGAEMM
C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435429579	533728978	/nfs/dbraw/zinc/72/89/78/533728978.db2.gz	XYYIBPHGMRFADC-RNFRBKRXSA-N	-1	1	312.193	3.067	10	0		DGAEMM
CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCCC2	ZINC000181231439	528070958	/nfs/dbraw/zinc/07/09/58/528070958.db2.gz	MZDUTILMIYHJPH-CVEARBPZSA-N	-1	1	321.392	3.341	10	0		DGAEMM
O=C(Nc1c([O-])cccc1F)c1occc1Br	ZINC000081781734	545773366	/nfs/dbraw/zinc/77/33/66/545773366.db2.gz	SNLXKJUOZPKBLP-UHFFFAOYSA-N	-1	1	300.083	3.139	10	0		DGAEMM
O=C(Nc1nc(Cl)ccc1[O-])c1coc(Br)c1	ZINC000194578773	656202435	/nfs/dbraw/zinc/20/24/35/656202435.db2.gz	YJFZWPJVHKBIPB-UHFFFAOYSA-N	-1	1	317.526	3.048	10	0		DGAEMM
Cc1cnc(SCc2nc(Cl)ccc2Cl)[n-]c1=O	ZINC000381426494	1177367845	/nfs/dbraw/zinc/36/78/45/1177367845.db2.gz	DTLCMJOYJYDKCC-UHFFFAOYSA-N	-1	1	302.186	3.485	10	0		DGAEMM
O=C([N-]Cc1nc(-c2ccccc2)cs1)C(F)(F)C(F)F	ZINC000176051424	1203923925	/nfs/dbraw/zinc/92/39/25/1203923925.db2.gz	LLKNCOQMCBHKTG-UHFFFAOYSA-N	-1	1	318.295	3.327	10	0		DGAEMM
C[C@H](C(=O)[N-]OCc1ccc(C(F)(F)F)cc1)c1cccnc1	ZINC000155766524	186110655	/nfs/dbraw/zinc/11/06/55/186110655.db2.gz	UGULIZOGGWKQMQ-NSHDSACASA-N	-1	1	324.302	3.452	10	0		DGAEMM
CCc1noc(C)c1[N-]C(=O)c1cnc(-c2ccccn2)s1	ZINC000132864877	432055129	/nfs/dbraw/zinc/05/51/29/432055129.db2.gz	UNGUMYMHVRYXAF-UHFFFAOYSA-N	-1	1	314.370	3.316	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2cc(F)ccc2Cl)[n-]1	ZINC000092215717	284005516	/nfs/dbraw/zinc/00/55/16/284005516.db2.gz	RQCKVOWOJLKDOG-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2nccs2)C1	ZINC000181221111	432119166	/nfs/dbraw/zinc/11/91/66/432119166.db2.gz	VUFRYVAPZQERCJ-JTQLQIEISA-N	-1	1	306.362	3.008	10	0		DGAEMM
Cc1ccc(F)cc1[N-]S(=O)(=O)c1cccc2ncccc21	ZINC000120007391	284158502	/nfs/dbraw/zinc/15/85/02/284158502.db2.gz	KFZVWFDLURQCKU-UHFFFAOYSA-N	-1	1	316.357	3.483	10	0		DGAEMM
CC(C)(C)c1ccccc1[N-]S(=O)(=O)c1cccc(O)c1	ZINC000019733674	182139361	/nfs/dbraw/zinc/13/93/61/182139361.db2.gz	JGDWXIFLYREFLF-UHFFFAOYSA-N	-1	1	305.399	3.491	10	0		DGAEMM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccc(O)c1	ZINC000019733672	182139431	/nfs/dbraw/zinc/13/94/31/182139431.db2.gz	LADAGJAGQXROBT-UHFFFAOYSA-N	-1	1	305.399	3.318	10	0		DGAEMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(N)cc2Cl)s1	ZINC000021517074	182277376	/nfs/dbraw/zinc/27/73/76/182277376.db2.gz	DQSPYTZLDHKLQQ-UHFFFAOYSA-N	-1	1	302.808	3.093	10	0		DGAEMM
O=C(c1ccc2ccccc2n1)c1nc2ccccc2c(=O)[n-]1	ZINC000504242557	257132560	/nfs/dbraw/zinc/13/25/60/257132560.db2.gz	PWKUDDRANBQEKU-UHFFFAOYSA-N	-1	1	301.305	3.115	10	0		DGAEMM
Nc1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1Cl	ZINC000034955814	400386682	/nfs/dbraw/zinc/38/66/82/400386682.db2.gz	OGXOVYYWCFUOBL-UHFFFAOYSA-N	-1	1	317.197	3.376	10	0		DGAEMM
CC[C@@H]1CCc2c(sc3nc(-c4ccon4)[n-]c(=O)c23)C1	ZINC000074797448	400537609	/nfs/dbraw/zinc/53/76/09/400537609.db2.gz	HOCRBOITXDMHHA-MRVPVSSYSA-N	-1	1	301.371	3.155	10	0		DGAEMM
CCc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1F	ZINC000151436794	432245411	/nfs/dbraw/zinc/24/54/11/432245411.db2.gz	JEBAKFRUJMAIBN-UHFFFAOYSA-N	-1	1	321.373	3.392	10	0		DGAEMM
CCc1cnc(CCNC(=O)c2ccc(Cl)cc2[O-])s1	ZINC000075181739	431460178	/nfs/dbraw/zinc/46/01/78/431460178.db2.gz	JZOFDCZZGPHVIU-UHFFFAOYSA-N	-1	1	310.806	3.037	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(C)s1	ZINC000026543880	431679104	/nfs/dbraw/zinc/67/91/04/431679104.db2.gz	WORPGXBCMIVLOS-UHFFFAOYSA-N	-1	1	309.412	3.101	10	0		DGAEMM
Cc1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])o1	ZINC000044490665	431874150	/nfs/dbraw/zinc/87/41/50/431874150.db2.gz	CZOBJNJCWBAOIN-UHFFFAOYSA-N	-1	1	324.174	3.328	10	0		DGAEMM
CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCCC2	ZINC000091732912	431905025	/nfs/dbraw/zinc/90/50/25/431905025.db2.gz	IHSIFYHRYFRSFV-HZPDHXFCSA-N	-1	1	321.392	3.341	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2cncc([O-])c2)[C@H]1c1cccc(F)c1	ZINC000175388220	432430675	/nfs/dbraw/zinc/43/06/75/432430675.db2.gz	GSTOBCFJCSOCCK-BDJLRTHQSA-N	-1	1	300.333	3.150	10	0		DGAEMM
Cc1csc([C@@H]2CCCN(C(=O)c3cc(F)ccc3[O-])C2)n1	ZINC000175257601	432416989	/nfs/dbraw/zinc/41/69/89/432416989.db2.gz	KIXYLECLNPISQA-LLVKDONJSA-N	-1	1	320.389	3.316	10	0		DGAEMM
O=S(=O)([N-]CCc1ccsc1)c1c(F)cccc1Cl	ZINC000185442164	432500413	/nfs/dbraw/zinc/50/04/13/432500413.db2.gz	JYPGUYAUKLNSKJ-UHFFFAOYSA-N	-1	1	319.810	3.062	10	0		DGAEMM
O=C(NCc1ccccc1OC1CCC1)c1ccc([O-])cc1F	ZINC000154905957	432527369	/nfs/dbraw/zinc/52/73/69/432527369.db2.gz	BLAUBPJUDTZNDO-UHFFFAOYSA-N	-1	1	315.344	3.393	10	0		DGAEMM
COc1cnccc1[C@@H](C)NC(=O)c1cc2ccccc2cc1[O-]	ZINC000189600135	432803412	/nfs/dbraw/zinc/80/34/12/432803412.db2.gz	UEYMKCRIHQNBAR-GFCCVEGCSA-N	-1	1	322.364	3.440	10	0		DGAEMM
C[C@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](c2ccco2)C1	ZINC000436702227	434074343	/nfs/dbraw/zinc/07/43/43/434074343.db2.gz	HJUIBFHVWZXNTA-SWLSCSKDSA-N	-1	1	313.353	3.168	10	0		DGAEMM
CO[C@@H](C)c1nc(=NC2CCC(CSC)CC2)s[n-]1	ZINC000385445582	434300934	/nfs/dbraw/zinc/30/09/34/434300934.db2.gz	IEQDGJFLUXOURE-WHXUTIOJSA-N	-1	1	301.481	3.001	10	0		DGAEMM
O=C(NCCC1(F)CCC1)c1ccc(Br)c([O-])c1	ZINC000360223202	434552689	/nfs/dbraw/zinc/55/26/89/434552689.db2.gz	YPJPRQUHIANLCE-UHFFFAOYSA-N	-1	1	316.170	3.167	10	0		DGAEMM
C[C@@H]1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1	ZINC000183082893	297213046	/nfs/dbraw/zinc/21/30/46/297213046.db2.gz	GBKIJRLPWVXZEJ-HTQZYQBOSA-N	-1	1	304.316	3.224	10	0		DGAEMM
[O-]c1ccc(-c2nc(-c3ccc(OC(F)F)cn3)no2)c(F)c1	ZINC000445510160	434807638	/nfs/dbraw/zinc/80/76/38/434807638.db2.gz	XHGSDYWFQFPGAA-UHFFFAOYSA-N	-1	1	323.230	3.245	10	0		DGAEMM
[O-]c1ccc(F)cc1-c1nc(-c2ccc(OC(F)F)cn2)no1	ZINC000445517761	434809425	/nfs/dbraw/zinc/80/94/25/434809425.db2.gz	GYNZVVCJBUNQHT-UHFFFAOYSA-N	-1	1	323.230	3.245	10	0		DGAEMM
CCCCCC[C@@](C)(CC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000361217459	434831555	/nfs/dbraw/zinc/83/15/55/434831555.db2.gz	NMNVYGJFNOHMAZ-WMLDXEAASA-N	-1	1	321.469	3.292	10	0		DGAEMM
Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc(F)c3F)c2)c1	ZINC000462336181	434909529	/nfs/dbraw/zinc/90/95/29/434909529.db2.gz	AKXHYTVZNLZDDK-UHFFFAOYSA-N	-1	1	314.291	3.396	10	0		DGAEMM
Cc1ccc(-c2noc(=NCc3nc4ccc(C)cc4[nH]3)[n-]2)cc1	ZINC000484889115	435555584	/nfs/dbraw/zinc/55/55/84/435555584.db2.gz	KVYADBUUBAUPGE-UHFFFAOYSA-N	-1	1	319.368	3.264	10	0		DGAEMM
Cc1cnc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)c([O-])c1	ZINC000548303478	314436832	/nfs/dbraw/zinc/43/68/32/314436832.db2.gz	YDSXTAFZBZVDSD-MRXNPFEDSA-N	-1	1	308.381	3.388	10	0		DGAEMM
CC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCCC1	ZINC000183058723	323322855	/nfs/dbraw/zinc/32/28/55/323322855.db2.gz	DIQQGYLZJCYMRM-UHFFFAOYSA-N	-1	1	313.401	3.013	10	0		DGAEMM
CN(C[C@@H]1CCCO1)Cn1c(CCC2CCCC2)n[n-]c1=S	ZINC000151753570	620472610	/nfs/dbraw/zinc/47/26/10/620472610.db2.gz	IMDARGDMZVQXTC-AWEZNQCLSA-N	-1	1	324.494	3.132	10	0		DGAEMM
O=S(=O)([N-]c1cccnc1Cl)c1c(F)cccc1Cl	ZINC000125280611	623412439	/nfs/dbraw/zinc/41/24/39/623412439.db2.gz	APVPFXAZFYKLTL-UHFFFAOYSA-N	-1	1	321.160	3.328	10	0		DGAEMM
CC(C)(C)Cc1cc([N-]S(=O)(=O)C=Cc2ccccc2)n[nH]1	ZINC000126757528	624066961	/nfs/dbraw/zinc/06/69/61/624066961.db2.gz	XVRSFZUENWFDOR-MDZDMXLPSA-N	-1	1	319.430	3.411	10	0		DGAEMM
CC(C)Oc1ncccc1[N-]S(=O)(=O)/C=C/c1ccccc1	ZINC000121817477	655781938	/nfs/dbraw/zinc/78/19/38/655781938.db2.gz	YESZYKYKBIKIJH-ZRDIBKRKSA-N	-1	1	318.398	3.281	10	0		DGAEMM
Cc1cc(C)c(C=CS(=O)(=O)[N-]c2cccc(C)n2)c(C)c1	ZINC000096137167	657507572	/nfs/dbraw/zinc/50/75/72/657507572.db2.gz	WTGMDEDUYFSNTK-HJWRWDBZSA-N	-1	1	316.426	3.150	10	0		DGAEMM
O=C(Nc1c([O-])cccc1F)c1cc(Cl)ncc1Cl	ZINC000156886342	658954647	/nfs/dbraw/zinc/95/46/47/658954647.db2.gz	RPWYQHOVDXAXOE-UHFFFAOYSA-N	-1	1	301.104	3.485	10	0		DGAEMM
Cc1cc(C)c(/C=C\S(=O)(=O)[N-]c2ccccn2)c(C)c1	ZINC000224113339	659010864	/nfs/dbraw/zinc/01/08/64/659010864.db2.gz	COUNSCADBIIPMZ-CLFYSBASSA-N	-1	1	302.399	3.419	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Cl)cc1F	ZINC000182413155	660052013	/nfs/dbraw/zinc/05/20/13/660052013.db2.gz	RDLBWWHASBRWQJ-UHFFFAOYSA-N	-1	1	315.753	3.294	10	0		DGAEMM
O=C([N-]c1c(F)cccc1F)c1nscc1Br	ZINC000404813494	1199585981	/nfs/dbraw/zinc/58/59/81/1199585981.db2.gz	MFYJLYTXZZPWPF-UHFFFAOYSA-N	-1	1	319.130	3.436	10	0		DGAEMM
C[C@@H]1[C@H](C(=O)[O-])CCC[N@H+]1Cc1ccc(OC(F)F)c(F)c1	ZINC000263043499	1204334150	/nfs/dbraw/zinc/33/41/50/1204334150.db2.gz	JJYCCFOAMIIDRE-MWLCHTKSSA-N	-1	1	317.307	3.112	10	0		DGAEMM
O=S(=O)(/C=C\c1ccc(F)cc1)[N-]c1cccc(Cl)n1	ZINC000588511740	1082520800	/nfs/dbraw/zinc/52/08/00/1082520800.db2.gz	YTNYVWNCXSWHGB-HJWRWDBZSA-N	-1	1	312.753	3.287	10	0		DGAEMM
Cc1ccc(C=CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1	ZINC000255555621	1087049667	/nfs/dbraw/zinc/04/96/67/1087049667.db2.gz	CMAZIYGXNYLZEL-IHWYPQMZSA-N	-1	1	310.279	3.174	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2cc(C)cnc2Cl)s1	ZINC000230406015	201879677	/nfs/dbraw/zinc/87/96/77/201879677.db2.gz	ZMAQCMDPTUWPSZ-UHFFFAOYSA-N	-1	1	316.835	3.468	10	0		DGAEMM
Cc1ccccc1CSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000005155104	181211005	/nfs/dbraw/zinc/21/10/05/181211005.db2.gz	ZHHSQBWHYYSDKR-UHFFFAOYSA-N	-1	1	300.305	3.389	10	0		DGAEMM
CC(=O)Oc1cccc(-c2nc3c4cccnc4oc3c(=O)[n-]2)c1	ZINC000091301995	193035750	/nfs/dbraw/zinc/03/57/50/193035750.db2.gz	XSYKXUQWNJCURR-UHFFFAOYSA-N	-1	1	321.292	3.069	10	0		DGAEMM
Cc1nc(-c2ccc(NC[C@H](C)C(C)C)nc2)[n-]c(=O)c1C	ZINC000078297219	283861500	/nfs/dbraw/zinc/86/15/00/283861500.db2.gz	CMEIFHVMQVDCMP-NSHDSACASA-N	-1	1	300.406	3.153	10	0		DGAEMM
COc1ccccc1CCN(C)C(=O)c1ccc(Cl)cc1[O-]	ZINC000104906899	284037595	/nfs/dbraw/zinc/03/75/95/284037595.db2.gz	VGLZVSRVAUCUDJ-UHFFFAOYSA-N	-1	1	319.788	3.369	10	0		DGAEMM
COc1ccccc1CCN(C)C(=O)c1cc(Cl)ccc1[O-]	ZINC000104906840	284037772	/nfs/dbraw/zinc/03/77/72/284037772.db2.gz	DBFRTTOXRUIPRI-UHFFFAOYSA-N	-1	1	319.788	3.369	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc12	ZINC000093909332	193327864	/nfs/dbraw/zinc/32/78/64/193327864.db2.gz	BNECEPIRCCPPER-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)c(F)c3)ccc12	ZINC000093909332	193327866	/nfs/dbraw/zinc/32/78/66/193327866.db2.gz	BNECEPIRCCPPER-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2cc(Cl)ccc2C)[nH]n1	ZINC000126552840	284308925	/nfs/dbraw/zinc/30/89/25/284308925.db2.gz	JZWDHHPBQDJFOC-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
Cc1ccc(-c2nc(S(C)(=O)=O)[n-]c2-c2ccccc2)cc1	ZINC000040505107	183085501	/nfs/dbraw/zinc/08/55/01/183085501.db2.gz	HKYYHDFLHLAZTG-UHFFFAOYSA-N	-1	1	312.394	3.456	10	0		DGAEMM
CC(C)Oc1cccnc1C(=O)Nc1ccc(Cl)cc1[O-]	ZINC000153666452	284684480	/nfs/dbraw/zinc/68/44/80/284684480.db2.gz	RLUOIJAMGGEXSM-UHFFFAOYSA-N	-1	1	306.749	3.480	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1	ZINC000253550957	285110916	/nfs/dbraw/zinc/11/09/16/285110916.db2.gz	ITBCBWUXCNBGAB-PJXYFTJBSA-N	-1	1	319.449	3.343	10	0		DGAEMM
CCc1ccc([C@H]2CCCCN2C(=O)c2ncccc2[O-])o1	ZINC000127517768	195884954	/nfs/dbraw/zinc/88/49/54/195884954.db2.gz	KXBSHTIFIIGFDV-CYBMUJFWSA-N	-1	1	300.358	3.310	10	0		DGAEMM
COc1c(C)cc(CN(C)C(=O)c2ccc([O-])cc2F)cc1C	ZINC000181201387	533395608	/nfs/dbraw/zinc/39/56/08/533395608.db2.gz	MJNHUWUYBXPKEN-UHFFFAOYSA-N	-1	1	317.360	3.429	10	0		DGAEMM
CC(C)[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CC1	ZINC000323921682	400178227	/nfs/dbraw/zinc/17/82/27/400178227.db2.gz	VMAWSTCDCNYBHJ-CYBMUJFWSA-N	-1	1	312.207	3.319	10	0		DGAEMM
CSc1nc(Cc2ccc(Br)cc2)cc(=O)[n-]1	ZINC000409429131	400301445	/nfs/dbraw/zinc/30/14/45/400301445.db2.gz	IDWIQGOBPFEOJU-UHFFFAOYSA-N	-1	1	311.204	3.257	10	0		DGAEMM
Cc1ccc(-c2cc(=O)[n-]c(-n3ccc(C(F)(F)F)n3)n2)cc1	ZINC000114134866	400385811	/nfs/dbraw/zinc/38/58/11/400385811.db2.gz	JGLFARUUUKYGLN-UHFFFAOYSA-N	-1	1	320.274	3.362	10	0		DGAEMM
C[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2	ZINC000141436318	400625829	/nfs/dbraw/zinc/62/58/29/400625829.db2.gz	DHZBXIWMDHDZLK-SECBINFHSA-N	-1	1	319.744	3.265	10	0		DGAEMM
C=C[C@H](C)OC(C(=O)OC(C)(C)C)=C([O-])c1ccccc1F	ZINC000142839100	400631984	/nfs/dbraw/zinc/63/19/84/400631984.db2.gz	KGLLLFAJIAUYMA-XHDPSFHLSA-N	-1	1	308.349	3.310	10	0		DGAEMM
CC(=N[O-])c1sc(Cn2cnc(Cl)c2Cl)nc1C	ZINC000257354079	401109985	/nfs/dbraw/zinc/10/99/85/401109985.db2.gz	VOPOMBVUSCQNMU-UHFFFAOYSA-N	-1	1	305.190	3.201	10	0		DGAEMM
COc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1F	ZINC000190762784	432186703	/nfs/dbraw/zinc/18/67/03/432186703.db2.gz	POKDQUWNKRQEDC-UHFFFAOYSA-N	-1	1	320.345	3.116	10	0		DGAEMM
O=C([O-])Cc1ccc2nc(C(=O)c3ccc(Cl)cc3)[nH]c2c1	ZINC000033829375	431817247	/nfs/dbraw/zinc/81/72/47/431817247.db2.gz	JFFLTRZNRVRSQG-UHFFFAOYSA-N	-1	1	314.728	3.074	10	0		DGAEMM
C[C@@H]1C[C@@H](N(C)C(=O)c2cc3ccccc3cc2O)CC[N@H+]1C	ZINC000124514032	431895961	/nfs/dbraw/zinc/89/59/61/431895961.db2.gz	PPYJBEFAZNPQSC-CJNGLKHVSA-N	-1	1	312.413	3.100	10	0		DGAEMM
CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCCC2	ZINC000091732909	431905521	/nfs/dbraw/zinc/90/55/21/431905521.db2.gz	IHSIFYHRYFRSFV-JKSUJKDBSA-N	-1	1	321.392	3.341	10	0		DGAEMM
Cc1ccc(-n2cccn2)cc1NC(=O)c1cc(F)ccc1[O-]	ZINC000191842512	432307750	/nfs/dbraw/zinc/30/77/50/432307750.db2.gz	LPBSWBIPCGCBEW-UHFFFAOYSA-N	-1	1	311.316	3.278	10	0		DGAEMM
Cc1ccc([C@@H]2CN(C(=O)c3cc(Cl)ccc3[O-])CCO2)o1	ZINC000154280147	432487424	/nfs/dbraw/zinc/48/74/24/432487424.db2.gz	OOJXADZMGXHVNH-HNNXBMFYSA-N	-1	1	321.760	3.161	10	0		DGAEMM
CC[C@@H](C)NC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C	ZINC000195087233	432601504	/nfs/dbraw/zinc/60/15/04/432601504.db2.gz	WYMZOVVQRTVYJB-YGRLFVJLSA-N	-1	1	323.462	3.091	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NC1CCC(C)(C)CC1	ZINC000081861145	293196277	/nfs/dbraw/zinc/19/62/77/293196277.db2.gz	GZGZJXURAUSZHG-UHFFFAOYSA-N	-1	1	319.449	3.074	10	0		DGAEMM
COC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(F)cc1	ZINC000436577726	434022905	/nfs/dbraw/zinc/02/29/05/434022905.db2.gz	VBUCXBCBZIYPFS-CQSZACIVSA-N	-1	1	323.751	3.302	10	0		DGAEMM
C[C@@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@@H](c2ccco2)C1	ZINC000436702225	434075176	/nfs/dbraw/zinc/07/51/76/434075176.db2.gz	HJUIBFHVWZXNTA-IUODEOHRSA-N	-1	1	313.353	3.168	10	0		DGAEMM
[O-]c1ccc(F)cc1-c1nc(-c2cccc(-n3ccnc3)c2)no1	ZINC000436937480	434174701	/nfs/dbraw/zinc/17/47/01/434174701.db2.gz	ISIHHNLWUCJGNK-UHFFFAOYSA-N	-1	1	322.299	3.434	10	0		DGAEMM
CO[C@@H](C)c1nc(=N[C@@H](C)CCOCc2ccccc2)s[n-]1	ZINC000340995208	434476707	/nfs/dbraw/zinc/47/67/07/434476707.db2.gz	MXIKOMZBEUYXCE-STQMWFEESA-N	-1	1	321.446	3.075	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c([O-])c1	ZINC000408343529	434563079	/nfs/dbraw/zinc/56/30/79/434563079.db2.gz	QJFDOXFQVRJJFZ-LLVKDONJSA-N	-1	1	316.323	3.146	10	0		DGAEMM
Cc1cc([O-])c(Br)c(I)c1	ZINC000575692741	435045254	/nfs/dbraw/zinc/04/52/54/435045254.db2.gz	GPQNPWBIMLMXPN-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1cccnc1C(F)(F)F	ZINC000530167022	313330162	/nfs/dbraw/zinc/33/01/62/313330162.db2.gz	WDURKRZZFAKGOS-SCVCMEIPSA-N	-1	1	316.323	3.174	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000530172528	313332249	/nfs/dbraw/zinc/33/22/49/313332249.db2.gz	YSRATDURXREDCY-LKFCYVNXSA-N	-1	1	318.200	3.230	10	0		DGAEMM
O=C(NCCCc1ccccn1)c1cc2ccccc2cc1[O-]	ZINC000179072507	534851637	/nfs/dbraw/zinc/85/16/37/534851637.db2.gz	KHMDNKPGLHFPPB-UHFFFAOYSA-N	-1	1	306.365	3.303	10	0		DGAEMM
O=C1c2ccccc2N[C@@H](c2cc(F)c([O-])c(F)c2)N1C1CC1	ZINC000175926373	534852610	/nfs/dbraw/zinc/85/26/10/534852610.db2.gz	IWFXMJHXTRHPQV-MRXNPFEDSA-N	-1	1	316.307	3.399	10	0		DGAEMM
Cc1csc(C2CCN(C(=O)c3ccc([O-])cc3F)CC2)n1	ZINC000154862688	526330961	/nfs/dbraw/zinc/33/09/61/526330961.db2.gz	ZLYMBYLTFHQBBQ-UHFFFAOYSA-N	-1	1	320.389	3.316	10	0		DGAEMM
CC(C)Cn1ccnc1CNC(=O)c1ccc2ccccc2c1[O-]	ZINC000175925716	528732094	/nfs/dbraw/zinc/73/20/94/528732094.db2.gz	FPEAXDXCMGSYAX-UHFFFAOYSA-N	-1	1	323.396	3.328	10	0		DGAEMM
CC(=O)Oc1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1	ZINC000195080114	656208845	/nfs/dbraw/zinc/20/88/45/656208845.db2.gz	JOBBTJOJEMADQT-UHFFFAOYSA-N	-1	1	316.382	3.277	10	0		DGAEMM
CC1(NC(=O)c2ccc(Br)cc2[O-])CC(F)(F)C1	ZINC000720942653	658237652	/nfs/dbraw/zinc/23/76/52/658237652.db2.gz	XFPBEQJDVKEQNO-UHFFFAOYSA-N	-1	1	320.133	3.072	10	0		DGAEMM
O=C(Nc1c([O-])cccc1F)c1nc(Cl)ccc1Cl	ZINC000089541494	659700093	/nfs/dbraw/zinc/70/00/93/659700093.db2.gz	QZDMDQWIPGDMQF-UHFFFAOYSA-N	-1	1	301.104	3.485	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2cccc3c2OCCO3)[n-]1	ZINC000195086933	662177943	/nfs/dbraw/zinc/17/79/43/662177943.db2.gz	TYHDIXXYCABKPK-UHFFFAOYSA-N	-1	1	316.382	3.123	10	0		DGAEMM
C[C@@H]1[C@H](C(=O)[O-])CCCN1Cc1cscc1Br	ZINC000263004455	1204333955	/nfs/dbraw/zinc/33/39/55/1204333955.db2.gz	ACFDYJQYFLJYMM-PSASIEDQSA-N	-1	1	318.236	3.196	10	0		DGAEMM
CC1(C(=O)[O-])CCN(Cc2cc(-c3cccs3)on2)CC1	ZINC000062844461	432004208	/nfs/dbraw/zinc/00/42/08/432004208.db2.gz	NGWJPHVCKKRRLG-UHFFFAOYSA-N	-1	1	306.387	3.090	10	0		DGAEMM
O=C([O-])[C@H]1CCN(Cc2cc(Cl)ccc2Br)C1	ZINC000090252771	185288258	/nfs/dbraw/zinc/28/82/58/185288258.db2.gz	QPRVCRNYNGCQDF-QMMMGPOBSA-N	-1	1	318.598	3.009	10	0		DGAEMM
Cc1cc(C)cc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1	ZINC000107324973	432030107	/nfs/dbraw/zinc/03/01/07/432030107.db2.gz	NEIHSHCFSKBIEO-CYBMUJFWSA-N	-1	1	321.380	3.031	10	0		DGAEMM
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-]	ZINC000436825703	238544383	/nfs/dbraw/zinc/54/43/83/238544383.db2.gz	HPTWNOBCTWSBTM-GMSGAONNSA-N	-1	1	307.699	3.459	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2cc(F)cc(Cl)c2)[n-]1	ZINC000092216249	193174458	/nfs/dbraw/zinc/17/44/58/193174458.db2.gz	WFVXIFYDXWBVLE-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000473902238	244354815	/nfs/dbraw/zinc/35/48/15/244354815.db2.gz	NWHZUCQRQKGVBV-NKWVEPMBSA-N	-1	1	312.193	3.067	10	0		DGAEMM
O=C1[N-]C(=O)C(=Cc2cc(Cc3ccccc3)ccc2O)S1	ZINC000020522951	182227017	/nfs/dbraw/zinc/22/70/17/182227017.db2.gz	JXJDZXQWUOVOEO-GDNBJRDFSA-N	-1	1	311.362	3.307	10	0		DGAEMM
CC(C)[C@@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000134976468	284457501	/nfs/dbraw/zinc/45/75/01/284457501.db2.gz	DZCGNYHWMZJHRO-SNVBAGLBSA-N	-1	1	312.207	3.273	10	0		DGAEMM
CC(=O)c1ccc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)cc1	ZINC000041055616	183159884	/nfs/dbraw/zinc/15/98/84/183159884.db2.gz	BGXYQHLWAHZTEY-UHFFFAOYSA-N	-1	1	324.311	3.122	10	0		DGAEMM
CCN(Cc1ccc(F)cc1Br)C[C@@H](C)C(=O)[O-]	ZINC000061219752	184166449	/nfs/dbraw/zinc/16/64/49/184166449.db2.gz	KRWXUDPNQVTANJ-SECBINFHSA-N	-1	1	318.186	3.131	10	0		DGAEMM
CCOC(=O)[C@H]1CCc2sc(=NC(=O)OC(C)(C)C)[n-]c21	ZINC000115353175	400397327	/nfs/dbraw/zinc/39/73/27/400397327.db2.gz	GTGNPQBUNBUGQF-QMMMGPOBSA-N	-1	1	312.391	3.083	10	0		DGAEMM
Cc1cc(S(=O)(=O)Nc2cc(C)c(C)cc2C(=O)[O-])c(C)o1	ZINC000358500643	286078828	/nfs/dbraw/zinc/07/88/28/286078828.db2.gz	WBEKLFPPYUBDAB-UHFFFAOYSA-N	-1	1	323.370	3.012	10	0		DGAEMM
Cc1cnc(C(=O)N2CCCCC[C@@H]2c2ccco2)c([O-])c1	ZINC000408228155	165949563	/nfs/dbraw/zinc/94/95/63/165949563.db2.gz	GJTWOKAZQQLWOH-CYBMUJFWSA-N	-1	1	300.358	3.446	10	0		DGAEMM
Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1cc(F)ccc1[O-]	ZINC000137319648	432175554	/nfs/dbraw/zinc/17/55/54/432175554.db2.gz	NGFRUZRLWSKXHF-JTQLQIEISA-N	-1	1	319.380	3.282	10	0		DGAEMM
CSCCC(=O)Nc1cc(C)cc(Br)c1[O-]	ZINC000182922624	432241700	/nfs/dbraw/zinc/24/17/00/432241700.db2.gz	BFEILAXMRPPBSA-UHFFFAOYSA-N	-1	1	304.209	3.155	10	0		DGAEMM
C[C@H]1C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1	ZINC000183082872	432255596	/nfs/dbraw/zinc/25/55/96/432255596.db2.gz	GBKIJRLPWVXZEJ-YUMQZZPRSA-N	-1	1	304.316	3.224	10	0		DGAEMM
O=S(=O)([N-]C[C@@H]1C[C@H]1c1ccccc1)c1cccc(F)c1F	ZINC000111358123	431217560	/nfs/dbraw/zinc/21/75/60/431217560.db2.gz	GYOQTJKFOUOBPF-STQMWFEESA-N	-1	1	323.364	3.047	10	0		DGAEMM
O=S(=O)([N-]C[C@H]1C[C@H]1c1ccccc1)c1cc(F)ccc1F	ZINC000111358732	431217592	/nfs/dbraw/zinc/21/75/92/431217592.db2.gz	JDHWRXNSARFUHG-OCCSQVGLSA-N	-1	1	323.364	3.047	10	0		DGAEMM
COC(=O)CCCCCNC(=O)c1cc2ccccc2cc1[O-]	ZINC000024466127	431643452	/nfs/dbraw/zinc/64/34/52/431643452.db2.gz	UKEPOQWUJDJRHW-UHFFFAOYSA-N	-1	1	315.369	3.009	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CC[C@H](C)C[C@@H](C)C3)cnc2n1	ZINC000119372640	431685327	/nfs/dbraw/zinc/68/53/27/431685327.db2.gz	JFYIEVOGFVVUBX-NWDGAFQWSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@H](C)C[C@@H](C)C1)c2=O	ZINC000119372640	431685335	/nfs/dbraw/zinc/68/53/35/431685335.db2.gz	JFYIEVOGFVVUBX-NWDGAFQWSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cn1ccnc1-c1cc(NC(=O)c2ccc3ccccc3c2)[nH]n1	ZINC000119593123	431709146	/nfs/dbraw/zinc/70/91/46/431709146.db2.gz	NSINKCNSAAIDAV-UHFFFAOYSA-N	-1	1	317.352	3.216	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2cc(Cl)ccc2F)[n-]1	ZINC000090371203	431890949	/nfs/dbraw/zinc/89/09/49/431890949.db2.gz	YQZCPDRXIYVBOE-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1nc(=O)c2sccc2[n-]1	ZINC000156876869	432610733	/nfs/dbraw/zinc/61/07/33/432610733.db2.gz	UHUOPHMETRUVDQ-LBPRGKRZSA-N	-1	1	305.447	3.385	10	0		DGAEMM
O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1ccc(F)cc1	ZINC000188148145	432708112	/nfs/dbraw/zinc/70/81/12/432708112.db2.gz	WHJLYEGXJGTNPX-UHFFFAOYSA-N	-1	1	304.346	3.174	10	0		DGAEMM
CCc1onc(C)c1[N-]C(=O)c1csc(C(F)(F)F)n1	ZINC000189540467	432798140	/nfs/dbraw/zinc/79/81/40/432798140.db2.gz	IXZFNKKPXIKJGR-UHFFFAOYSA-N	-1	1	305.281	3.273	10	0		DGAEMM
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(Cl)cc1[O-]	ZINC000436824549	434123059	/nfs/dbraw/zinc/12/30/59/434123059.db2.gz	BVWJVBNDRUBRQC-XCBNKYQSSA-N	-1	1	307.699	3.459	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)c([O-])c1	ZINC000408223319	434554723	/nfs/dbraw/zinc/55/47/23/434554723.db2.gz	HZCJXGWZGSJTJE-WCQYABFASA-N	-1	1	300.358	3.302	10	0		DGAEMM
Cc1ccc(I)c(Br)c1[O-]	ZINC000575692024	435045244	/nfs/dbraw/zinc/04/52/44/435045244.db2.gz	APDNUZFUIHATOR-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2cccc(C)c2Cl)n[nH]1	ZINC000181136273	323246957	/nfs/dbraw/zinc/24/69/57/323246957.db2.gz	LQNWHZZTKOGRIN-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
CC1(C2(NC(=O)c3cc(Br)ccc3[O-])CC2)CC1	ZINC000398290263	1177017055	/nfs/dbraw/zinc/01/70/55/1177017055.db2.gz	XYOFDKXPCLAUBY-UHFFFAOYSA-N	-1	1	310.191	3.217	10	0		DGAEMM
O=C(NCCCc1ccccn1)c1ccc(C(F)(F)F)cc1[O-]	ZINC000180766295	534852100	/nfs/dbraw/zinc/85/21/00/534852100.db2.gz	GUWIAGQIOZPMOF-UHFFFAOYSA-N	-1	1	324.302	3.169	10	0		DGAEMM
CCNc1ccc(Cl)cc1NC(=O)c1ccc(O)cc1[O-]	ZINC000183004996	528435745	/nfs/dbraw/zinc/43/57/45/528435745.db2.gz	OBNYGNAMGYZSQK-UHFFFAOYSA-N	-1	1	306.749	3.435	10	0		DGAEMM
C[C@@H]1C[C@@H]1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-]	ZINC000740924163	574945827	/nfs/dbraw/zinc/94/58/27/574945827.db2.gz	PRYXEUWQHNUFRZ-GHMZBOCLSA-N	-1	1	320.389	3.125	10	0		DGAEMM
CC(C)[C@H](C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1)c1cccc(Cl)c1	ZINC000898871802	619296976	/nfs/dbraw/zinc/29/69/76/619296976.db2.gz	PHQDWOBYNVJHJR-BONVTDFDSA-N	-1	1	321.808	3.386	10	0		DGAEMM
C[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000709345526	660928086	/nfs/dbraw/zinc/92/80/86/660928086.db2.gz	YLTOIZKKDHTAQM-GFCCVEGCSA-N	-1	1	307.699	3.460	10	0		DGAEMM
CCCCC[C@H](C)NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188146923	656143858	/nfs/dbraw/zinc/14/38/58/656143858.db2.gz	YIDHGZWVRLBVMJ-NSHDSACASA-N	-1	1	323.462	3.237	10	0		DGAEMM
CCOc1c(F)cccc1C(=O)Nc1nc(Cl)ccc1[O-]	ZINC000188340527	661926414	/nfs/dbraw/zinc/92/64/14/661926414.db2.gz	QPOLKWOUDCLZMK-UHFFFAOYSA-N	-1	1	310.712	3.231	10	0		DGAEMM
CC(C)Oc1ccc(NC(=O)c2cncc([O-])c2)cc1Cl	ZINC000111776361	185635462	/nfs/dbraw/zinc/63/54/62/185635462.db2.gz	LUIOKVUEJOQRAR-UHFFFAOYSA-N	-1	1	306.749	3.480	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(SCc2ccc(F)cc2)[n-]1	ZINC000005155165	181210916	/nfs/dbraw/zinc/21/09/16/181210916.db2.gz	LBCJFTUCDUWYHD-UHFFFAOYSA-N	-1	1	304.268	3.220	10	0		DGAEMM
CC[C@H](C)Oc1cc(=O)[n-]c(Sc2ccccc2OC)n1	ZINC000005885387	181293069	/nfs/dbraw/zinc/29/30/69/181293069.db2.gz	JOUSQDZVWBNWTC-JTQLQIEISA-N	-1	1	306.387	3.107	10	0		DGAEMM
CC[C@@H](C)Oc1cc(=O)[n-]c(Sc2cccc(OC)c2)n1	ZINC000005884710	181292927	/nfs/dbraw/zinc/29/29/27/181292927.db2.gz	JKIVBKNDIQQTKV-SNVBAGLBSA-N	-1	1	306.387	3.107	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc12	ZINC000093909474	193327683	/nfs/dbraw/zinc/32/76/83/193327683.db2.gz	GDPOLHJMYBJPLW-UHFFFAOYSA-N	-1	1	321.789	3.326	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)cc3F)ccc12	ZINC000093909160	193327828	/nfs/dbraw/zinc/32/78/28/193327828.db2.gz	SQBNVWYVSKJTIE-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2ccc(C)cc2Cl)n[nH]1	ZINC000126415654	284304359	/nfs/dbraw/zinc/30/43/59/284304359.db2.gz	COYGBXJRKPQLRW-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
O=C(c1cc(F)ccc1[O-])N1CCCC[C@@H]1c1nccs1	ZINC000179539834	296181247	/nfs/dbraw/zinc/18/12/47/296181247.db2.gz	OTLBPLMGHGYERS-GFCCVEGCSA-N	-1	1	306.362	3.355	10	0		DGAEMM
CC(C)[C@H]1CCN(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000134976484	284457594	/nfs/dbraw/zinc/45/75/94/284457594.db2.gz	DZCGNYHWMZJHRO-JTQLQIEISA-N	-1	1	312.207	3.273	10	0		DGAEMM
[O-]c1c(F)cc(OC(F)(F)F)cc1I	ZINC000498035900	400305620	/nfs/dbraw/zinc/30/56/20/400305620.db2.gz	WHCIRBAVGCODKE-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
O=S(=O)([N-]c1c(O)cccc1F)c1cc(F)ccc1Cl	ZINC000608005096	401169868	/nfs/dbraw/zinc/16/98/68/401169868.db2.gz	QINQWDDYURMVJD-UHFFFAOYSA-N	-1	1	319.716	3.125	10	0		DGAEMM
O=C(N[C@H](c1ccccc1)c1ccncc1)c1c([O-])cccc1F	ZINC000185102945	228389325	/nfs/dbraw/zinc/38/93/25/228389325.db2.gz	IOZMMXDAPOOIMK-GOSISDBHSA-N	-1	1	322.339	3.446	10	0		DGAEMM
Cn1c(NC(=O)c2ccccc2[O-])nc2cc(Cl)ccc21	ZINC000072047645	426008119	/nfs/dbraw/zinc/00/81/19/426008119.db2.gz	SNWCUTKEKNXOHQ-UHFFFAOYSA-N	-1	1	301.733	3.185	10	0		DGAEMM
C[C@@H](NC(=O)c1cncc([O-])c1)c1ccccc1Br	ZINC000111742424	431234952	/nfs/dbraw/zinc/23/49/52/431234952.db2.gz	OWYWMTNTHBTOKH-SECBINFHSA-N	-1	1	321.174	3.041	10	0		DGAEMM
Cn1ccnc1-c1cc(NC(=O)C2(C)CCCCCC2)[nH]n1	ZINC000183241461	432272587	/nfs/dbraw/zinc/27/25/87/432272587.db2.gz	XYVXAJLTWOYZBN-UHFFFAOYSA-N	-1	1	301.394	3.109	10	0		DGAEMM
CCC[C@@H](N[C@@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-]	ZINC000185037251	432459117	/nfs/dbraw/zinc/45/91/17/432459117.db2.gz	ZEWPZTXRGVKBCO-BLLLJJGKSA-N	-1	1	314.385	3.010	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2cncc([O-])c2)[C@@H]1c1cccc(F)c1	ZINC000175388202	432430525	/nfs/dbraw/zinc/43/05/25/432430525.db2.gz	GSTOBCFJCSOCCK-ZBEGNZNMSA-N	-1	1	300.333	3.150	10	0		DGAEMM
CCC[C@H](N[C@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-]	ZINC000185037269	432458392	/nfs/dbraw/zinc/45/83/92/432458392.db2.gz	ZEWPZTXRGVKBCO-WBMJQRKESA-N	-1	1	314.385	3.010	10	0		DGAEMM
CC(C)COC1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1	ZINC000193629853	432487230	/nfs/dbraw/zinc/48/72/30/432487230.db2.gz	OIIUZBSONNWVQD-UHFFFAOYSA-N	-1	1	311.809	3.323	10	0		DGAEMM
CC(=O)c1cnc(NC(=O)c2ccc(C(C)C)cc2[O-])s1	ZINC000436547713	434006743	/nfs/dbraw/zinc/00/67/43/434006743.db2.gz	YCOXHTHYYZNDQI-UHFFFAOYSA-N	-1	1	304.371	3.427	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCOc2cccc(F)c2C1	ZINC000436658668	434055445	/nfs/dbraw/zinc/05/54/45/434055445.db2.gz	VSULVKROAJFDFT-UHFFFAOYSA-N	-1	1	321.735	3.220	10	0		DGAEMM
Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2	ZINC000438755813	434527305	/nfs/dbraw/zinc/52/73/05/434527305.db2.gz	HGJUWQUTJBAVIL-UHFFFAOYSA-N	-1	1	321.373	3.260	10	0		DGAEMM
COC(=O)Cc1cc(C(F)(F)F)cc([O-])c1C(F)(F)F	ZINC000575340474	435030154	/nfs/dbraw/zinc/03/01/54/435030154.db2.gz	FDPJYJOVVOCQLC-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@H](C)c2ccc(Cl)cc2Cl)C1	ZINC000530169449	313331253	/nfs/dbraw/zinc/33/12/53/313331253.db2.gz	IDCLKXUXHHCDSN-YMTOWFKASA-N	-1	1	318.200	3.230	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@@H]1c1cccc(F)c1	ZINC000180111158	323221302	/nfs/dbraw/zinc/22/13/02/323221302.db2.gz	ZKAFJOSIPYLTNP-GTNSWQLSSA-N	-1	1	324.359	3.320	10	0		DGAEMM
Cc1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)o1	ZINC000132821889	533865470	/nfs/dbraw/zinc/86/54/70/533865470.db2.gz	LAIKDODYIUMSFP-UHFFFAOYSA-N	-1	1	324.174	3.328	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc([O-])c1Cl	ZINC000262295999	546340336	/nfs/dbraw/zinc/34/03/36/546340336.db2.gz	WTZKJUCOXIEWFI-WXHSDQCUSA-N	-1	1	309.793	3.263	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc([O-])c1Cl	ZINC000262295999	546340338	/nfs/dbraw/zinc/34/03/38/546340338.db2.gz	WTZKJUCOXIEWFI-WXHSDQCUSA-N	-1	1	309.793	3.263	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc([O-])c1Cl	ZINC000262295993	546340344	/nfs/dbraw/zinc/34/03/44/546340344.db2.gz	WTZKJUCOXIEWFI-DRZSPHRISA-N	-1	1	309.793	3.263	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc([O-])c1Cl	ZINC000262295993	546340346	/nfs/dbraw/zinc/34/03/46/546340346.db2.gz	WTZKJUCOXIEWFI-DRZSPHRISA-N	-1	1	309.793	3.263	10	0		DGAEMM
C[C@@H]1C[C@H]1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-]	ZINC000740924164	574945945	/nfs/dbraw/zinc/94/59/45/574945945.db2.gz	PRYXEUWQHNUFRZ-MNOVXSKESA-N	-1	1	320.389	3.125	10	0		DGAEMM
O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2ncon2)cc1	ZINC000111667314	620746318	/nfs/dbraw/zinc/74/63/18/620746318.db2.gz	CGGFHUHPJSBXMG-UHFFFAOYSA-N	-1	1	315.716	3.348	10	0		DGAEMM
Cc1ccccc1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188131537	655841673	/nfs/dbraw/zinc/84/16/73/655841673.db2.gz	BBHPINNDAFTCLX-UHFFFAOYSA-N	-1	1	300.383	3.343	10	0		DGAEMM
CCCCCC[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000074273627	661253051	/nfs/dbraw/zinc/25/30/51/661253051.db2.gz	XLRYBGLIZPIVAF-GFCCVEGCSA-N	-1	1	301.390	3.012	10	0		DGAEMM
Cc1cc(C)nc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1	ZINC000179021540	657407890	/nfs/dbraw/zinc/40/78/90/657407890.db2.gz	MBWFSIDYOSDRMW-BQYQJAHWSA-N	-1	1	306.362	3.250	10	0		DGAEMM
O=C(Nc1cccc(F)c1[O-])c1nc(Cl)ccc1Cl	ZINC000707958189	1082503014	/nfs/dbraw/zinc/50/30/14/1082503014.db2.gz	VWZAWRSOPLEPBA-UHFFFAOYSA-N	-1	1	301.104	3.485	10	0		DGAEMM
COCCn1c(=S)[n-]nc1-c1cc(C)nc2ccccc21	ZINC000082470951	185185618	/nfs/dbraw/zinc/18/56/18/185185618.db2.gz	BZZIGLMTYHKASP-UHFFFAOYSA-N	-1	1	300.387	3.111	10	0		DGAEMM
O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H]1Cn1ccnc1	ZINC000179746682	199075018	/nfs/dbraw/zinc/07/50/18/199075018.db2.gz	KVIJVRJERSBIDD-OAHLLOKOSA-N	-1	1	321.380	3.047	10	0		DGAEMM
O=c1[nH]c(-c2ccc([O-])c(F)c2)nc2cc(C(F)(F)F)ccc12	ZINC000128659709	284382710	/nfs/dbraw/zinc/38/27/10/284382710.db2.gz	URHPDLJRJPMDGA-UHFFFAOYSA-N	-1	1	324.233	3.454	10	0		DGAEMM
CN(C(=O)c1ccc(Cl)cc1O)c1ccccc1C(=O)[O-]	ZINC000019232507	182110277	/nfs/dbraw/zinc/11/02/77/182110277.db2.gz	YQKLGTYFGTXBIK-UHFFFAOYSA-N	-1	1	305.717	3.020	10	0		DGAEMM
CCOC(=O)[C@@H]1CCc2sc(=NC(=O)OC(C)(C)C)[n-]c21	ZINC000115353173	400397106	/nfs/dbraw/zinc/39/71/06/400397106.db2.gz	GTGNPQBUNBUGQF-MRVPVSSYSA-N	-1	1	312.391	3.083	10	0		DGAEMM
O=C([O-])C[C@H]1CCCN1CCOc1c(Cl)cccc1Cl	ZINC000042162424	400426080	/nfs/dbraw/zinc/42/60/80/400426080.db2.gz	QOWAJCUWZMUZQM-SNVBAGLBSA-N	-1	1	318.200	3.311	10	0		DGAEMM
O=c1ccnc(SCc2sccc2Br)[n-]1	ZINC000043523076	400470923	/nfs/dbraw/zinc/47/09/23/400470923.db2.gz	BNAMADJIWIHLJX-UHFFFAOYSA-N	-1	1	303.206	3.299	10	0		DGAEMM
CCCOc1cc(C(=O)OCC)cc([O-])c1Br	ZINC000218221458	400950847	/nfs/dbraw/zinc/95/08/47/400950847.db2.gz	GMUNNTAFSVJMEL-UHFFFAOYSA-N	-1	1	303.152	3.120	10	0		DGAEMM
O=C(NC[C@H]1CCCC12CC2)c1ccc(Br)c([O-])c1	ZINC000629831888	401097070	/nfs/dbraw/zinc/09/70/70/401097070.db2.gz	WMCMAJVRIPIMNF-LLVKDONJSA-N	-1	1	324.218	3.465	10	0		DGAEMM
O=C(N[C@H]1CCCC12CC2)c1ccc(Br)c([O-])c1	ZINC000633780068	401099914	/nfs/dbraw/zinc/09/99/14/401099914.db2.gz	NTWKEEXUACOQHK-LBPRGKRZSA-N	-1	1	310.191	3.217	10	0		DGAEMM
O=C(c1ccc(Br)cc1[O-])N1CC(CC2CC2)C1	ZINC000622250541	401369455	/nfs/dbraw/zinc/36/94/55/401369455.db2.gz	NWNHULPYEVYEKY-UHFFFAOYSA-N	-1	1	310.191	3.027	10	0		DGAEMM
O=S(=O)([N-]Cc1cccs1)c1c(F)cccc1Cl	ZINC000130967112	196127635	/nfs/dbraw/zinc/12/76/35/196127635.db2.gz	ZPKKTUHTTAJGBE-UHFFFAOYSA-N	-1	1	305.783	3.019	10	0		DGAEMM
O=S(=O)([N-]Cc1ccccc1F)c1c(F)cccc1Cl	ZINC000130969978	196128015	/nfs/dbraw/zinc/12/80/15/196128015.db2.gz	CWEUEDRPUKPGPA-UHFFFAOYSA-N	-1	1	317.744	3.097	10	0		DGAEMM
C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCCC1	ZINC000179327044	228351004	/nfs/dbraw/zinc/35/10/04/228351004.db2.gz	KNPYWIVBPUVQKR-SECBINFHSA-N	-1	1	312.207	3.463	10	0		DGAEMM
O=C(NCCC1CCCC1)c1ccc(Br)c([O-])c1	ZINC000179438554	228351127	/nfs/dbraw/zinc/35/11/27/228351127.db2.gz	FXWFXMNRJKLSCI-UHFFFAOYSA-N	-1	1	312.207	3.465	10	0		DGAEMM
CCn1c(=S)[n-]nc1C1CCN(C(=O)C[C@@H](C)C(C)C)CC1	ZINC000068453666	431128701	/nfs/dbraw/zinc/12/87/01/431128701.db2.gz	ABEAFUWKVMDLRW-GFCCVEGCSA-N	-1	1	324.494	3.349	10	0		DGAEMM
Cc1cccc([C@@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1C	ZINC000115640689	431466114	/nfs/dbraw/zinc/46/61/14/431466114.db2.gz	ZRCRZEKFADOXOT-CYBMUJFWSA-N	-1	1	321.380	3.031	10	0		DGAEMM
Cc1cccc([C@H](C)NC(=O)c2nc3ccccc3c(=O)[n-]2)c1C	ZINC000115640691	431467396	/nfs/dbraw/zinc/46/73/96/431467396.db2.gz	ZRCRZEKFADOXOT-ZDUSSCGKSA-N	-1	1	321.380	3.031	10	0		DGAEMM
CCN(Cc1ccccc1)C(=O)c1cnc2nc(C)ccc2c1[O-]	ZINC000119231290	431663418	/nfs/dbraw/zinc/66/34/18/431663418.db2.gz	LXRGTCRBQIESOJ-UHFFFAOYSA-N	-1	1	321.380	3.306	10	0		DGAEMM
CCN(Cc1ccccc1)C(=O)c1c[n-]c2nc(C)ccc2c1=O	ZINC000119231290	431663424	/nfs/dbraw/zinc/66/34/24/431663424.db2.gz	LXRGTCRBQIESOJ-UHFFFAOYSA-N	-1	1	321.380	3.306	10	0		DGAEMM
O=c1cc(-c2c[nH]c3ncccc23)nc(Nc2ccccc2)[n-]1	ZINC000101473287	431984554	/nfs/dbraw/zinc/98/45/54/431984554.db2.gz	GPFUVRPYGUPQEN-UHFFFAOYSA-N	-1	1	303.325	3.057	10	0		DGAEMM
Cc1oc2ccccc2c1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000184528340	432401579	/nfs/dbraw/zinc/40/15/79/432401579.db2.gz	BUGNTVWZASRHEM-UHFFFAOYSA-N	-1	1	310.235	3.130	10	0		DGAEMM
CCC(CC)N(CC(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000175400152	432432179	/nfs/dbraw/zinc/43/21/79/432432179.db2.gz	CFYZJWWWQDONDJ-UHFFFAOYSA-N	-1	1	315.417	3.210	10	0		DGAEMM
COc1cc2c(cc1F)nccc2NC1CCC(C(=O)[O-])CC1	ZINC000263384512	432538269	/nfs/dbraw/zinc/53/82/69/432538269.db2.gz	DMOUBJFWWRHOCH-UHFFFAOYSA-N	-1	1	318.348	3.438	10	0		DGAEMM
CCc1cc(=O)[n-]c(SCc2csc(C(C)(C)C)n2)n1	ZINC000195076458	432599714	/nfs/dbraw/zinc/59/97/14/432599714.db2.gz	INCGMSMSMFPRBP-UHFFFAOYSA-N	-1	1	309.460	3.379	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCCCCCn2cccn2)[n-]1	ZINC000195086310	432600429	/nfs/dbraw/zinc/60/04/29/432600429.db2.gz	MODXIAVFQGKSDB-UHFFFAOYSA-N	-1	1	304.419	3.219	10	0		DGAEMM
Cc1cccn2cc(CSc3nc(C4CC4)cc(=O)[n-]3)nc12	ZINC000188137807	432708511	/nfs/dbraw/zinc/70/85/11/432708511.db2.gz	YNEKMUZLMWJQGZ-UHFFFAOYSA-N	-1	1	312.398	3.308	10	0		DGAEMM
CCCc1cc(NC(=O)c2cc(Br)ccc2[O-])n[nH]1	ZINC000225457488	432690820	/nfs/dbraw/zinc/69/08/20/432690820.db2.gz	OXYKYQLQXRENJG-UHFFFAOYSA-N	-1	1	324.178	3.083	10	0		DGAEMM
Cn1cc([C@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])cn1	ZINC000179540725	294297317	/nfs/dbraw/zinc/29/73/17/294297317.db2.gz	DJQVQNFHEJWLFD-QGZVFWFLSA-N	-1	1	321.380	3.256	10	0		DGAEMM
CC(C)CCc1nc(CN2CCC[C@H](CC(=O)[O-])C2)cs1	ZINC000532712092	435187464	/nfs/dbraw/zinc/18/74/64/435187464.db2.gz	PZUVDILJCICKJQ-CYBMUJFWSA-N	-1	1	310.463	3.418	10	0		DGAEMM
C[C@@H]1CC[C@H](C(=O)[O-])[C@H](C)N1Cc1ccn(C2CCCC2)n1	ZINC000514798624	435439912	/nfs/dbraw/zinc/43/99/12/435439912.db2.gz	KIYDZYBWJMHQMR-WWGRRREGSA-N	-1	1	305.422	3.072	10	0		DGAEMM
O=C(c1ccc(Br)cc1[O-])N1CCC12CCCC2	ZINC000652572184	436012526	/nfs/dbraw/zinc/01/25/26/436012526.db2.gz	ZWWJCVSFBLZKOJ-UHFFFAOYSA-N	-1	1	310.191	3.313	10	0		DGAEMM
CCOc1cc(C(=O)NCc2cccc(C)n2)cc(Cl)c1[O-]	ZINC000186659133	323408435	/nfs/dbraw/zinc/40/84/35/323408435.db2.gz	UFSDAQMXECZBFI-UHFFFAOYSA-N	-1	1	320.776	3.078	10	0		DGAEMM
CCOc1ccc(Cl)c(C(=O)[N-]c2nnc(C3CC3)s2)n1	ZINC000084807878	545795403	/nfs/dbraw/zinc/79/54/03/545795403.db2.gz	UXAQQSKCKCQPHE-UHFFFAOYSA-N	-1	1	324.793	3.115	10	0		DGAEMM
CC(C)c1ccc(SCC(=O)N[C@H](C)c2cc(=O)[nH][n-]2)cc1	ZINC000898868356	619296765	/nfs/dbraw/zinc/29/67/65/619296765.db2.gz	FZDNPNCTKSWTCE-LLVKDONJSA-N	-1	1	319.430	3.208	10	0		DGAEMM
C[C@@H](C(=O)[O-])N(C)Cc1cccc(Cl)c1Br	ZINC000719408843	662283930	/nfs/dbraw/zinc/28/39/30/662283930.db2.gz	HNVCAEAFKWPJGK-ZETCQYMHSA-N	-1	1	306.587	3.007	10	0		DGAEMM
O=C(N[C@H]1CC2CCC1CC2)c1cc(Br)ccc1[O-]	ZINC000311692838	1199744731	/nfs/dbraw/zinc/74/47/31/1199744731.db2.gz	KQKLJJUMWSMFCT-ZPPKWKGLSA-N	-1	1	324.218	3.463	10	0		DGAEMM
O=C(NC1CCC=CCC1)c1cc(Br)ccc1[O-]	ZINC000718079357	1104502657	/nfs/dbraw/zinc/50/26/57/1104502657.db2.gz	VCXHFVZNFCAVKQ-UHFFFAOYSA-N	-1	1	310.191	3.383	10	0		DGAEMM
C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435429577	238305633	/nfs/dbraw/zinc/30/56/33/238305633.db2.gz	XYYIBPHGMRFADC-BQBZGAKWSA-N	-1	1	312.193	3.067	10	0		DGAEMM
O=S(=O)([N-][C@@H]1CCC12CCCC2)c1sccc1Cl	ZINC000451465559	241131357	/nfs/dbraw/zinc/13/13/57/241131357.db2.gz	MWSRMWFYICTUMU-SNVBAGLBSA-N	-1	1	305.852	3.403	10	0		DGAEMM
COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([O-])cc2F)c1	ZINC000181061678	432112595	/nfs/dbraw/zinc/11/25/95/432112595.db2.gz	OGGZOZFDSNREOJ-SNVBAGLBSA-N	-1	1	319.332	3.040	10	0		DGAEMM
CCCc1cc(=O)[n-]c(SCc2nc(-c3ccoc3)no2)n1	ZINC000105571906	284040536	/nfs/dbraw/zinc/04/05/36/284040536.db2.gz	JBCVFLIOPFBARP-UHFFFAOYSA-N	-1	1	318.358	3.070	10	0		DGAEMM
O=S(=O)([N-]CCC1CCCCC1)c1cnc(Cl)s1	ZINC000037742139	182922632	/nfs/dbraw/zinc/92/26/32/182922632.db2.gz	AXQZXDDIPHDUBF-UHFFFAOYSA-N	-1	1	308.856	3.045	10	0		DGAEMM
C[C@@H](Oc1cccc(Br)c1)c1n[n-]c(=S)n1C	ZINC000064872150	184305293	/nfs/dbraw/zinc/30/52/93/184305293.db2.gz	TWGANQPJTSQULL-SSDOTTSWSA-N	-1	1	314.208	3.380	10	0		DGAEMM
CCOC(=O)C1=C([O-])c2cc(Cl)ccc2[C@](C)(CC)C1=O	ZINC000116704471	400411899	/nfs/dbraw/zinc/41/18/99/400411899.db2.gz	GPYRQWIOODWJCK-INIZCTEOSA-N	-1	1	308.761	3.423	10	0		DGAEMM
CCOC(=O)C1=C([O-])c2ccc(Cl)cc2[C@](C)(CC)C1=O	ZINC000116701598	400412340	/nfs/dbraw/zinc/41/23/40/400412340.db2.gz	WCZSBMNQTXXGQS-INIZCTEOSA-N	-1	1	308.761	3.423	10	0		DGAEMM
C[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1ccc2c(c1)OCO2	ZINC000141436114	400625933	/nfs/dbraw/zinc/62/59/33/400625933.db2.gz	DHZBXIWMDHDZLK-VIFPVBQESA-N	-1	1	319.744	3.265	10	0		DGAEMM
CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cccc(F)c2)c1	ZINC000171013775	400782125	/nfs/dbraw/zinc/78/21/25/400782125.db2.gz	BGPGMDYFAMQXLL-NSHDSACASA-N	-1	1	309.362	3.334	10	0		DGAEMM
O=C(Nc1ccc2nccn2c1)c1ccc2ccccc2c1[O-]	ZINC000606198497	400894020	/nfs/dbraw/zinc/89/40/20/400894020.db2.gz	GWPAQOQXXYBRKP-UHFFFAOYSA-N	-1	1	303.321	3.445	10	0		DGAEMM
CC(C)c1nnc([N-]C(=O)c2csc(C(F)(F)F)n2)s1	ZINC000187915751	165107081	/nfs/dbraw/zinc/10/70/81/165107081.db2.gz	UAISMIIWRPWQSL-UHFFFAOYSA-N	-1	1	322.337	3.389	10	0		DGAEMM
COc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)ccc1F	ZINC000190721379	432185290	/nfs/dbraw/zinc/18/52/90/432185290.db2.gz	UUVAXWVZDOQMGG-UHFFFAOYSA-N	-1	1	320.345	3.116	10	0		DGAEMM
C[C@@H]1CC[C@H](C)N(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000124796227	287735329	/nfs/dbraw/zinc/73/53/29/287735329.db2.gz	IWUOSRBUMWFZTH-ZJUUUORDSA-N	-1	1	312.207	3.415	10	0		DGAEMM
C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H]1c1ccccc1	ZINC000075539423	431483466	/nfs/dbraw/zinc/48/34/66/431483466.db2.gz	UGKSWVBKRYUWOP-LRDDRELGSA-N	-1	1	319.364	3.169	10	0		DGAEMM
O=C([O-])[C@@H]1Cc2ccc(Cl)cc2CN1Cc1cccs1	ZINC000008698969	280071292	/nfs/dbraw/zinc/07/12/92/280071292.db2.gz	XBPFMPKZGOVCOZ-AWEZNQCLSA-N	-1	1	307.802	3.413	10	0		DGAEMM
COc1cc([O-])c2c(=O)cc(Oc3ccc(O)cc3)oc2c1	ZINC000014775978	431594619	/nfs/dbraw/zinc/59/46/19/431594619.db2.gz	KBZNDYPDNBEAGK-UHFFFAOYSA-N	-1	1	300.266	3.005	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CC[C@@H](C)C[C@H](C)C3)cnc2n1	ZINC000119372508	431685008	/nfs/dbraw/zinc/68/50/08/431685008.db2.gz	JFYIEVOGFVVUBX-NEPJUHHUSA-N	-1	1	313.401	3.152	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CC[C@@H](C)C[C@H](C)C1)c2=O	ZINC000119372508	431685012	/nfs/dbraw/zinc/68/50/12/431685012.db2.gz	JFYIEVOGFVVUBX-NEPJUHHUSA-N	-1	1	313.401	3.152	10	0		DGAEMM
COc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1F	ZINC000193476037	432476358	/nfs/dbraw/zinc/47/63/58/432476358.db2.gz	HEDOHXPVZWRCCA-UHFFFAOYSA-N	-1	1	320.345	3.116	10	0		DGAEMM
CC[C@H](C)NC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C	ZINC000195087248	432601986	/nfs/dbraw/zinc/60/19/86/432601986.db2.gz	WYMZOVVQRTVYJB-HZMBPMFUSA-N	-1	1	323.462	3.091	10	0		DGAEMM
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)c([O-])c1	ZINC000403612118	434504518	/nfs/dbraw/zinc/50/45/18/434504518.db2.gz	JAHWZGRVQCOSPT-FBIMIBRVSA-N	-1	1	310.191	3.073	10	0		DGAEMM
Cc1csc([C@@H]2CCCCN2C(=O)c2ncc(C)cc2[O-])n1	ZINC000408368079	434569336	/nfs/dbraw/zinc/56/93/36/434569336.db2.gz	BPPGFWFPWLOAOS-LBPRGKRZSA-N	-1	1	317.414	3.228	10	0		DGAEMM
Cc1cc(Br)cc([O-])c1I	ZINC000575692455	435045760	/nfs/dbraw/zinc/04/57/60/435045760.db2.gz	FRFMLQXLFZIICG-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
CSc1[n-]c(=O)c(C(=O)Nc2cccc3cc[nH]c32)cc1C#N	ZINC000547497517	314373404	/nfs/dbraw/zinc/37/34/04/314373404.db2.gz	UUNOMXSLIZULEL-UHFFFAOYSA-N	-1	1	324.365	3.114	10	0		DGAEMM
Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])n1	ZINC000180416473	323229100	/nfs/dbraw/zinc/22/91/00/323229100.db2.gz	NUZADPMQVGIOSW-UHFFFAOYSA-N	-1	1	310.275	3.044	10	0		DGAEMM
C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)c1ccccc1	ZINC000188147443	323422538	/nfs/dbraw/zinc/42/25/38/323422538.db2.gz	YRKARGDCNZDBPG-SNVBAGLBSA-N	-1	1	300.383	3.423	10	0		DGAEMM
C[C@]1(NC(=O)c2ccc(Br)cc2[O-])CC=CCC1	ZINC000398350066	1177017953	/nfs/dbraw/zinc/01/79/53/1177017953.db2.gz	WWFGMPSSZHHEGW-AWEZNQCLSA-N	-1	1	310.191	3.383	10	0		DGAEMM
O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc([O-])cc1F	ZINC000181090869	527032596	/nfs/dbraw/zinc/03/25/96/527032596.db2.gz	UKPRTSZSDBGJHH-BDAKNGLRSA-N	-1	1	305.271	3.382	10	0		DGAEMM
O=S(=O)([N-]c1cc(O)cc(F)c1)c1ccc(F)c(Cl)c1	ZINC000161298175	546066785	/nfs/dbraw/zinc/06/67/85/546066785.db2.gz	KZADQDINCQHQKO-UHFFFAOYSA-N	-1	1	319.716	3.125	10	0		DGAEMM
O=C([N-]c1ncn(C2CCCCC2)n1)c1coc(C2CCC2)n1	ZINC000194859415	546249901	/nfs/dbraw/zinc/24/99/01/546249901.db2.gz	AJNNWTYKOQPONY-UHFFFAOYSA-N	-1	1	315.377	3.291	10	0		DGAEMM
O=C(N[C@@H]1CCCC1(F)F)c1ccc(Br)cc1[O-]	ZINC000398330832	575962473	/nfs/dbraw/zinc/96/24/73/575962473.db2.gz	NDBWDGPZNXYIDQ-SNVBAGLBSA-N	-1	1	320.133	3.072	10	0		DGAEMM
O=C(NCc1cnc(Cl)s1)c1cc(Cl)ccc1[O-]	ZINC000718802944	662261999	/nfs/dbraw/zinc/26/19/99/662261999.db2.gz	ARMHESBXKLJQDQ-UHFFFAOYSA-N	-1	1	303.170	3.086	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(Br)ccc1[O-]	ZINC000403637622	1199511425	/nfs/dbraw/zinc/51/14/25/1199511425.db2.gz	OQAVZZXMOZWIIR-MXWKQRLJSA-N	-1	1	324.218	3.321	10	0		DGAEMM
O=C(NCCCCOCc1ccccc1)c1ccc([O-])cc1F	ZINC000162846094	1091011888	/nfs/dbraw/zinc/01/18/88/1091011888.db2.gz	OTWQIDADDILIMH-UHFFFAOYSA-N	-1	1	317.360	3.258	10	0		DGAEMM
O=C(NCC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccc(Br)cc1[O-]	ZINC000717166816	1104218761	/nfs/dbraw/zinc/21/87/61/1104218761.db2.gz	VKNUGRPPFOOQFU-OPQQBVKSSA-N	-1	1	324.218	3.321	10	0		DGAEMM
CC[C@@H](C)Oc1cc(=O)[n-]c(Sc2ccc(OC)cc2)n1	ZINC000005884697	181293084	/nfs/dbraw/zinc/29/30/84/181293084.db2.gz	QOKPKLLNWDSGKL-SNVBAGLBSA-N	-1	1	306.387	3.107	10	0		DGAEMM
CCCCc1nc(CSc2nc(C3CC3)cc(=O)[n-]2)no1	ZINC000188133764	200199610	/nfs/dbraw/zinc/19/96/10/200199610.db2.gz	STXXXNQNIMWUST-UHFFFAOYSA-N	-1	1	306.391	3.078	10	0		DGAEMM
O=C(C[C@H]1CCCc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1	ZINC000170978779	432091360	/nfs/dbraw/zinc/09/13/60/432091360.db2.gz	MQCKYBQFKLZJTC-SNVBAGLBSA-N	-1	1	324.306	3.272	10	0		DGAEMM
COC(=O)CCCCCNC(=O)c1ccc2ccccc2c1[O-]	ZINC000078230689	283859915	/nfs/dbraw/zinc/85/99/15/283859915.db2.gz	MOTJBSYVQHFNEX-UHFFFAOYSA-N	-1	1	315.369	3.009	10	0		DGAEMM
COc1ccc(OC)c([C@@H](C)NC(=O)c2c([O-])cccc2F)c1	ZINC000119146269	284135876	/nfs/dbraw/zinc/13/58/76/284135876.db2.gz	HOHLWFBMJFKMRQ-SNVBAGLBSA-N	-1	1	319.332	3.040	10	0		DGAEMM
O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-]	ZINC000007215207	284216353	/nfs/dbraw/zinc/21/63/53/284216353.db2.gz	CJYAUDZRRHYDMG-ZDUSSCGKSA-N	-1	1	303.745	3.299	10	0		DGAEMM
CCOC(=O)c1cnc(-c2cc(Cl)ccc2OCC)[n-]c1=O	ZINC000039243763	183015719	/nfs/dbraw/zinc/01/57/19/183015719.db2.gz	SNQYWDIUKAUIRL-UHFFFAOYSA-N	-1	1	322.748	3.078	10	0		DGAEMM
O=S(=O)([N-]c1ccc(F)c(F)c1)c1cccc2ncccc21	ZINC000120007065	195079626	/nfs/dbraw/zinc/07/96/26/195079626.db2.gz	LDORIZRFCBVTMR-UHFFFAOYSA-N	-1	1	320.320	3.314	10	0		DGAEMM
O=C([O-])c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1	ZINC000089195037	304283424	/nfs/dbraw/zinc/28/34/24/304283424.db2.gz	ZCHNAUFODSANHU-UHFFFAOYSA-N	-1	1	309.041	3.042	10	0		DGAEMM
CC(C)c1[nH]ncc1C(=O)Nc1cc(Br)ccc1O	ZINC000189479256	165163072	/nfs/dbraw/zinc/16/30/72/165163072.db2.gz	JIUGBNVMXFGLHO-UHFFFAOYSA-N	-1	1	324.178	3.254	10	0		DGAEMM
O=C(c1cncc([O-])c1)N(CCC(F)(F)F)Cc1ccccc1	ZINC000191789074	165270685	/nfs/dbraw/zinc/27/06/85/165270685.db2.gz	NMRFWJMBAUVWKD-UHFFFAOYSA-N	-1	1	324.302	3.382	10	0		DGAEMM
C[C@H](CC1CCCCC1)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000192570893	165295995	/nfs/dbraw/zinc/29/59/95/165295995.db2.gz	CRWYBWWAILYBTB-GFCCVEGCSA-N	-1	1	313.401	3.012	10	0		DGAEMM
O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@H]1c1nc[nH]n1	ZINC000182108109	432157835	/nfs/dbraw/zinc/15/78/35/432157835.db2.gz	AGCLFICTNCALBH-HNNXBMFYSA-N	-1	1	322.368	3.031	10	0		DGAEMM
O=S(=O)([N-]Cc1ccc(F)cc1)c1c(F)cccc1Cl	ZINC000130953261	196126502	/nfs/dbraw/zinc/12/65/02/196126502.db2.gz	XISUFCQKBYUABR-UHFFFAOYSA-N	-1	1	317.744	3.097	10	0		DGAEMM
C[C@@H]1C[C@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1	ZINC000183082852	432256301	/nfs/dbraw/zinc/25/63/01/432256301.db2.gz	GBKIJRLPWVXZEJ-SFYZADRCSA-N	-1	1	304.316	3.224	10	0		DGAEMM
CSc1ccc(-c2ccc(C(=O)C=C(O)C(=O)[O-])cc2)cc1	ZINC000028222211	431702729	/nfs/dbraw/zinc/70/27/29/431702729.db2.gz	SNQDRDUYKGMWAL-UHFFFAOYSA-N	-1	1	314.362	3.302	10	0		DGAEMM
CCCCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)C(C)C	ZINC000097094552	431961102	/nfs/dbraw/zinc/96/11/02/431961102.db2.gz	PMTNIDTZGZHOGH-UHFFFAOYSA-N	-1	1	301.390	3.376	10	0		DGAEMM
CC(C)(C)c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)no1	ZINC000101338681	431984139	/nfs/dbraw/zinc/98/41/39/431984139.db2.gz	QKUOHHOBFDOJMU-UHFFFAOYSA-N	-1	1	306.391	3.032	10	0		DGAEMM
Cn1c(CSc2nc(C3CC3)cc(=O)[n-]2)nc2ccccc21	ZINC000191505154	432270745	/nfs/dbraw/zinc/27/07/45/432270745.db2.gz	IDDFQLJAANRXFC-UHFFFAOYSA-N	-1	1	312.398	3.239	10	0		DGAEMM
Cc1ccc(-c2cc(C(=O)N3CCOc4ccccc43)[nH]n2)o1	ZINC000193801023	432499679	/nfs/dbraw/zinc/49/96/79/432499679.db2.gz	RFQVODPMYDBNJW-UHFFFAOYSA-N	-1	1	309.325	3.017	10	0		DGAEMM
CC(C)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC(C)(C)C	ZINC000195080762	432600452	/nfs/dbraw/zinc/60/04/52/432600452.db2.gz	ZAMYINAVARBTAF-CYBMUJFWSA-N	-1	1	323.462	3.091	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2cn3ccsc3n2)[n-]1	ZINC000188148867	432706805	/nfs/dbraw/zinc/70/68/05/432706805.db2.gz	UKHMUYQHCPMZQH-UHFFFAOYSA-N	-1	1	304.400	3.061	10	0		DGAEMM
COc1cccc(C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)c1	ZINC000188147807	432708471	/nfs/dbraw/zinc/70/84/71/432708471.db2.gz	WPNLIIOKKCYNLU-UHFFFAOYSA-N	-1	1	316.382	3.043	10	0		DGAEMM
O=C(NCc1ccc(Br)cc1)c1ccc([O-])cc1F	ZINC000154830815	292691436	/nfs/dbraw/zinc/69/14/36/292691436.db2.gz	SEWJKLXFJUFVDO-UHFFFAOYSA-N	-1	1	324.149	3.224	10	0		DGAEMM
Cc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)n1	ZINC000301378601	433529569	/nfs/dbraw/zinc/52/95/69/433529569.db2.gz	SPOAPNGXBRGYCK-UHFFFAOYSA-N	-1	1	321.384	3.177	10	0		DGAEMM
O=C(c1cc(Br)ccc1[O-])N1CCC2(CC2)CC1	ZINC000369758937	293139021	/nfs/dbraw/zinc/13/90/21/293139021.db2.gz	CBXMRYYLBAUOFG-UHFFFAOYSA-N	-1	1	310.191	3.171	10	0		DGAEMM
C[C@H](COCc1ccccc1)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000390778918	293825462	/nfs/dbraw/zinc/82/54/62/293825462.db2.gz	HRFHTMHIIIACGJ-GFCCVEGCSA-N	-1	1	319.788	3.381	10	0		DGAEMM
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-]	ZINC000436825705	434128763	/nfs/dbraw/zinc/12/87/63/434128763.db2.gz	HPTWNOBCTWSBTM-XCBNKYQSSA-N	-1	1	307.699	3.459	10	0		DGAEMM
[O-]c1cc(OC(F)(F)F)c(I)cc1F	ZINC000575707410	435049466	/nfs/dbraw/zinc/04/94/66/435049466.db2.gz	ZQDVUXNFXGIEHX-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1	ZINC000476417612	435234983	/nfs/dbraw/zinc/23/49/83/435234983.db2.gz	XKTDVIZVZQDIQK-UHFFFAOYSA-N	-1	1	321.373	3.260	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2noc3c2CCCC3)[n-]1	ZINC000195084012	546252366	/nfs/dbraw/zinc/25/23/66/546252366.db2.gz	GKKUKPFHGIEITJ-UHFFFAOYSA-N	-1	1	303.387	3.219	10	0		DGAEMM
Cc1nc([N-]S(=O)(=O)/C=C/c2ccccc2)cc(C2CC2)n1	ZINC000127489411	624420915	/nfs/dbraw/zinc/42/09/15/624420915.db2.gz	BVPBRSAAAIYZCR-MDZDMXLPSA-N	-1	1	315.398	3.075	10	0		DGAEMM
CC(C)c1ccc([C@@H]2C[C@H]2C(=O)[N-]O[C@H]2CCCCO2)cc1	ZINC000246825449	657003449	/nfs/dbraw/zinc/00/34/49/657003449.db2.gz	BNOVYTYPUZAXMK-BBWFWOEESA-N	-1	1	303.402	3.488	10	0		DGAEMM
COc1cccc(Cl)c1CC(=O)[N-]OCc1ccc(F)cc1	ZINC000184534271	660171856	/nfs/dbraw/zinc/17/18/56/660171856.db2.gz	FNUWZGBJKKGRSS-UHFFFAOYSA-N	-1	1	323.751	3.278	10	0		DGAEMM
O=C(NC1(C2CC2)CCC1)c1ccc(Br)c([O-])c1	ZINC000717889377	662195969	/nfs/dbraw/zinc/19/59/69/662195969.db2.gz	UJFCHPHJODNGEO-UHFFFAOYSA-N	-1	1	310.191	3.217	10	0		DGAEMM
O=C(N[C@@H]1CC2CCC1CC2)c1cc(Br)ccc1[O-]	ZINC000311692836	1199744591	/nfs/dbraw/zinc/74/45/91/1199744591.db2.gz	KQKLJJUMWSMFCT-SRHKJQAYSA-N	-1	1	324.218	3.463	10	0		DGAEMM
C[C@@H](c1ccccc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000079095104	185157794	/nfs/dbraw/zinc/15/77/94/185157794.db2.gz	VHAQGNJOBVSWMY-LBPRGKRZSA-N	-1	1	307.353	3.169	10	0		DGAEMM
C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-]	ZINC000179527845	199050237	/nfs/dbraw/zinc/05/02/37/199050237.db2.gz	PYCUKBAALRPWOP-PXAZEXFGSA-N	-1	1	315.344	3.134	10	0		DGAEMM
O=C(C[C@@H]1CCCc2ccccc21)Nc1n[n-]c(C(F)(F)F)n1	ZINC000170978781	432090935	/nfs/dbraw/zinc/09/09/35/432090935.db2.gz	MQCKYBQFKLZJTC-JTQLQIEISA-N	-1	1	324.306	3.272	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C)c(C)c3)ccc12	ZINC000093909393	193327812	/nfs/dbraw/zinc/32/78/12/193327812.db2.gz	CSMVQUVZIYBGDK-UHFFFAOYSA-N	-1	1	315.398	3.289	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N[C@H]1CC[C@H](C)CC1	ZINC000253550958	285110928	/nfs/dbraw/zinc/11/09/28/285110928.db2.gz	IXPOQLXEYPOVRZ-UMSPYCQHSA-N	-1	1	305.422	3.097	10	0		DGAEMM
COc1ccc(C(=O)Nc2cccc([C@H](C)OC)c2)c([O-])c1	ZINC000170730503	533348965	/nfs/dbraw/zinc/34/89/65/533348965.db2.gz	KDZSUTCWANVLCL-NSHDSACASA-N	-1	1	301.342	3.361	10	0		DGAEMM
O=C1c2c([O-])ccc(Cl)c2C(=O)c2c(Cl)ccc(O)c21	ZINC000005608134	400088987	/nfs/dbraw/zinc/08/89/87/400088987.db2.gz	FMYVSOYHWYHDAG-UHFFFAOYSA-N	-1	1	309.104	3.180	10	0		DGAEMM
Cc1nc(-c2ccc(N3CC[C@H]4CCCC[C@@H]43)nc2)[n-]c(=O)c1C	ZINC000080972617	401009016	/nfs/dbraw/zinc/00/90/16/401009016.db2.gz	ATPWVWXWJBBKPR-ZBFHGGJFSA-N	-1	1	324.428	3.218	10	0		DGAEMM
Cc1cccc2c1OCC[C@H]2NC(=O)c1ccc([O-])cc1F	ZINC000191449811	165249648	/nfs/dbraw/zinc/24/96/48/165249648.db2.gz	PALBGDXAAFJEKS-OAHLLOKOSA-N	-1	1	301.317	3.093	10	0		DGAEMM
COCc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)o1	ZINC000182124784	432159815	/nfs/dbraw/zinc/15/98/15/432159815.db2.gz	DBDUTVBLBLLYGT-UHFFFAOYSA-N	-1	1	321.383	3.258	10	0		DGAEMM
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1	ZINC000074842569	263526440	/nfs/dbraw/zinc/52/64/40/263526440.db2.gz	VWHPQMPDBUFLFB-UHFFFAOYSA-N	-1	1	314.366	3.171	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H]1c1cc[nH]n1	ZINC000370476225	271362668	/nfs/dbraw/zinc/36/26/68/271362668.db2.gz	HPVYLRJPJBFJHL-MRXNPFEDSA-N	-1	1	307.353	3.246	10	0		DGAEMM
Cc1nc2c(s1)[C@@H](N(C)C(=O)c1ncc(C)cc1[O-])CCC2	ZINC000408229036	279115938	/nfs/dbraw/zinc/11/59/38/279115938.db2.gz	LZTVSCJCRFTHES-LBPRGKRZSA-N	-1	1	317.414	3.010	10	0		DGAEMM
CCc1ccc([C@@H]2CCCCN2C(=O)c2ncccc2[O-])o1	ZINC000127517502	431974188	/nfs/dbraw/zinc/97/41/88/431974188.db2.gz	KXBSHTIFIIGFDV-ZDUSSCGKSA-N	-1	1	300.358	3.310	10	0		DGAEMM
Cc1nc(C(=O)[N-]c2nnc(C)s2)c(-c2ccccc2)o1	ZINC000183728939	432320042	/nfs/dbraw/zinc/32/00/42/432320042.db2.gz	WRURPAPQADQFCS-UHFFFAOYSA-N	-1	1	300.343	3.062	10	0		DGAEMM
CC(C)C[C@@H](C)N(C)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195082105	432600824	/nfs/dbraw/zinc/60/08/24/432600824.db2.gz	XUNRDBZNZKTABL-LLVKDONJSA-N	-1	1	323.462	3.045	10	0		DGAEMM
COC(=O)c1ccccc1CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195078679	432600917	/nfs/dbraw/zinc/60/09/17/432600917.db2.gz	CCAKQUFQNQQZRD-UHFFFAOYSA-N	-1	1	316.382	3.139	10	0		DGAEMM
CC(C)[C@@H](C)CNC(=O)c1cc(Br)ccc1[O-]	ZINC000218834554	432661236	/nfs/dbraw/zinc/66/12/36/432661236.db2.gz	PJMFOHRIKIMNFV-VIFPVBQESA-N	-1	1	300.196	3.177	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2cc(C)c(Cl)s2)[nH]n1	ZINC000231809875	432735166	/nfs/dbraw/zinc/73/51/66/432735166.db2.gz	HZLLFJSWFOZOSC-UHFFFAOYSA-N	-1	1	319.839	3.186	10	0		DGAEMM
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-]	ZINC000436825706	434125759	/nfs/dbraw/zinc/12/57/59/434125759.db2.gz	HPTWNOBCTWSBTM-XVKPBYJWSA-N	-1	1	307.699	3.459	10	0		DGAEMM
CO[C@H](C)c1nc(=N[C@H](C)CCOCc2ccccc2)s[n-]1	ZINC000340995202	434477859	/nfs/dbraw/zinc/47/78/59/434477859.db2.gz	MXIKOMZBEUYXCE-CHWSQXEVSA-N	-1	1	321.446	3.075	10	0		DGAEMM
Cc1ccc([O-])c(Br)c1I	ZINC000575693396	435045458	/nfs/dbraw/zinc/04/54/58/435045458.db2.gz	SLTNBQASBSIMNR-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
Cc1cc(C)c(-c2ccc3n[nH+]c(C(=O)[O-])c([O-])c3c2)c(C)c1	ZINC000098180361	301161164	/nfs/dbraw/zinc/16/11/64/301161164.db2.gz	NKVVFGGGHIOEAT-UHFFFAOYSA-N	-1	1	308.337	3.214	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@@H](C)c2ccc(Cl)c(Cl)c2)C1	ZINC000530169450	313331380	/nfs/dbraw/zinc/33/13/80/313331380.db2.gz	IFDAUDWYNUKKOL-LKFCYVNXSA-N	-1	1	318.200	3.230	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CC3)c(C)s1	ZINC000181163316	323247343	/nfs/dbraw/zinc/24/73/43/323247343.db2.gz	DDWPRPPAYVIBEF-UHFFFAOYSA-N	-1	1	322.455	3.158	10	0		DGAEMM
CC(=O)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1	ZINC000413001587	527150989	/nfs/dbraw/zinc/15/09/89/527150989.db2.gz	DHNIQXXYXDPKSL-HNNXBMFYSA-N	-1	1	300.383	3.482	10	0		DGAEMM
CC(C)Cn1ccnc1CNC(=O)c1cc2ccccc2cc1[O-]	ZINC000175925956	528730543	/nfs/dbraw/zinc/73/05/43/528730543.db2.gz	JCSYRXUDOLOYQK-UHFFFAOYSA-N	-1	1	323.396	3.328	10	0		DGAEMM
CC(C)[C@@H]1CCN(C(=O)c2cc(Br)ccc2[O-])C1	ZINC000228296474	546269891	/nfs/dbraw/zinc/26/98/91/546269891.db2.gz	HQAPFWWITGAHDQ-SNVBAGLBSA-N	-1	1	312.207	3.273	10	0		DGAEMM
CC(C)[C@@H](C(=O)N[C@H](C)c1cc(=O)[nH][n-]1)c1cccc(Cl)c1	ZINC000898871803	619296920	/nfs/dbraw/zinc/29/69/20/619296920.db2.gz	PHQDWOBYNVJHJR-MEBBXXQBSA-N	-1	1	321.808	3.386	10	0		DGAEMM
CN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCCCCC1	ZINC000131759459	626676144	/nfs/dbraw/zinc/67/61/44/626676144.db2.gz	KCGMVUFKTBXXME-UHFFFAOYSA-N	-1	1	313.401	3.108	10	0		DGAEMM
C[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1	ZINC000709342508	660928165	/nfs/dbraw/zinc/92/81/65/660928165.db2.gz	PXBVRUNNQYBRPC-GFCCVEGCSA-N	-1	1	307.699	3.460	10	0		DGAEMM
C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1csc(Br)c1	ZINC000235363138	655885998	/nfs/dbraw/zinc/88/59/98/655885998.db2.gz	DLKQQMMOFDYKED-PSASIEDQSA-N	-1	1	318.236	3.196	10	0		DGAEMM
Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c1C	ZINC000312173577	656108608	/nfs/dbraw/zinc/10/86/08/656108608.db2.gz	VBMAQGLLTMFREG-FPLPWBNLSA-N	-1	1	311.794	3.093	10	0		DGAEMM
N#Cc1ccc(O)c(NC(=O)c2cc(F)c([O-])c(Cl)c2)c1	ZINC000187370952	661285481	/nfs/dbraw/zinc/28/54/81/661285481.db2.gz	ZAGUJMUVCUTJOA-UHFFFAOYSA-N	-1	1	306.680	3.014	10	0		DGAEMM
O=C(NCC1=CCCCC1)c1cc(Br)ccc1[O-]	ZINC000380140608	1177712298	/nfs/dbraw/zinc/71/22/98/1177712298.db2.gz	GELHNEWLGKHAQS-UHFFFAOYSA-N	-1	1	310.191	3.385	10	0		DGAEMM
C[C@@H](NC(=O)c1ccc(Br)cc1[O-])C1CCCC1	ZINC000070308306	1195862087	/nfs/dbraw/zinc/86/20/87/1195862087.db2.gz	ZKHLDLFDCVPYQF-SECBINFHSA-N	-1	1	312.207	3.463	10	0		DGAEMM
CC(C)[C@@H](NC(=O)c1ccc(Br)cc1[O-])C1CC1	ZINC000323925996	1197691350	/nfs/dbraw/zinc/69/13/50/1197691350.db2.gz	XFAUOYQQFMCXTG-CYBMUJFWSA-N	-1	1	312.207	3.319	10	0		DGAEMM
O=C(Nc1cccc(F)c1[O-])c1cc(Cl)nc(Cl)c1	ZINC000707957565	1082502979	/nfs/dbraw/zinc/50/29/79/1082502979.db2.gz	NCOLNOASXKVPJZ-UHFFFAOYSA-N	-1	1	301.104	3.485	10	0		DGAEMM
CC[C@@H](C)CN(CC)C(=O)c1cnc2nc(C)ccc2c1[O-]	ZINC000131161885	432033178	/nfs/dbraw/zinc/03/31/78/432033178.db2.gz	PFPLTEGWJOMZHI-LLVKDONJSA-N	-1	1	301.390	3.152	10	0		DGAEMM
CC[C@@H](C)CN(CC)C(=O)c1c[n-]c2nc(C)ccc2c1=O	ZINC000131161885	432033181	/nfs/dbraw/zinc/03/31/81/432033181.db2.gz	PFPLTEGWJOMZHI-LLVKDONJSA-N	-1	1	301.390	3.152	10	0		DGAEMM
C[C@@H](c1ccc(Br)s1)N1CCC[C@@H](C(=O)[O-])C1	ZINC000003764103	181045408	/nfs/dbraw/zinc/04/54/08/181045408.db2.gz	GACMYOOYMIJAIY-DTWKUNHWSA-N	-1	1	318.236	3.368	10	0		DGAEMM
CC(C)c1cccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1	ZINC000131409205	432036898	/nfs/dbraw/zinc/03/68/98/432036898.db2.gz	HMKLEGNDMMDLBL-UHFFFAOYSA-N	-1	1	309.362	3.456	10	0		DGAEMM
CC[C@H](C)Oc1cc(=O)[n-]c(Sc2cccc(OC)c2)n1	ZINC000005885373	181293054	/nfs/dbraw/zinc/29/30/54/181293054.db2.gz	JKIVBKNDIQQTKV-JTQLQIEISA-N	-1	1	306.387	3.107	10	0		DGAEMM
C[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1	ZINC000188132343	200198772	/nfs/dbraw/zinc/19/87/72/200198772.db2.gz	UPQYMUCHZLRUOG-SNVBAGLBSA-N	-1	1	315.398	3.179	10	0		DGAEMM
Cc1nc([C@@H]2CCCN2C(=O)c2ccc([O-])cc2F)cs1	ZINC000190007692	432111678	/nfs/dbraw/zinc/11/16/78/432111678.db2.gz	DPCCQWDSQYYEON-AWEZNQCLSA-N	-1	1	306.362	3.274	10	0		DGAEMM
COc1cc2nc(-c3cc(C)cc(C)c3)[n-]c(=O)c2cc1OC	ZINC000108463642	284061172	/nfs/dbraw/zinc/06/11/72/284061172.db2.gz	XAMLBNXYPBZDIC-UHFFFAOYSA-N	-1	1	310.353	3.224	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc12	ZINC000093909353	193327649	/nfs/dbraw/zinc/32/76/49/193327649.db2.gz	WBTVSLNYSGVJFN-UHFFFAOYSA-N	-1	1	321.789	3.326	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc12	ZINC000093909353	193327651	/nfs/dbraw/zinc/32/76/51/193327651.db2.gz	WBTVSLNYSGVJFN-UHFFFAOYSA-N	-1	1	321.789	3.326	10	0		DGAEMM
Cc1cnn([C@H]2CCCN(C(=O)c3ccc(Cl)cc3[O-])C2)c1	ZINC000105885847	194157819	/nfs/dbraw/zinc/15/78/19/194157819.db2.gz	ALBSXVDCDDSJCN-ZDUSSCGKSA-N	-1	1	319.792	3.028	10	0		DGAEMM
CCN(Cc1cccs1)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000074272621	184968360	/nfs/dbraw/zinc/96/83/60/184968360.db2.gz	VQYOZZISZBFXEV-UHFFFAOYSA-N	-1	1	313.382	3.059	10	0		DGAEMM
Cn1c(=O)c([O-])cnc1-c1cccc(-c2cccc3[nH]ccc32)c1	ZINC000118894599	400432311	/nfs/dbraw/zinc/43/23/11/400432311.db2.gz	KWQQBUJEAGMQJV-UHFFFAOYSA-N	-1	1	317.348	3.301	10	0		DGAEMM
O=C(NC[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(Br)c([O-])c1	ZINC000618505828	400605286	/nfs/dbraw/zinc/60/52/86/400605286.db2.gz	NPGIDUHJWRAMCT-ZMLRMANQSA-N	-1	1	324.218	3.321	10	0		DGAEMM
CC(=O)c1cccc(O[C@H](C)C(=O)Nc2c([O-])cccc2F)c1	ZINC000605438307	400861952	/nfs/dbraw/zinc/86/19/52/400861952.db2.gz	DPYVFFULBXYTKU-LLVKDONJSA-N	-1	1	317.316	3.140	10	0		DGAEMM
O=C(c1ccc2ccccc2c1[O-])N1CCCC[C@@H]1c1nc[nH]n1	ZINC000182108089	432158329	/nfs/dbraw/zinc/15/83/29/432158329.db2.gz	AGCLFICTNCALBH-OAHLLOKOSA-N	-1	1	322.368	3.031	10	0		DGAEMM
C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C1CCCC1	ZINC000179327038	228350967	/nfs/dbraw/zinc/35/09/67/228350967.db2.gz	KNPYWIVBPUVQKR-VIFPVBQESA-N	-1	1	312.207	3.463	10	0		DGAEMM
O=S(=O)([N-]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1F	ZINC000111358734	431216015	/nfs/dbraw/zinc/21/60/15/431216015.db2.gz	JDHWRXNSARFUHG-TZMCWYRMSA-N	-1	1	323.364	3.047	10	0		DGAEMM
O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)ccc1[O-]	ZINC000007215203	431338479	/nfs/dbraw/zinc/33/84/79/431338479.db2.gz	CJYAUDZRRHYDMG-CYBMUJFWSA-N	-1	1	303.745	3.299	10	0		DGAEMM
CCc1cnc(CCNC(=O)c2cc(Cl)ccc2[O-])s1	ZINC000075181688	431461285	/nfs/dbraw/zinc/46/12/85/431461285.db2.gz	WJDYDKLUUOXWBT-UHFFFAOYSA-N	-1	1	310.806	3.037	10	0		DGAEMM
C[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]1c1ccccc1	ZINC000075539424	431483269	/nfs/dbraw/zinc/48/32/69/431483269.db2.gz	UGKSWVBKRYUWOP-MLGOLLRUSA-N	-1	1	319.364	3.169	10	0		DGAEMM
O=C([O-])[C@H]1Cc2ccc(Cl)cc2CN1Cc1ccccc1	ZINC000008698954	280072282	/nfs/dbraw/zinc/07/22/82/280072282.db2.gz	UDRVQEQRTBTYAW-MRXNPFEDSA-N	-1	1	301.773	3.352	10	0		DGAEMM
COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1F	ZINC000048655197	431930371	/nfs/dbraw/zinc/93/03/71/431930371.db2.gz	MTXUJALFDWDNKY-UHFFFAOYSA-N	-1	1	315.391	3.313	10	0		DGAEMM
Cc1ccc(-n2cccn2)cc1NC(=O)c1ccc([O-])cc1F	ZINC000191838671	432308384	/nfs/dbraw/zinc/30/83/84/432308384.db2.gz	DBAZJUAEBNQVQW-UHFFFAOYSA-N	-1	1	311.316	3.278	10	0		DGAEMM
CCCC[C@@H](CCC)NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000176506468	432530221	/nfs/dbraw/zinc/53/02/21/432530221.db2.gz	GGVFRYXMNJGVOV-GFCCVEGCSA-N	-1	1	301.390	3.012	10	0		DGAEMM
CCc1ccccc1S(=O)(=O)[N-]c1ccc2c(C)n[nH]c2c1	ZINC000187605475	432672195	/nfs/dbraw/zinc/67/21/95/432672195.db2.gz	GCXZMBCYADCQKS-UHFFFAOYSA-N	-1	1	315.398	3.235	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2ccsc2)C1	ZINC000163389715	432850546	/nfs/dbraw/zinc/85/05/46/432850546.db2.gz	HHHGGKMFUPJNEA-AWEZNQCLSA-N	-1	1	323.801	3.321	10	0		DGAEMM
COc1cc(C)cc([N-]S(=O)(=O)c2cccc(C)c2)c1C	ZINC000447268197	433175754	/nfs/dbraw/zinc/17/57/54/433175754.db2.gz	UNTCUYUCWJTELI-UHFFFAOYSA-N	-1	1	305.399	3.421	10	0		DGAEMM
O=C(N[C@@H]1CC12CCCC2)c1ccc(Br)c([O-])c1	ZINC000386970056	434316802	/nfs/dbraw/zinc/31/68/02/434316802.db2.gz	GHBPDVJBPOCYCG-GFCCVEGCSA-N	-1	1	310.191	3.217	10	0		DGAEMM
Cc1c(C(=O)Nc2cc(C)cc(Br)c2[O-])ccn1C	ZINC000192579269	546234126	/nfs/dbraw/zinc/23/41/26/546234126.db2.gz	IIYVALAOWHFQNA-UHFFFAOYSA-N	-1	1	323.190	3.362	10	0		DGAEMM
O=C(N[C@H]1CCCC1(F)F)c1cc(Br)ccc1[O-]	ZINC000398324604	575962128	/nfs/dbraw/zinc/96/21/28/575962128.db2.gz	KKBWSIJGPPPVRY-JTQLQIEISA-N	-1	1	320.133	3.072	10	0		DGAEMM
CC(C)c1cc([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n[nH]1	ZINC000178027130	655952822	/nfs/dbraw/zinc/95/28/22/655952822.db2.gz	UXKWPBUZGBJDRW-BQYQJAHWSA-N	-1	1	309.366	3.085	10	0		DGAEMM
O=S(=O)(/C=C\c1ccccc1)[N-]c1cc(Cl)ccc1O	ZINC000299737912	656222869	/nfs/dbraw/zinc/22/28/69/656222869.db2.gz	TZFKULQCNHDISX-HJWRWDBZSA-N	-1	1	309.774	3.458	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)cc1[O-]	ZINC000403661268	1199513809	/nfs/dbraw/zinc/51/38/09/1199513809.db2.gz	STKOKGUZHKLRKR-MXWKQRLJSA-N	-1	1	324.218	3.321	10	0		DGAEMM
O=C(N[C@H]1CC2CCC1CC2)c1ccc(Br)cc1[O-]	ZINC000312103119	1199748998	/nfs/dbraw/zinc/74/89/98/1199748998.db2.gz	VPXJSGVYFYMACW-ZPPKWKGLSA-N	-1	1	324.218	3.463	10	0		DGAEMM
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(Br)ccc1[O-]	ZINC000403656654	1094159734	/nfs/dbraw/zinc/15/97/34/1094159734.db2.gz	SDVXGMDQTYTCBB-ATZCPNFKSA-N	-1	1	310.191	3.073	10	0		DGAEMM
O=C(NCC[C@@H]1CC[C@H]2C[C@H]21)c1ccc(Br)cc1[O-]	ZINC000717166812	1104218509	/nfs/dbraw/zinc/21/85/09/1104218509.db2.gz	VKNUGRPPFOOQFU-KWBADKCTSA-N	-1	1	324.218	3.321	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2ccc(F)c(Cl)c2)[n-]1	ZINC000090371060	185293095	/nfs/dbraw/zinc/29/30/95/185293095.db2.gz	UDRFTCYEQGIKHV-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
CC(C)(C)C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1	ZINC000172031337	198028507	/nfs/dbraw/zinc/02/85/07/198028507.db2.gz	IXVOFRATKZDGAA-UHFFFAOYSA-N	-1	1	305.447	3.243	10	0		DGAEMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(C)=O	ZINC000001195397	180849470	/nfs/dbraw/zinc/84/94/70/180849470.db2.gz	DYXYSZITKNGJOS-KPKJPENVSA-N	-1	1	323.395	3.340	10	0		DGAEMM
O=c1c2ccccc2[n-]cc1S(=O)(=O)c1ccc(Cl)cc1	ZINC000004903846	181170990	/nfs/dbraw/zinc/17/09/90/181170990.db2.gz	HXBZBHPCRBTCCN-UHFFFAOYSA-N	-1	1	319.769	3.014	10	0		DGAEMM
Cc1cccc(CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1	ZINC000005155106	181211364	/nfs/dbraw/zinc/21/13/64/181211364.db2.gz	NODUYFUUPSPJMQ-UHFFFAOYSA-N	-1	1	300.305	3.389	10	0		DGAEMM
C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-]	ZINC000179527853	432061213	/nfs/dbraw/zinc/06/12/13/432061213.db2.gz	PYCUKBAALRPWOP-SJCJKPOMSA-N	-1	1	315.344	3.134	10	0		DGAEMM
CC(C)c1noc([C@@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1	ZINC000188149320	200201134	/nfs/dbraw/zinc/20/11/34/200201134.db2.gz	SMOFXNVUJWJSLE-MRVPVSSYSA-N	-1	1	306.391	3.419	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccc([O-])c1Cl	ZINC000262295997	304144993	/nfs/dbraw/zinc/14/49/93/304144993.db2.gz	WTZKJUCOXIEWFI-UHTWSYAYSA-N	-1	1	309.793	3.263	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc([O-])c1Cl	ZINC000262295997	304144994	/nfs/dbraw/zinc/14/49/94/304144994.db2.gz	WTZKJUCOXIEWFI-UHTWSYAYSA-N	-1	1	309.793	3.263	10	0		DGAEMM
Nc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000021507909	182275519	/nfs/dbraw/zinc/27/55/19/182275519.db2.gz	RAHCTUXIEXYBIL-UHFFFAOYSA-N	-1	1	317.197	3.376	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(NCc2ccc(F)cc2Cl)[n-]1	ZINC000057342727	184034278	/nfs/dbraw/zinc/03/42/78/184034278.db2.gz	QKVMMOUXKYOPOQ-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
C[C@H](NC(=O)c1cncc([O-])c1)c1ccc(-c2cccnc2)cc1	ZINC000174978850	252683769	/nfs/dbraw/zinc/68/37/69/252683769.db2.gz	MOISCEOORGBFTK-ZDUSSCGKSA-N	-1	1	319.364	3.340	10	0		DGAEMM
O=[N+]([O-])c1cc2[n-]c(C(F)(F)F)nc2c(Br)c1	ZINC000005425273	400087398	/nfs/dbraw/zinc/08/73/98/400087398.db2.gz	RJHWHAVCPNBCTM-UHFFFAOYSA-N	-1	1	310.029	3.252	10	0		DGAEMM
O=[N+]([O-])c1cc2nc(C(F)(F)F)[n-]c2c(Br)c1	ZINC000005425273	400087404	/nfs/dbraw/zinc/08/74/04/400087404.db2.gz	RJHWHAVCPNBCTM-UHFFFAOYSA-N	-1	1	310.029	3.252	10	0		DGAEMM
C=C[C@@H](C)OC(C(=O)OC(C)(C)C)=C([O-])c1ccccc1F	ZINC000142839266	400632468	/nfs/dbraw/zinc/63/24/68/400632468.db2.gz	KGLLLFAJIAUYMA-ABAIWWIYSA-N	-1	1	308.349	3.310	10	0		DGAEMM
Cn1c(=O)c(-c2ccc([O-])c(F)c2)cnc1Oc1ccccc1	ZINC000166587007	400755852	/nfs/dbraw/zinc/75/58/52/400755852.db2.gz	CBKQKUOXSFRGEA-UHFFFAOYSA-N	-1	1	312.300	3.084	10	0		DGAEMM
CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2c([O-])cccc2F)c1	ZINC000605438317	400862121	/nfs/dbraw/zinc/86/21/21/400862121.db2.gz	DPYVFFULBXYTKU-NSHDSACASA-N	-1	1	317.316	3.140	10	0		DGAEMM
Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc([O-])cc1F	ZINC000188099044	165112746	/nfs/dbraw/zinc/11/27/46/165112746.db2.gz	PALBGDXAAFJEKS-HNNXBMFYSA-N	-1	1	301.317	3.093	10	0		DGAEMM
O=S(=O)([N-]Cc1cccc(F)c1)c1c(F)cccc1Cl	ZINC000131163497	196146026	/nfs/dbraw/zinc/14/60/26/196146026.db2.gz	KZASKXFMZNBVME-UHFFFAOYSA-N	-1	1	317.744	3.097	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCO[C@@H](c2cccs2)C1	ZINC000134349609	196380618	/nfs/dbraw/zinc/38/06/18/196380618.db2.gz	MYXTZYVMFZZUFX-CYBMUJFWSA-N	-1	1	323.801	3.321	10	0		DGAEMM
Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1	ZINC000193475711	228570932	/nfs/dbraw/zinc/57/09/32/228570932.db2.gz	TXMWWFVPAQMWTL-UHFFFAOYSA-N	-1	1	304.346	3.416	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N(Cc1ccccc1)C1CC1	ZINC000074273609	431409776	/nfs/dbraw/zinc/40/97/76/431409776.db2.gz	XJFIXWPJYYIRJW-UHFFFAOYSA-N	-1	1	319.364	3.140	10	0		DGAEMM
Cc1c(F)cccc1-c1ccc(CN2CCC[C@@H]2C(=O)[O-])o1	ZINC000263423284	432543648	/nfs/dbraw/zinc/54/36/48/432543648.db2.gz	PPNANVNRVLVNID-OAHLLOKOSA-N	-1	1	303.333	3.443	10	0		DGAEMM
CC(C)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)NC(C)(C)C	ZINC000195080753	432599931	/nfs/dbraw/zinc/59/99/31/432599931.db2.gz	ZAMYINAVARBTAF-ZDUSSCGKSA-N	-1	1	323.462	3.091	10	0		DGAEMM
COC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccccc1	ZINC000436661058	434059113	/nfs/dbraw/zinc/05/91/13/434059113.db2.gz	UXYUJBNPVBGICE-CQSZACIVSA-N	-1	1	305.761	3.163	10	0		DGAEMM
O=C(NCCOCc1ccc(Cl)cc1)c1c([O-])cccc1F	ZINC000436990423	434198575	/nfs/dbraw/zinc/19/85/75/434198575.db2.gz	RSAPLYVLQRCLCK-UHFFFAOYSA-N	-1	1	323.751	3.131	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@H](C)c2ccc(Cl)cc2Cl)C1	ZINC000530169447	313331335	/nfs/dbraw/zinc/33/13/35/313331335.db2.gz	IDCLKXUXHHCDSN-OTYXRUKQSA-N	-1	1	318.200	3.230	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@H](C)c2ccc(Cl)c(Cl)c2)C1	ZINC000530169453	313331699	/nfs/dbraw/zinc/33/16/99/313331699.db2.gz	IFDAUDWYNUKKOL-YMTOWFKASA-N	-1	1	318.200	3.230	10	0		DGAEMM
O=C(N[C@H]1CC12CCCC2)c1ccc(Br)c([O-])c1	ZINC000386970060	323641255	/nfs/dbraw/zinc/64/12/55/323641255.db2.gz	GHBPDVJBPOCYCG-LBPRGKRZSA-N	-1	1	310.191	3.217	10	0		DGAEMM
C[C@@H](COCc1ccccc1)NC(=O)c1ccc(Cl)cc1[O-]	ZINC000390778919	546755796	/nfs/dbraw/zinc/75/57/96/546755796.db2.gz	HRFHTMHIIIACGJ-LBPRGKRZSA-N	-1	1	319.788	3.381	10	0		DGAEMM
Cc1n[n-]c2cc(Br)cc(Br)c2c1=O	ZINC000667363243	547160895	/nfs/dbraw/zinc/16/08/95/547160895.db2.gz	ZAXSSBNOOXWDBG-UHFFFAOYSA-N	-1	1	317.968	3.169	10	0		DGAEMM
CCc1ccc([C@@H](C)NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1	ZINC000899965808	619386510	/nfs/dbraw/zinc/38/65/10/619386510.db2.gz	WZZIJLVSQRHFQB-LLVKDONJSA-N	-1	1	311.385	3.113	10	0		DGAEMM
CC(C)(C)c1cc([N-]S(=O)(=O)C=Cc2ccccc2)n[nH]1	ZINC000134707134	626885742	/nfs/dbraw/zinc/88/57/42/626885742.db2.gz	MZPZWLSHRXDKJM-MDZDMXLPSA-N	-1	1	305.403	3.120	10	0		DGAEMM
C[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)cc2[O-])C1	ZINC000709345530	660928157	/nfs/dbraw/zinc/92/81/57/660928157.db2.gz	YLTOIZKKDHTAQM-LBPRGKRZSA-N	-1	1	307.699	3.460	10	0		DGAEMM
C=CCCC[C@H](C)OC(=O)CCc1c(C)nc(SC)[n-]c1=O	ZINC000091120432	655762223	/nfs/dbraw/zinc/76/22/23/655762223.db2.gz	WTDFDSZFCXSGTF-NSHDSACASA-N	-1	1	324.446	3.021	10	0		DGAEMM
CN(CC(=O)[N-]OCc1ccccc1)Cc1ccc(Cl)cc1	ZINC000161946283	655833121	/nfs/dbraw/zinc/83/31/21/655833121.db2.gz	GEMPBLYVOFUXKA-UHFFFAOYSA-N	-1	1	318.804	3.020	10	0		DGAEMM
C[C@@H](C(=O)[O-])N(Cc1cc(F)ccc1Br)C1CC1	ZINC000263312490	658197198	/nfs/dbraw/zinc/19/71/98/658197198.db2.gz	GXTLDWSTAPNJFS-QMMMGPOBSA-N	-1	1	316.170	3.026	10	0		DGAEMM
CC1(NC(=O)c2cc(Br)ccc2[O-])CC(F)(F)C1	ZINC000720942263	658238003	/nfs/dbraw/zinc/23/80/03/658238003.db2.gz	UYIJWJXJLUVMRP-UHFFFAOYSA-N	-1	1	320.133	3.072	10	0		DGAEMM
CC(C)[C@@H](C)CNC(=O)Cn1c(-c2cccs2)n[n-]c1=S	ZINC000172579236	659345356	/nfs/dbraw/zinc/34/53/56/659345356.db2.gz	JPHRSNWHRPXLDH-JTQLQIEISA-N	-1	1	324.475	3.077	10	0		DGAEMM
CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044491000	1194282958	/nfs/dbraw/zinc/28/29/58/1194282958.db2.gz	BEMZDCRNQFFUTM-RKDXNWHRSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CC(C)C[C@@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044490636	1082003713	/nfs/dbraw/zinc/00/37/13/1082003713.db2.gz	UJAVGFAJVABAHX-SECBINFHSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CC(=Cc1ccc(C)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000588399374	1082140431	/nfs/dbraw/zinc/14/04/31/1082140431.db2.gz	YUJYNBFRGZHHFH-CLFYSBASSA-N	-1	1	310.279	3.174	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H]1C1CCCC1	ZINC000079426806	185171132	/nfs/dbraw/zinc/17/11/32/185171132.db2.gz	SSMHLZGHJZBLQY-HNNXBMFYSA-N	-1	1	311.385	3.130	10	0		DGAEMM
CC(C)(C)c1ccccc1NS(=O)(=O)c1ccccc1[O-]	ZINC000071660645	191000298	/nfs/dbraw/zinc/00/02/98/191000298.db2.gz	WGKMGXILOGBLCP-UHFFFAOYSA-N	-1	1	305.399	3.491	10	0		DGAEMM
CC[C@@H](C)Oc1cc(=O)[n-]c(Sc2ccccc2OC)n1	ZINC000005884723	181293149	/nfs/dbraw/zinc/29/31/49/181293149.db2.gz	JOUSQDZVWBNWTC-SNVBAGLBSA-N	-1	1	306.387	3.107	10	0		DGAEMM
O=S(=O)([N-][C@H]1CCC12CCCC2)c1sccc1Cl	ZINC000451465558	241133202	/nfs/dbraw/zinc/13/32/02/241133202.db2.gz	MWSRMWFYICTUMU-JTQLQIEISA-N	-1	1	305.852	3.403	10	0		DGAEMM
COc1ccc(OC)c([C@H](C)NC(=O)c2c([O-])cccc2F)c1	ZINC000119146166	284135964	/nfs/dbraw/zinc/13/59/64/284135964.db2.gz	HOHLWFBMJFKMRQ-JTQLQIEISA-N	-1	1	319.332	3.040	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)[nH]n1	ZINC000126497016	284307052	/nfs/dbraw/zinc/30/70/52/284307052.db2.gz	DTRSXLZNELWHQA-UHFFFAOYSA-N	-1	1	313.810	3.125	10	0		DGAEMM
O=C([O-])c1ccc(F)cc1NC(=O)c1ccc(Cl)cc1O	ZINC000020011379	182177574	/nfs/dbraw/zinc/17/75/74/182177574.db2.gz	CHCSYEITOLVAAL-UHFFFAOYSA-N	-1	1	309.680	3.135	10	0		DGAEMM
CC[C@@]1(C(=O)[O-])CCN(Cc2csc(Br)c2)C1	ZINC000062937010	184261437	/nfs/dbraw/zinc/26/14/37/184261437.db2.gz	ZSUPDKYJEXVJIS-GFCCVEGCSA-N	-1	1	318.236	3.197	10	0		DGAEMM
COc1ccccc1C(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188144948	400907422	/nfs/dbraw/zinc/90/74/22/400907422.db2.gz	JLWGLZJNCSQSDO-UHFFFAOYSA-N	-1	1	316.382	3.043	10	0		DGAEMM
O=C([N-]c1c(F)cccc1F)c1ncsc1Br	ZINC000360919697	286554556	/nfs/dbraw/zinc/55/45/56/286554556.db2.gz	UWFJGMNVTGKUFP-UHFFFAOYSA-N	-1	1	319.130	3.436	10	0		DGAEMM
CSc1nsc([N-]C(=O)c2oc(CC(C)C)nc2C)n1	ZINC000188129981	165114404	/nfs/dbraw/zinc/11/44/04/165114404.db2.gz	FMNAGHBSXZTWTN-UHFFFAOYSA-N	-1	1	312.420	3.007	10	0		DGAEMM
O=S(=O)([N-]C[C@H]1C[C@H]1c1ccccc1)c1cccc(F)c1F	ZINC000111358118	431215642	/nfs/dbraw/zinc/21/56/42/431215642.db2.gz	GYOQTJKFOUOBPF-OLZOCXBDSA-N	-1	1	323.364	3.047	10	0		DGAEMM
O=c1nc(CN2CCC[C@@]3(CC=CCC3)C2)[n-]c2ccsc21	ZINC000114495186	431395898	/nfs/dbraw/zinc/39/58/98/431395898.db2.gz	CCZJZSVKWVISRI-KRWDZBQOSA-N	-1	1	315.442	3.307	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCCC[C@H]1c1cn[nH]c1	ZINC000094148961	431919658	/nfs/dbraw/zinc/91/96/58/431919658.db2.gz	KXQRLQQUXNXPIU-ZDUSSCGKSA-N	-1	1	305.765	3.136	10	0		DGAEMM
CN(CCc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1[O-]	ZINC000055368680	431980106	/nfs/dbraw/zinc/98/01/06/431980106.db2.gz	SJLHAXRZAMYRLG-UHFFFAOYSA-N	-1	1	307.752	3.499	10	0		DGAEMM
COc1ccc(CCNC(=O)c2ccc([O-])cc2F)c(Cl)c1	ZINC000154985733	432532215	/nfs/dbraw/zinc/53/22/15/432532215.db2.gz	GXAFEISDNMZZLA-UHFFFAOYSA-N	-1	1	323.751	3.166	10	0		DGAEMM
CC[C@H](C)NC(=O)[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(C)C	ZINC000195087222	432603035	/nfs/dbraw/zinc/60/30/35/432603035.db2.gz	WYMZOVVQRTVYJB-IINYFYTJSA-N	-1	1	323.462	3.091	10	0		DGAEMM
CC(C)[C@H](C)CNC(=O)c1cc(Br)ccc1[O-]	ZINC000218834627	432660797	/nfs/dbraw/zinc/66/07/97/432660797.db2.gz	PJMFOHRIKIMNFV-SECBINFHSA-N	-1	1	300.196	3.177	10	0		DGAEMM
Cc1cccc2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cn21	ZINC000188138528	432707073	/nfs/dbraw/zinc/70/70/73/432707073.db2.gz	POLNDQADQNSPLB-UHFFFAOYSA-N	-1	1	312.398	3.308	10	0		DGAEMM
CCCc1cc(=O)[n-]c(SCc2cnc3ccccn23)n1	ZINC000177898127	432670827	/nfs/dbraw/zinc/67/08/27/432670827.db2.gz	VJLHQAXAVRJFSE-UHFFFAOYSA-N	-1	1	300.387	3.075	10	0		DGAEMM
O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@]2(CC=CCC2)C1	ZINC000333019943	433029452	/nfs/dbraw/zinc/02/94/52/433029452.db2.gz	ILCJSAQVNSGIBN-QGZVFWFLSA-N	-1	1	314.364	3.060	10	0		DGAEMM
COc1ccc(C(=O)Nc2cc(C)cc(OC)c2C)c([O-])c1	ZINC000436718806	434082681	/nfs/dbraw/zinc/08/26/81/434082681.db2.gz	MXQABSMAZYBDFQ-UHFFFAOYSA-N	-1	1	301.342	3.279	10	0		DGAEMM
O=C(NCCOCc1ccc(Cl)cc1)c1cc(F)ccc1[O-]	ZINC000436743318	434092673	/nfs/dbraw/zinc/09/26/73/434092673.db2.gz	ZKPXVCUJGCFIIN-UHFFFAOYSA-N	-1	1	323.751	3.131	10	0		DGAEMM
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cc(Cl)ccc1[O-]	ZINC000436825704	434126342	/nfs/dbraw/zinc/12/63/42/434126342.db2.gz	HPTWNOBCTWSBTM-OIBJUYFYSA-N	-1	1	307.699	3.459	10	0		DGAEMM
COC(=O)Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1[O-]	ZINC000575380378	435031598	/nfs/dbraw/zinc/03/15/98/435031598.db2.gz	CYPKLKDBXUAWKD-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
CC(=O)c1cc([O-])c(C(F)F)c(I)c1	ZINC000575670277	435041798	/nfs/dbraw/zinc/04/17/98/435041798.db2.gz	ZAELAZXWFOPRJZ-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
Cc1cnc(C(=O)N2CCC[C@@]2(C)Cc2ccccc2)c([O-])c1	ZINC000547979697	314410544	/nfs/dbraw/zinc/41/05/44/314410544.db2.gz	XOBRQIFZEOIRJZ-IBGZPJMESA-N	-1	1	310.397	3.333	10	0		DGAEMM
O=C([O-])c1cccc2nc(NC(=O)OCc3ccccc3)[nH]c21	ZINC000685950431	549810563	/nfs/dbraw/zinc/81/05/63/549810563.db2.gz	PTSCGDIPWQVPKZ-UHFFFAOYSA-N	-1	1	311.297	3.010	10	0		DGAEMM
CCCCCCOCC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1	ZINC000730830286	574536944	/nfs/dbraw/zinc/53/69/44/574536944.db2.gz	QRTJTFSDKIAKMC-UHFFFAOYSA-N	-1	1	317.389	3.318	10	0		DGAEMM
C[C@H]([NH2+]Cc1cscn1)c1ccc(Br)cc1O	ZINC000185246694	660211536	/nfs/dbraw/zinc/21/15/36/660211536.db2.gz	VEVJWNJUPGSPKU-QMMMGPOBSA-N	-1	1	313.220	3.462	10	0		DGAEMM
C[C@@H](C(=O)[O-])N(Cc1ccc(F)cc1Br)C1CC1	ZINC000263374436	655863310	/nfs/dbraw/zinc/86/33/10/655863310.db2.gz	ZXARTPISQXYTKT-QMMMGPOBSA-N	-1	1	316.170	3.026	10	0		DGAEMM
COCc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1	ZINC000194245218	656199293	/nfs/dbraw/zinc/19/92/93/656199293.db2.gz	BCZZERIRNFEBAF-UHFFFAOYSA-N	-1	1	311.428	3.312	10	0		DGAEMM
O=C1COc2cc(NCc3c([O-])ccc(Cl)c3F)ccc2N1	ZINC000190817896	662045367	/nfs/dbraw/zinc/04/53/67/662045367.db2.gz	NSNOLUDIZZRJLF-UHFFFAOYSA-N	-1	1	322.723	3.128	10	0		DGAEMM
N#Cc1ccsc1[N-]C(=O)c1nc(Br)cs1	ZINC000191841138	662082164	/nfs/dbraw/zinc/08/21/64/662082164.db2.gz	NBPWJNRAWKFBLY-UHFFFAOYSA-N	-1	1	314.189	3.091	10	0		DGAEMM
CC(=Cc1ccc(F)cc1)C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000176125141	1203925221	/nfs/dbraw/zinc/92/52/21/1203925221.db2.gz	RMQSVDMUAKNIEA-VOTSOKGWSA-N	-1	1	314.242	3.005	10	0		DGAEMM
O=C([O-])CN(Cc1ccccc1)Cc1cc(F)c(F)cc1F	ZINC000692424441	976463177	/nfs/dbraw/zinc/46/31/77/976463177.db2.gz	AKTUKSBELLGAMK-UHFFFAOYSA-N	-1	1	309.287	3.191	10	0		DGAEMM
CCCCCOc1ccc(Nc2nc(COC)cc(=O)[n-]2)cc1	ZINC000070451380	190894870	/nfs/dbraw/zinc/89/48/70/190894870.db2.gz	NTRFUJQGUIFDAY-UHFFFAOYSA-N	-1	1	317.389	3.229	10	0		DGAEMM
CC[C@H](C)CN(CC)C(=O)c1cnc2nc(C)ccc2c1[O-]	ZINC000131162115	432032755	/nfs/dbraw/zinc/03/27/55/432032755.db2.gz	PFPLTEGWJOMZHI-NSHDSACASA-N	-1	1	301.390	3.152	10	0		DGAEMM
CC[C@H](C)CN(CC)C(=O)c1c[n-]c2nc(C)ccc2c1=O	ZINC000131162115	432032758	/nfs/dbraw/zinc/03/27/58/432032758.db2.gz	PFPLTEGWJOMZHI-NSHDSACASA-N	-1	1	301.390	3.152	10	0		DGAEMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CCCN1c1nccs1	ZINC000163695351	432039082	/nfs/dbraw/zinc/03/90/82/432039082.db2.gz	XFUMAEYWGZAWSR-LLVKDONJSA-N	-1	1	323.805	3.110	10	0		DGAEMM
C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl	ZINC000435429580	238304405	/nfs/dbraw/zinc/30/44/05/238304405.db2.gz	XYYIBPHGMRFADC-RQJHMYQMSA-N	-1	1	312.193	3.067	10	0		DGAEMM
O=C1c2cccc3c([O-])ccc(c32)C(=O)N1CCc1ccccc1	ZINC000006889744	181402057	/nfs/dbraw/zinc/40/20/57/181402057.db2.gz	SBQNOTZWUYNTLM-UHFFFAOYSA-N	-1	1	317.344	3.384	10	0		DGAEMM
O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1sccc1Cl	ZINC000451325590	241084072	/nfs/dbraw/zinc/08/40/72/241084072.db2.gz	BFRQZLOZGSMMJM-SSDOTTSWSA-N	-1	1	315.794	3.258	10	0		DGAEMM
C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl	ZINC000473902237	244353611	/nfs/dbraw/zinc/35/36/11/244353611.db2.gz	NWHZUCQRQKGVBV-BQBZGAKWSA-N	-1	1	312.193	3.067	10	0		DGAEMM
Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(F)c(C)c3)ccc12	ZINC000093909447	193327031	/nfs/dbraw/zinc/32/70/31/193327031.db2.gz	RJYSBUCJSZSGSY-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
Cc1cc(C(=O)Nc2nc(-c3ccco3)n[nH]2)c(Cl)cc1F	ZINC000126983490	284323354	/nfs/dbraw/zinc/32/33/54/284323354.db2.gz	XHROMZYYMXDMSV-UHFFFAOYSA-N	-1	1	320.711	3.418	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@@H](C(F)(F)F)C1	ZINC000105731001	296209629	/nfs/dbraw/zinc/20/96/29/296209629.db2.gz	VPLNWHVHXWUZQZ-MRVPVSSYSA-N	-1	1	307.699	3.460	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)s1	ZINC000048652752	183674238	/nfs/dbraw/zinc/67/42/38/183674238.db2.gz	IMFZIXZDURMPCD-UHFFFAOYSA-N	-1	1	303.355	3.390	10	0		DGAEMM
Cc1nc(Cl)sc1S(=O)(=O)[N-]CC1CCC(C)CC1	ZINC000063146133	184273724	/nfs/dbraw/zinc/27/37/24/184273724.db2.gz	DUNXDVVWSUWYGK-UHFFFAOYSA-N	-1	1	322.883	3.210	10	0		DGAEMM
COc1cccc(F)c1[C@H](C)NC(=O)c1ccc([O-])cc1F	ZINC000181239431	533572610	/nfs/dbraw/zinc/57/26/10/533572610.db2.gz	LLUQZPMMRIMUQR-VIFPVBQESA-N	-1	1	307.296	3.170	10	0		DGAEMM
Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000034940553	400386239	/nfs/dbraw/zinc/38/62/39/400386239.db2.gz	PFZCJBXGGOWKSC-UHFFFAOYSA-N	-1	1	318.732	3.001	10	0		DGAEMM
COc1ccc2c(c1)OCc1c(=O)c3cc(OC)ccc3[n-]c1-2	ZINC000090548465	401268771	/nfs/dbraw/zinc/26/87/71/401268771.db2.gz	DDZDVMGJAZGNDE-UHFFFAOYSA-N	-1	1	309.321	3.105	10	0		DGAEMM
COc1ccccc1OCCSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188148798	263688484	/nfs/dbraw/zinc/68/84/84/263688484.db2.gz	FGSZEASGTZAOSX-UHFFFAOYSA-N	-1	1	318.398	3.239	10	0		DGAEMM
CC(C)(C)n1cnc(NC(=O)Nc2ccc([O-])c(Cl)c2)n1	ZINC000487246408	425111242	/nfs/dbraw/zinc/11/12/42/425111242.db2.gz	YGBNHPSLGJBRFQ-UHFFFAOYSA-N	-1	1	309.757	3.036	10	0		DGAEMM
CC(=O)c1[n-]c(=N[C@@H]2CCOc3c(C)cccc32)sc1C	ZINC000450476908	273495819	/nfs/dbraw/zinc/49/58/19/273495819.db2.gz	SOUZMTDDZWHWHQ-CYBMUJFWSA-N	-1	1	302.399	3.320	10	0		DGAEMM
CCN(CCC(=O)[O-])Cc1cc2ccc(C)cc2nc1Cl	ZINC000038025181	279174721	/nfs/dbraw/zinc/17/47/21/279174721.db2.gz	KXHOVHSKDZLIRH-UHFFFAOYSA-N	-1	1	306.793	3.493	10	0		DGAEMM
CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCc2ccccc21	ZINC000074273514	431409127	/nfs/dbraw/zinc/40/91/27/431409127.db2.gz	FUVWFSKZLPMQAJ-MRXNPFEDSA-N	-1	1	319.364	3.095	10	0		DGAEMM
COc1c(C)cc(CN(C)C(=O)c2cc(F)ccc2[O-])cc1C	ZINC000081958501	431802133	/nfs/dbraw/zinc/80/21/33/431802133.db2.gz	YTQZRUDDQRGLKM-UHFFFAOYSA-N	-1	1	317.360	3.429	10	0		DGAEMM
O=C(NCCC1=CCCC1)c1ccc(Br)c([O-])c1	ZINC000121419513	431784858	/nfs/dbraw/zinc/78/48/58/431784858.db2.gz	CMIAXGZQENISQE-UHFFFAOYSA-N	-1	1	310.191	3.385	10	0		DGAEMM
C[C@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2O)CC[N@H+]1C	ZINC000124513795	431896256	/nfs/dbraw/zinc/89/62/56/431896256.db2.gz	PPYJBEFAZNPQSC-XJKSGUPXSA-N	-1	1	312.413	3.100	10	0		DGAEMM
CCO[C@H]1C[C@H](N(C)C(=O)c2cc(F)ccc2[O-])C12CCCC2	ZINC000091732911	431904838	/nfs/dbraw/zinc/90/48/38/431904838.db2.gz	IHSIFYHRYFRSFV-HOTGVXAUSA-N	-1	1	321.392	3.341	10	0		DGAEMM
CN(CCc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1[O-]	ZINC000097666509	431973173	/nfs/dbraw/zinc/97/31/73/431973173.db2.gz	XLHLFHCEEHHJRM-UHFFFAOYSA-N	-1	1	307.752	3.499	10	0		DGAEMM
CC(C)[C@@H]1CCN(C(=O)c2ccc(Br)c([O-])c2)C1	ZINC000231350399	432731264	/nfs/dbraw/zinc/73/12/64/432731264.db2.gz	ARQMVJWQUDFGQO-LLVKDONJSA-N	-1	1	312.207	3.273	10	0		DGAEMM
COc1cc(C)cc([N-]S(=O)(=O)c2ccccc2C)c1C	ZINC000447265412	433175687	/nfs/dbraw/zinc/17/56/87/433175687.db2.gz	GTGRVJBZRGEUSD-UHFFFAOYSA-N	-1	1	305.399	3.421	10	0		DGAEMM
O=C(NCc1ccc2cc[nH]c2n1)c1cc2ccccc2cc1[O-]	ZINC000436597303	434029550	/nfs/dbraw/zinc/02/95/50/434029550.db2.gz	UTRRBFXMYXGPLJ-UHFFFAOYSA-N	-1	1	317.348	3.352	10	0		DGAEMM
O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1ncccc1[O-]	ZINC000437438021	434261777	/nfs/dbraw/zinc/26/17/77/434261777.db2.gz	YFBAGZJSAWIJBD-AULYBMBSSA-N	-1	1	302.761	3.117	10	0		DGAEMM
[O-]c1cc(I)cc(OC(F)(F)F)c1F	ZINC000575707277	435048788	/nfs/dbraw/zinc/04/87/88/435048788.db2.gz	SUYYTJWLJYWCJY-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
Nc1cnc(-c2nc3ccc(-c4ccccc4)cc3c(=O)[n-]2)cn1	ZINC000554400603	314679527	/nfs/dbraw/zinc/67/95/27/314679527.db2.gz	BSCZIRIFYLFKIZ-UHFFFAOYSA-N	-1	1	315.336	3.042	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2cccc3nn[nH]c32)[C@H]1c1cccc(F)c1	ZINC000180111195	323221404	/nfs/dbraw/zinc/22/14/04/323221404.db2.gz	ZKAFJOSIPYLTNP-APPDUMDISA-N	-1	1	324.359	3.320	10	0		DGAEMM
c1ccc2c(c1)CCC[C@@H]2c1ccc(OCc2nn[n-]n2)cc1	ZINC000584625380	337375424	/nfs/dbraw/zinc/37/54/24/337375424.db2.gz	LOQQOIVQZLWHFE-QGZVFWFLSA-N	-1	1	306.369	3.247	10	0		DGAEMM
O=C(N[C@@H]1CCCC1(F)F)c1ccc(Br)c([O-])c1	ZINC000398346916	575962498	/nfs/dbraw/zinc/96/24/98/575962498.db2.gz	UZKHVCHWRBVXKU-SNVBAGLBSA-N	-1	1	320.133	3.072	10	0		DGAEMM
COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(C)=O)cc1	ZINC000129332034	625592178	/nfs/dbraw/zinc/59/21/78/625592178.db2.gz	MSDQVJWXBXYTJH-UHFFFAOYSA-N	-1	1	319.382	3.007	10	0		DGAEMM
CC[C@@H](NCc1cc(=O)oc2cc([O-])ccc12)c1nccs1	ZINC000185100296	660201868	/nfs/dbraw/zinc/20/18/68/660201868.db2.gz	MDDHVYOMMRKEAH-CYBMUJFWSA-N	-1	1	316.382	3.196	10	0		DGAEMM
O=C1N[C@@H](c2cc(F)c([O-])c(F)c2)Nc2cc(Cl)ccc21	ZINC000175926826	655635640	/nfs/dbraw/zinc/63/56/40/655635640.db2.gz	QGUCPZPRHMZJMV-ZDUSSCGKSA-N	-1	1	310.687	3.178	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)s1	ZINC000077688129	655706189	/nfs/dbraw/zinc/70/61/89/655706189.db2.gz	MLCDJBDYOJPNMV-UHFFFAOYSA-N	-1	1	302.808	3.160	10	0		DGAEMM
Cc1cc(C)nc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1	ZINC000299737048	656222338	/nfs/dbraw/zinc/22/23/38/656222338.db2.gz	MBWFSIDYOSDRMW-FPLPWBNLSA-N	-1	1	306.362	3.250	10	0		DGAEMM
C[C@@H]1CN(Cn2c(CCC3CCCC3)n[n-]c2=S)C[C@@H](C)O1	ZINC000069370899	659992251	/nfs/dbraw/zinc/99/22/51/659992251.db2.gz	JXONJQYLIMKXGC-CHWSQXEVSA-N	-1	1	324.494	3.130	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]1	ZINC000195086642	662177723	/nfs/dbraw/zinc/17/77/23/662177723.db2.gz	IRGNYJDZSVEBQF-UHFFFAOYSA-N	-1	1	321.333	3.399	10	0		DGAEMM
C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CCCC1	ZINC000226762416	1176564458	/nfs/dbraw/zinc/56/44/58/1176564458.db2.gz	BSAOUYRPMXGQPD-SECBINFHSA-N	-1	1	312.207	3.463	10	0		DGAEMM
CSc1ccc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc1	ZINC000131376488	432036986	/nfs/dbraw/zinc/03/69/86/432036986.db2.gz	GQWIAZHHZOAAQJ-UHFFFAOYSA-N	-1	1	313.375	3.054	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(SCc2ccccc2F)[n-]1	ZINC000005155172	181210843	/nfs/dbraw/zinc/21/08/43/181210843.db2.gz	ZFNRXGFMDJKAJK-UHFFFAOYSA-N	-1	1	304.268	3.220	10	0		DGAEMM
C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cc(F)ccc1[O-]	ZINC000179527876	199050365	/nfs/dbraw/zinc/05/03/65/199050365.db2.gz	PYCUKBAALRPWOP-YVEFUNNKSA-N	-1	1	315.344	3.134	10	0		DGAEMM
C[C@H](Sc1nc(C2CC2)cc(=O)[n-]1)C(=O)Nc1ccccc1	ZINC000188132320	200198357	/nfs/dbraw/zinc/19/83/57/200198357.db2.gz	UPQYMUCHZLRUOG-JTQLQIEISA-N	-1	1	315.398	3.179	10	0		DGAEMM
CCCc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)[nH]n1	ZINC000135043278	432096167	/nfs/dbraw/zinc/09/61/67/432096167.db2.gz	ZRSGXLMXGVBDQR-UHFFFAOYSA-N	-1	1	307.419	3.088	10	0		DGAEMM
CC(C)[C@H](C)CNC(=O)c1ccc(Br)cc1[O-]	ZINC000081066871	283909002	/nfs/dbraw/zinc/90/90/02/283909002.db2.gz	FXHWMZUXQAZQJE-SECBINFHSA-N	-1	1	300.196	3.177	10	0		DGAEMM
O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2nccs2)C1	ZINC000181221125	432119215	/nfs/dbraw/zinc/11/92/15/432119215.db2.gz	VUFRYVAPZQERCJ-SNVBAGLBSA-N	-1	1	306.362	3.008	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccc([O-])c1Cl	ZINC000262295995	304150263	/nfs/dbraw/zinc/15/02/63/304150263.db2.gz	WTZKJUCOXIEWFI-RTXFEEFZSA-N	-1	1	309.793	3.263	10	0		DGAEMM
O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc([O-])c1Cl	ZINC000262295995	304150264	/nfs/dbraw/zinc/15/02/64/304150264.db2.gz	WTZKJUCOXIEWFI-RTXFEEFZSA-N	-1	1	309.793	3.263	10	0		DGAEMM
CSCCCCNC(=O)c1cc(Br)ccc1[O-]	ZINC000126261251	284299120	/nfs/dbraw/zinc/29/91/20/284299120.db2.gz	DYKYCEOCADNTKT-UHFFFAOYSA-N	-1	1	318.236	3.028	10	0		DGAEMM
Cc1oc(-c2ccc(C(=O)[O-])cc2)nc1CN1CCCCC1	ZINC000020864007	182250323	/nfs/dbraw/zinc/25/03/23/182250323.db2.gz	KWVIBMTZHDGXJA-UHFFFAOYSA-N	-1	1	300.358	3.334	10	0		DGAEMM
CCOc1ncnc([N-]c2nc3ccc(C)cc3s2)c1N	ZINC000040783586	183133495	/nfs/dbraw/zinc/13/34/95/183133495.db2.gz	XCCTWNFJORWQNA-UHFFFAOYSA-N	-1	1	301.375	3.119	10	0		DGAEMM
CC(C)Oc1ncnc([N-]c2nc3ccccc3s2)c1N	ZINC000040761113	183130399	/nfs/dbraw/zinc/13/03/99/183130399.db2.gz	LWQAWLWSEIAAEZ-UHFFFAOYSA-N	-1	1	301.375	3.199	10	0		DGAEMM
CC(=O)c1ccccc1NC(=O)c1c[n-]c2c(F)cccc2c1=O	ZINC000041055735	183160311	/nfs/dbraw/zinc/16/03/11/183160311.db2.gz	ULFWIHYPVDJTSA-UHFFFAOYSA-N	-1	1	324.311	3.122	10	0		DGAEMM
Cc1cc(=O)[n-]c(SCc2sccc2Br)n1	ZINC000043523269	183370409	/nfs/dbraw/zinc/37/04/09/183370409.db2.gz	XMWIXRXQIJXFPK-UHFFFAOYSA-N	-1	1	317.233	3.195	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCC[C@H](C(F)(F)F)C1	ZINC000105730996	194122944	/nfs/dbraw/zinc/12/29/44/194122944.db2.gz	VPLNWHVHXWUZQZ-QMMMGPOBSA-N	-1	1	307.699	3.460	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H]1c1ccccc1	ZINC000074273371	296302789	/nfs/dbraw/zinc/30/27/89/296302789.db2.gz	XLEMIBAIWGGCED-INIZCTEOSA-N	-1	1	319.364	3.313	10	0		DGAEMM
CSCCCCNC(=O)c1ccc(Br)c([O-])c1	ZINC000161921278	533557452	/nfs/dbraw/zinc/55/74/52/533557452.db2.gz	FZEUTXKZRMELSF-UHFFFAOYSA-N	-1	1	318.236	3.028	10	0		DGAEMM
COc1cccc(F)c1[C@@H](C)NC(=O)c1ccc([O-])cc1F	ZINC000181239449	533569112	/nfs/dbraw/zinc/56/91/12/533569112.db2.gz	LLUQZPMMRIMUQR-SECBINFHSA-N	-1	1	307.296	3.170	10	0		DGAEMM
CC(=O)c1cc(Cl)c(C)c(I)c1[O-]	ZINC000135649179	400588709	/nfs/dbraw/zinc/58/87/09/400588709.db2.gz	RCEYBRZCZBLABQ-UHFFFAOYSA-N	-1	1	310.518	3.161	10	0		DGAEMM
Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1cc(F)ccc1[O-]	ZINC000137319583	432175958	/nfs/dbraw/zinc/17/59/58/432175958.db2.gz	NGFRUZRLWSKXHF-SNVBAGLBSA-N	-1	1	319.380	3.282	10	0		DGAEMM
CC[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)c1ccc(C)cc1	ZINC000079095090	431717746	/nfs/dbraw/zinc/71/77/46/431717746.db2.gz	YOOCNBBYPKHQKX-OAHLLOKOSA-N	-1	1	321.380	3.113	10	0		DGAEMM
CC(C)[C@@H](C)CNC(=O)c1ccc(Br)cc1[O-]	ZINC000083906719	431811166	/nfs/dbraw/zinc/81/11/66/431811166.db2.gz	FXHWMZUXQAZQJE-VIFPVBQESA-N	-1	1	300.196	3.177	10	0		DGAEMM
CC(C)(C)c1nc(CS(=O)(=O)c2ccc([O-])cc2)cs1	ZINC000049488960	431941068	/nfs/dbraw/zinc/94/10/68/431941068.db2.gz	RNIRWMNLKDZDAG-UHFFFAOYSA-N	-1	1	311.428	3.120	10	0		DGAEMM
CCC[C@@H](C(=O)Nc1cc(Cl)c([O-])c(Cl)c1)N(C)C	ZINC000154666062	432512308	/nfs/dbraw/zinc/51/23/08/432512308.db2.gz	OOKGKJDQSFKYDH-NSHDSACASA-N	-1	1	305.205	3.368	10	0		DGAEMM
COc1ccc([C@@H](C)NC(=O)c2ccc([O-])cc2F)cc1OC	ZINC000154630216	432511465	/nfs/dbraw/zinc/51/14/65/432511465.db2.gz	KKQALULXUKOZJS-SNVBAGLBSA-N	-1	1	319.332	3.040	10	0		DGAEMM
Cc1cc(Br)c(CN(C)[C@H](C)C(=O)[O-])cc1Cl	ZINC000263413445	432541276	/nfs/dbraw/zinc/54/12/76/432541276.db2.gz	MEWXFORQOJTLKW-MRVPVSSYSA-N	-1	1	320.614	3.316	10	0		DGAEMM
CC(C)C[C@H](C)N(C)C(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000195082116	432600153	/nfs/dbraw/zinc/60/01/53/432600153.db2.gz	XUNRDBZNZKTABL-NSHDSACASA-N	-1	1	323.462	3.045	10	0		DGAEMM
Cc1nc2c(Cl)cccc2c(N2CC[C@H](C(=O)[O-])C2)c1C	ZINC000263491783	293399299	/nfs/dbraw/zinc/39/92/99/293399299.db2.gz	ISZYGXLNERILJC-NSHDSACASA-N	-1	1	304.777	3.416	10	0		DGAEMM
Cc1nc(SCc2nc(C3CCCC3)no2)[n-]c(=O)c1C	ZINC000329417873	434408509	/nfs/dbraw/zinc/40/85/09/434408509.db2.gz	DNRMCKWGYXHWFZ-UHFFFAOYSA-N	-1	1	306.391	3.132	10	0		DGAEMM
CC(=O)CCCCCSc1nc(C(F)(F)F)cc(=O)[n-]1	ZINC000450834432	434434438	/nfs/dbraw/zinc/43/44/38/434434438.db2.gz	CRNHXZPCGZXRLY-UHFFFAOYSA-N	-1	1	308.325	3.443	10	0		DGAEMM
CCOC(=O)c1cc([O-])c(Br)cc1C(F)(F)F	ZINC000575699655	435048249	/nfs/dbraw/zinc/04/82/49/435048249.db2.gz	LOBQRFJASYFNCU-UHFFFAOYSA-N	-1	1	313.069	3.350	10	0		DGAEMM
O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1cc2ccccc2o1	ZINC000532609557	435181192	/nfs/dbraw/zinc/18/11/92/435181192.db2.gz	TYJPHSAAADXNJW-NSHDSACASA-N	-1	1	315.341	3.289	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@H](c3cccc(Cl)c3)C2)c([O-])c1	ZINC000496788500	435254894	/nfs/dbraw/zinc/25/48/94/435254894.db2.gz	TZOYOGXMQBIKCQ-ZDUSSCGKSA-N	-1	1	316.788	3.379	10	0		DGAEMM
O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1cc2ccccc2o1	ZINC000532609556	313563807	/nfs/dbraw/zinc/56/38/07/313563807.db2.gz	TYJPHSAAADXNJW-LLVKDONJSA-N	-1	1	315.341	3.289	10	0		DGAEMM
COc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1C	ZINC000447262653	500838887	/nfs/dbraw/zinc/83/88/87/500838887.db2.gz	FNQKQGSYFRFEDV-UHFFFAOYSA-N	-1	1	309.362	3.252	10	0		DGAEMM
Cc1ccc2c([O-])c(C(=O)N3CCCC(C)(C)CC3)cnc2n1	ZINC000173631502	534396271	/nfs/dbraw/zinc/39/62/71/534396271.db2.gz	KCGNMMDKLFQWIC-UHFFFAOYSA-N	-1	1	313.401	3.296	10	0		DGAEMM
Cc1ccc2c(n1)[n-]cc(C(=O)N1CCCC(C)(C)CC1)c2=O	ZINC000173631502	534396277	/nfs/dbraw/zinc/39/62/77/534396277.db2.gz	KCGNMMDKLFQWIC-UHFFFAOYSA-N	-1	1	313.401	3.296	10	0		DGAEMM
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc([O-])cc1F	ZINC000181090836	527036328	/nfs/dbraw/zinc/03/63/28/527036328.db2.gz	UKPRTSZSDBGJHH-IUCAKERBSA-N	-1	1	305.271	3.382	10	0		DGAEMM
CC(C)c1ccc(SCC(=O)N[C@@H](C)c2cc(=O)[nH][n-]2)cc1	ZINC000898868357	619296888	/nfs/dbraw/zinc/29/68/88/619296888.db2.gz	FZDNPNCTKSWTCE-NSHDSACASA-N	-1	1	319.430	3.208	10	0		DGAEMM
C[C@@]1(C(F)(F)F)CN(Cc2cccc([O-])c2Cl)CCO1	ZINC000712804066	661189806	/nfs/dbraw/zinc/18/98/06/661189806.db2.gz	VTBFQCUTGOQLEV-LBPRGKRZSA-N	-1	1	309.715	3.199	10	0		DGAEMM
O=C([N-]c1c(F)cccc1F)c1nc(Br)cs1	ZINC000119945419	661242830	/nfs/dbraw/zinc/24/28/30/661242830.db2.gz	HYRRPDFBJDJVFP-UHFFFAOYSA-N	-1	1	319.130	3.436	10	0		DGAEMM
CC1(NC(=O)c2ccc(Br)c([O-])c2)CC(F)(F)C1	ZINC000720942696	658237954	/nfs/dbraw/zinc/23/79/54/658237954.db2.gz	XZOWMCXFFPLCKV-UHFFFAOYSA-N	-1	1	320.133	3.072	10	0		DGAEMM
O=C(Nc1cccc(F)c1[O-])c1ncsc1Br	ZINC000707973693	1176513334	/nfs/dbraw/zinc/51/33/34/1176513334.db2.gz	YGOSDYFSTILMTH-UHFFFAOYSA-N	-1	1	317.139	3.003	10	0		DGAEMM
O=C(NCC1=CCCCC1)c1ccc(Br)cc1[O-]	ZINC000380160516	1176838405	/nfs/dbraw/zinc/83/84/05/1176838405.db2.gz	KTYGCYHKYWWBAU-UHFFFAOYSA-N	-1	1	310.191	3.385	10	0		DGAEMM
CC(C)(NC(=O)c1cc(Br)ccc1[O-])C1CCC1	ZINC000398193087	1177016769	/nfs/dbraw/zinc/01/67/69/1177016769.db2.gz	SDFSUKPWNFQWIT-UHFFFAOYSA-N	-1	1	312.207	3.463	10	0		DGAEMM
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188609649	1094934925	/nfs/dbraw/zinc/93/49/25/1094934925.db2.gz	DIWWYWFYPPBYCJ-NSHDSACASA-N	-1	1	300.383	3.029	10	0		DGAEMM
CCCCN(CCCC)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000079095585	185157597	/nfs/dbraw/zinc/15/75/97/185157597.db2.gz	RENXIJXMPQYNNE-UHFFFAOYSA-N	-1	1	301.390	3.378	10	0		DGAEMM
CC(Cl)(Cl)C(=O)[N-][C@@H](Cc1ccccc1)C(F)(F)F	ZINC000181985089	199371025	/nfs/dbraw/zinc/37/10/25/199371025.db2.gz	ZCGAWRIXKKJKEO-VIFPVBQESA-N	-1	1	314.134	3.470	10	0		DGAEMM
O=S(=O)([N-]CCc1ccccc1)c1c(F)cccc1Cl	ZINC000130876449	432030506	/nfs/dbraw/zinc/03/05/06/432030506.db2.gz	JKXIKTHDTODCOI-UHFFFAOYSA-N	-1	1	313.781	3.000	10	0		DGAEMM
COc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)c(C)c1	ZINC000170708459	432078136	/nfs/dbraw/zinc/07/81/36/432078136.db2.gz	WCSGYWZXNFTLNH-UHFFFAOYSA-N	-1	1	311.428	3.483	10	0		DGAEMM
O=S(=O)([N-]c1ccccc1F)c1ccc(C(F)(F)F)nc1	ZINC000181197048	432117076	/nfs/dbraw/zinc/11/70/76/432117076.db2.gz	FGWMMYUJYNHKSV-UHFFFAOYSA-N	-1	1	320.267	3.040	10	0		DGAEMM
Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1	ZINC000459361603	243349260	/nfs/dbraw/zinc/34/92/60/243349260.db2.gz	PKUWTFQZVWDEQR-INIZCTEOSA-N	-1	1	312.417	3.125	10	0		DGAEMM
COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1OC	ZINC000120024598	284159038	/nfs/dbraw/zinc/15/90/38/284159038.db2.gz	QYDIXBPYNJKURQ-JTQLQIEISA-N	-1	1	319.332	3.040	10	0		DGAEMM
CCc1cccc(CC)c1NC(=O)CSCc1cc(=O)[nH][n-]1	ZINC000040839008	183141301	/nfs/dbraw/zinc/14/13/01/183141301.db2.gz	GSUQPMBDNISSFH-UHFFFAOYSA-N	-1	1	319.430	3.112	10	0		DGAEMM
Cc1cc(=O)[n-]c(SCc2ccc(Br)s2)n1	ZINC000043682082	183380148	/nfs/dbraw/zinc/38/01/48/183380148.db2.gz	IKIGIWNQCQVKOB-UHFFFAOYSA-N	-1	1	317.233	3.195	10	0		DGAEMM
Cc1cnn([C@H]2CCCN(C(=O)c3cc(Cl)ccc3[O-])C2)c1	ZINC000105885790	194156866	/nfs/dbraw/zinc/15/68/66/194156866.db2.gz	KRWDNCFZSGZBMK-ZDUSSCGKSA-N	-1	1	319.792	3.028	10	0		DGAEMM
Cc1c(Br)c([O-])ccc1I	ZINC000167506287	400757021	/nfs/dbraw/zinc/75/70/21/400757021.db2.gz	MYVCJMFAKFWGTJ-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
CCC(F)(F)C(C)(C)CN=c1nc(C(F)(F)F)[n-]s1	ZINC000624592515	401673795	/nfs/dbraw/zinc/67/37/95/401673795.db2.gz	PSNIDHLQKAIDNG-UHFFFAOYSA-N	-1	1	303.300	3.462	10	0		DGAEMM
C[C@]1(C[N-]S(=O)(=O)c2c(F)cccc2Cl)CCCS1	ZINC000133052685	196307831	/nfs/dbraw/zinc/30/78/31/196307831.db2.gz	AVAIXMIHQIFOIH-GFCCVEGCSA-N	-1	1	323.842	3.043	10	0		DGAEMM
CCc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1F	ZINC000151458515	432248661	/nfs/dbraw/zinc/24/86/61/432248661.db2.gz	WJFJNISGPQCIJS-UHFFFAOYSA-N	-1	1	321.373	3.392	10	0		DGAEMM
O=S(=O)([N-]C[C@@H]1C[C@@H]1c1ccccc1)c1cccc(F)c1F	ZINC000111358125	431215723	/nfs/dbraw/zinc/21/57/23/431215723.db2.gz	GYOQTJKFOUOBPF-QWHCGFSZSA-N	-1	1	323.364	3.047	10	0		DGAEMM
O=C(NCCCCC1CCCC1)c1nc2ccccc2c(=O)[n-]1	ZINC000075538511	431483513	/nfs/dbraw/zinc/48/35/13/431483513.db2.gz	OOIQLZOLTPKBEE-UHFFFAOYSA-N	-1	1	313.401	3.013	10	0		DGAEMM
[O-]c1cc(O)c(-c2noc3cc(O)ccc32)cc1Br	ZINC000013583554	431561175	/nfs/dbraw/zinc/56/11/75/431561175.db2.gz	LZACPHWPRDKUPK-UHFFFAOYSA-N	-1	1	322.114	3.374	10	0	in-vivo	DGAEMM
O=C([O-])c1cccc(-c2c(O)[nH]c3cc(Cl)ccc3c2=O)c1	ZINC000013775732	431569015	/nfs/dbraw/zinc/56/90/15/431569015.db2.gz	NAPWQZVKCGFTMY-UHFFFAOYSA-N	-1	1	315.712	3.252	10	0		DGAEMM
CCc1cccc(S(=O)(=O)[N-]c2ccc3oc(C)nc3c2)c1	ZINC000080937855	431778470	/nfs/dbraw/zinc/77/84/70/431778470.db2.gz	NVDOABQULYGANM-UHFFFAOYSA-N	-1	1	316.382	3.499	10	0		DGAEMM
C[C@H]1CC[C@H](C)N(C(=O)c2ccc(Br)cc2[O-])C1	ZINC000088707544	431858691	/nfs/dbraw/zinc/85/86/91/431858691.db2.gz	IXNLIHAGGUGRLA-UWVGGRQHSA-N	-1	1	312.207	3.415	10	0		DGAEMM
O=C(c1c([O-])c(-c2ccccc2)nc2ccccc21)n1ccnc1	ZINC000034852223	431819451	/nfs/dbraw/zinc/81/94/51/431819451.db2.gz	BUGUDQDKDOXDFW-UHFFFAOYSA-N	-1	1	315.332	3.492	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCO[C@H]2CCCC[C@H]21	ZINC000127687897	431978074	/nfs/dbraw/zinc/97/80/74/431978074.db2.gz	TXLJTEMFSGCYBO-AEFFLSMTSA-N	-1	1	311.381	3.329	10	0		DGAEMM
C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)(C)C	ZINC000154700671	432516806	/nfs/dbraw/zinc/51/68/06/432516806.db2.gz	UCTXBCPAPHQNEU-MRVPVSSYSA-N	-1	1	300.196	3.319	10	0		DGAEMM
COC(=O)c1cccc(CSc2nc(C3CC3)cc(=O)[n-]2)c1	ZINC000188147943	432707674	/nfs/dbraw/zinc/70/76/74/432707674.db2.gz	RLGVWPREZWYVRV-UHFFFAOYSA-N	-1	1	316.382	3.139	10	0		DGAEMM
CCc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2Cl)s1	ZINC000234189874	432738597	/nfs/dbraw/zinc/73/85/97/432738597.db2.gz	FLFYQQBNYZPLMR-UHFFFAOYSA-N	-1	1	316.835	3.468	10	0		DGAEMM
COc1cnccc1[C@@H](C)NC(=O)c1ccc2ccccc2c1[O-]	ZINC000189536164	432798060	/nfs/dbraw/zinc/79/80/60/432798060.db2.gz	UJEFTQNJTSVPRK-GFCCVEGCSA-N	-1	1	322.364	3.440	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2ccsc2)C1	ZINC000163397563	432850432	/nfs/dbraw/zinc/85/04/32/432850432.db2.gz	CTDZDQLOPNZLEP-CQSZACIVSA-N	-1	1	323.801	3.321	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)c([O-])c1	ZINC000408223321	292875448	/nfs/dbraw/zinc/87/54/48/292875448.db2.gz	HZCJXGWZGSJTJE-YPMHNXCESA-N	-1	1	300.358	3.302	10	0		DGAEMM
O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)ccc1[O-]	ZINC000436907402	434164475	/nfs/dbraw/zinc/16/44/75/434164475.db2.gz	SMXMNKWGFSOGDZ-UHFFFAOYSA-N	-1	1	306.240	3.259	10	0		DGAEMM
CCc1noc(C)c1CNC(=O)c1ccc2ccccc2c1[O-]	ZINC000436951277	434184208	/nfs/dbraw/zinc/18/42/08/434184208.db2.gz	YKKFBEXFVATIJZ-UHFFFAOYSA-N	-1	1	310.353	3.334	10	0		DGAEMM
O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc([O-])c1	ZINC000171861750	312733154	/nfs/dbraw/zinc/73/31/54/312733154.db2.gz	PACBLKQSXMNFQP-HNNXBMFYSA-N	-1	1	302.761	3.322	10	0		DGAEMM
Cc1ccc([C@H]2CCCCN2Cc2cnc(C(=O)[O-])cn2)cc1	ZINC000530162687	313329294	/nfs/dbraw/zinc/32/92/94/313329294.db2.gz	QYZPDCGXYNVFDP-QGZVFWFLSA-N	-1	1	311.385	3.210	10	0		DGAEMM
Cc1nc(SCc2noc(-c3ccccc3)n2)[n-]c(=O)c1C	ZINC000537413489	313812633	/nfs/dbraw/zinc/81/26/33/313812633.db2.gz	OTWALNDSTOEQPT-UHFFFAOYSA-N	-1	1	314.370	3.141	10	0		DGAEMM
COc1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)on1	ZINC000183317959	323333561	/nfs/dbraw/zinc/33/35/61/323333561.db2.gz	YJFBNQRLBAHZED-UHFFFAOYSA-N	-1	1	319.317	3.198	10	0		DGAEMM
CC[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(C)C	ZINC000228316798	546270249	/nfs/dbraw/zinc/27/02/49/546270249.db2.gz	ONQIJWUTQRVWQW-LLVKDONJSA-N	-1	1	300.196	3.319	10	0		DGAEMM
O=C(NCC1CCCCC1)c1ccc(Br)c([O-])c1	ZINC000228315755	546269918	/nfs/dbraw/zinc/26/99/18/546269918.db2.gz	UGVGOFPNQUWXNC-UHFFFAOYSA-N	-1	1	312.207	3.465	10	0		DGAEMM
CCc1noc(C)c1[N-]C(=O)c1csc(-c2ccccn2)n1	ZINC000121038464	622101773	/nfs/dbraw/zinc/10/17/73/622101773.db2.gz	JQAYRWOWBUSMBB-UHFFFAOYSA-N	-1	1	314.370	3.316	10	0		DGAEMM
Cc1[nH]nc([N-]S(=O)(=O)C=Cc2ccc(Cl)cc2)c1C	ZINC000135040951	626902921	/nfs/dbraw/zinc/90/29/21/626902921.db2.gz	VBMAQGLLTMFREG-BQYQJAHWSA-N	-1	1	311.794	3.093	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CC[C@@H](c2nccs2)C1	ZINC000710495002	660932578	/nfs/dbraw/zinc/93/25/78/660932578.db2.gz	WPPZLOPFZGTIDD-SECBINFHSA-N	-1	1	308.790	3.132	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CC[C@H](c2nccs2)C1	ZINC000710492943	660932790	/nfs/dbraw/zinc/93/27/90/660932790.db2.gz	KDEHKPCXEMNXHD-VIFPVBQESA-N	-1	1	308.790	3.132	10	0		DGAEMM
O=C(C[C@@H]1CCOc2ccccc21)Nc1nc(Cl)ccc1[O-]	ZINC000188341435	656560150	/nfs/dbraw/zinc/56/01/50/656560150.db2.gz	ULBWVMNTSXGQKJ-JTQLQIEISA-N	-1	1	318.760	3.336	10	0		DGAEMM
CC(C)=CCC/C(C)=C\CN1CCc2nc[nH]c2[C@@H]1C(=O)[O-]	ZINC000096837445	657557924	/nfs/dbraw/zinc/55/79/24/657557924.db2.gz	JZEWLDIREWINLK-VXXVJXPCSA-N	-1	1	303.406	3.086	10	0		DGAEMM
O=c1[n-]c(CNc2ccc(F)cc2)nn1C/C=C\c1ccccc1	ZINC000056682351	658979452	/nfs/dbraw/zinc/97/94/52/658979452.db2.gz	FMIZRGMDJUMSLC-DAXSKMNVSA-N	-1	1	324.359	3.036	10	0		DGAEMM
Cc1cncc(NC(=O)c2cc(Br)ccc2[O-])c1	ZINC000227103639	1177040391	/nfs/dbraw/zinc/04/03/91/1177040391.db2.gz	SRNHMXVQFJNPCD-UHFFFAOYSA-N	-1	1	307.147	3.110	10	0		DGAEMM
CC[C@@H](C)[C@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044491004	1194282849	/nfs/dbraw/zinc/28/28/49/1194282849.db2.gz	BEMZDCRNQFFUTM-BDAKNGLRSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CCC[C@@H](CC)NC(=O)c1ccc(Br)cc1[O-]	ZINC000050406271	1194595927	/nfs/dbraw/zinc/59/59/27/1194595927.db2.gz	GRFJWEDJELNCMV-SNVBAGLBSA-N	-1	1	300.196	3.463	10	0		DGAEMM
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(Br)ccc1[O-]	ZINC000403656658	1094160140	/nfs/dbraw/zinc/16/01/40/1094160140.db2.gz	SDVXGMDQTYTCBB-FXPVBKGRSA-N	-1	1	310.191	3.073	10	0		DGAEMM
CCc1cc(=O)[n-]c(SCCCC(=O)c2ccccc2)n1	ZINC000188083861	529507113	/nfs/dbraw/zinc/50/71/13/529507113.db2.gz	PZBQQUVQODVNGG-UHFFFAOYSA-N	-1	1	302.399	3.088	10	0		DGAEMM
CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccccc2O)cc1	ZINC000071660646	191001094	/nfs/dbraw/zinc/00/10/94/191001094.db2.gz	SVDFFBADDWMHPJ-UHFFFAOYSA-N	-1	1	305.399	3.491	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCCCOCC(F)(F)F)[n-]1	ZINC000188131665	200198254	/nfs/dbraw/zinc/19/82/54/200198254.db2.gz	YHHKOCGMABTWFA-UHFFFAOYSA-N	-1	1	308.325	3.121	10	0		DGAEMM
Cc1nc(-c2ccc(NC[C@@H](C)C(C)C)nc2)[n-]c(=O)c1C	ZINC000078297217	283861768	/nfs/dbraw/zinc/86/17/68/283861768.db2.gz	CMEIFHVMQVDCMP-LLVKDONJSA-N	-1	1	300.406	3.153	10	0		DGAEMM
Cc1nc([C@H]2CCCN2C(=O)c2cc(F)ccc2[O-])cs1	ZINC000190010144	432112665	/nfs/dbraw/zinc/11/26/65/432112665.db2.gz	SAFJXHBYWRWVBE-CYBMUJFWSA-N	-1	1	306.362	3.274	10	0		DGAEMM
O=C(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1ccccc1[O-]	ZINC000101843315	284020374	/nfs/dbraw/zinc/02/03/74/284020374.db2.gz	SHMUUICZFYSUIK-UHFFFAOYSA-N	-1	1	320.352	3.307	10	0		DGAEMM
CCC1CCC([N-]S(=O)(=O)c2cnc(Cl)s2)CC1	ZINC000042581590	183287264	/nfs/dbraw/zinc/28/72/64/183287264.db2.gz	OLIYEIKFBHNLRI-UHFFFAOYSA-N	-1	1	308.856	3.044	10	0		DGAEMM
CCN(Cc1ccc(F)cc1Br)C[C@H](C)C(=O)[O-]	ZINC000061219753	184166065	/nfs/dbraw/zinc/16/60/65/184166065.db2.gz	KRWXUDPNQVTANJ-VIFPVBQESA-N	-1	1	318.186	3.131	10	0		DGAEMM
Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(Cl)cc1F	ZINC000119698355	195019199	/nfs/dbraw/zinc/01/91/99/195019199.db2.gz	OBIJDBWIWUDXFH-UHFFFAOYSA-N	-1	1	322.649	3.177	10	0		DGAEMM
CCc1noc(C)c1[N-]C(=O)c1c(C)onc1-c1ccccn1	ZINC000121003077	195277923	/nfs/dbraw/zinc/27/79/23/195277923.db2.gz	HGGHHNXOPWBBFL-UHFFFAOYSA-N	-1	1	312.329	3.156	10	0		DGAEMM
COc1cc(C)cc([N-]S(=O)(=O)c2cccc(F)c2)c1C	ZINC000447266893	533646732	/nfs/dbraw/zinc/64/67/32/533646732.db2.gz	YSSOEJJAUNVXPV-UHFFFAOYSA-N	-1	1	309.362	3.252	10	0		DGAEMM
Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1F	ZINC000034940548	400386542	/nfs/dbraw/zinc/38/65/42/400386542.db2.gz	VZFCMVCZCROBGE-UHFFFAOYSA-N	-1	1	318.732	3.001	10	0		DGAEMM
O=C(Nc1ccc2nccn2c1)c1cc2ccccc2cc1[O-]	ZINC000604267522	400760387	/nfs/dbraw/zinc/76/03/87/400760387.db2.gz	YOXASGLTPOADHK-UHFFFAOYSA-N	-1	1	303.321	3.445	10	0		DGAEMM
Cc1[nH]nc2cc([N-]S(=O)(=O)c3c(C)cccc3F)ccc12	ZINC000187041519	165072398	/nfs/dbraw/zinc/07/23/98/165072398.db2.gz	LCXFZBXVTIGUIZ-UHFFFAOYSA-N	-1	1	319.361	3.120	10	0		DGAEMM
O=C(c1ncccc1[O-])N1CCC[C@H](c2cc(F)ccc2F)C1	ZINC000191530062	165257866	/nfs/dbraw/zinc/25/78/66/165257866.db2.gz	OKEWUCWBVUNQIE-NSHDSACASA-N	-1	1	318.323	3.085	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CCO[C@@H](c2cccs2)C1	ZINC000134349025	196381376	/nfs/dbraw/zinc/38/13/76/196381376.db2.gz	UPAKPFCHMRFTEZ-CYBMUJFWSA-N	-1	1	323.801	3.321	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H]1c1cc[nH]n1	ZINC000370476223	271362674	/nfs/dbraw/zinc/36/26/74/271362674.db2.gz	HPVYLRJPJBFJHL-INIZCTEOSA-N	-1	1	307.353	3.246	10	0		DGAEMM
O=c1nc(CN2CCC[C@]3(CC=CCC3)C2)[n-]c2ccsc21	ZINC000114495188	431393661	/nfs/dbraw/zinc/39/36/61/431393661.db2.gz	CCZJZSVKWVISRI-QGZVFWFLSA-N	-1	1	315.442	3.307	10	0		DGAEMM
COc1ccc([C@@H]2CC(=O)c3c(OC)cc([O-])cc3O2)cc1	ZINC000014806846	431594305	/nfs/dbraw/zinc/59/43/05/431594305.db2.gz	KFGFEKHSEPSVNO-AWEZNQCLSA-N	-1	1	300.310	3.116	10	0	biogenic	DGAEMM
C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(Br)cc1[O-]	ZINC000088707546	431858688	/nfs/dbraw/zinc/85/86/88/431858688.db2.gz	IXNLIHAGGUGRLA-VHSXEESVSA-N	-1	1	312.207	3.415	10	0		DGAEMM
O=C([N-]c1nnc(C(F)F)s1)c1scnc1C1CC1	ZINC000089780368	431878475	/nfs/dbraw/zinc/87/84/75/431878475.db2.gz	BVZLXWSFEJUURI-UHFFFAOYSA-N	-1	1	302.331	3.062	10	0		DGAEMM
Cc1ccc(CN(C)c2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)o1	ZINC000301711072	433689379	/nfs/dbraw/zinc/68/93/79/433689379.db2.gz	DQMXNGYCUWZTRL-UHFFFAOYSA-N	-1	1	324.384	3.399	10	0		DGAEMM
C[C@H]1CCN(C(=O)C(=O)c2ccc([O-])cc2)[C@H](c2ccco2)C1	ZINC000436702229	434077841	/nfs/dbraw/zinc/07/78/41/434077841.db2.gz	HJUIBFHVWZXNTA-WFASDCNBSA-N	-1	1	313.353	3.168	10	0		DGAEMM
CC(=O)c1cc(I)cc(C(F)F)c1[O-]	ZINC000575670330	435042426	/nfs/dbraw/zinc/04/24/26/435042426.db2.gz	ZVVRCOAWDMQTSH-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
CCCCc1noc([C@@H](C)Sc2nc(C)c(C)c(=O)[n-]2)n1	ZINC000538516873	435504369	/nfs/dbraw/zinc/50/43/69/435504369.db2.gz	VCFVAFJOIVLBCF-SNVBAGLBSA-N	-1	1	308.407	3.378	10	0		DGAEMM
O=C(N[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(Br)c([O-])c1	ZINC000649124248	435519991	/nfs/dbraw/zinc/51/99/91/435519991.db2.gz	YKZXNBQPIPRMAA-MKPLZMMCSA-N	-1	1	310.191	3.073	10	0		DGAEMM
CO[C@]1(C(=O)[O-])CCN([C@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000530172533	313332073	/nfs/dbraw/zinc/33/20/73/313332073.db2.gz	YSRATDURXREDCY-YMTOWFKASA-N	-1	1	318.200	3.230	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000530172531	313332187	/nfs/dbraw/zinc/33/21/87/313332187.db2.gz	YSRATDURXREDCY-XPTSAGLGSA-N	-1	1	318.200	3.230	10	0		DGAEMM
CCOc1cc(-c2n[n-]c(=S)n2C)cc(OCC)c1OCC	ZINC000026469636	520613729	/nfs/dbraw/zinc/61/37/29/520613729.db2.gz	SJVCULBEJCSMQX-UHFFFAOYSA-N	-1	1	323.418	3.341	10	0		DGAEMM
CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCCC2	ZINC000181231393	527900903	/nfs/dbraw/zinc/90/09/03/527900903.db2.gz	MZDUTILMIYHJPH-JKSUJKDBSA-N	-1	1	321.392	3.341	10	0		DGAEMM
CCO[C@H]1C[C@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCCC2	ZINC000181231407	528129660	/nfs/dbraw/zinc/12/96/60/528129660.db2.gz	MZDUTILMIYHJPH-HOTGVXAUSA-N	-1	1	321.392	3.341	10	0		DGAEMM
O=C(N[C@@H]1CCCC1(F)F)c1cc(Br)ccc1[O-]	ZINC000398324608	575962136	/nfs/dbraw/zinc/96/21/36/575962136.db2.gz	KKBWSIJGPPPVRY-SNVBAGLBSA-N	-1	1	320.133	3.072	10	0		DGAEMM
COC(=O)Nc1ccc(C(=O)Nc2ccc([O-])c(Cl)c2)cc1	ZINC000111666984	620746368	/nfs/dbraw/zinc/74/63/68/620746368.db2.gz	XNNIYOBPUGKZMX-UHFFFAOYSA-N	-1	1	320.732	3.476	10	0		DGAEMM
CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1	ZINC000255697684	655890705	/nfs/dbraw/zinc/89/07/05/655890705.db2.gz	SIEYJWDFGDTTHD-KHPPLWFESA-N	-1	1	319.357	3.441	10	0		DGAEMM
O=S(=O)(/C=C\c1ccc(Cl)cc1)[N-]c1cccc(F)n1	ZINC000312173481	659498340	/nfs/dbraw/zinc/49/83/40/659498340.db2.gz	LMMAUXCHUOKQTG-HJWRWDBZSA-N	-1	1	312.753	3.287	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2cc(O)cc(F)c2)cc(C)c1F	ZINC000131419454	432036647	/nfs/dbraw/zinc/03/66/47/432036647.db2.gz	PGWFPEWGKGAFHL-UHFFFAOYSA-N	-1	1	313.325	3.088	10	0		DGAEMM
CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(F)ccc2[O-])no1	ZINC000179646865	199069369	/nfs/dbraw/zinc/06/93/69/199069369.db2.gz	NZQHMSSZCHFHHS-LBPRGKRZSA-N	-1	1	319.336	3.015	10	0		DGAEMM
O=c1cc(C2CC2)nc(SCc2nc(C3CCCC3)no2)[n-]1	ZINC000188132126	200198313	/nfs/dbraw/zinc/19/83/13/200198313.db2.gz	UDBKTOYMNPWDCI-UHFFFAOYSA-N	-1	1	318.402	3.393	10	0		DGAEMM
O=C(CSc1nc(C2CC2)cc(=O)[n-]1)c1cc(F)ccc1F	ZINC000195083605	201336961	/nfs/dbraw/zinc/33/69/61/201336961.db2.gz	NJYUUHFJAXTJIM-UHFFFAOYSA-N	-1	1	322.336	3.313	10	0		DGAEMM
Cc1nc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)cs1	ZINC000190007709	432111326	/nfs/dbraw/zinc/11/13/26/432111326.db2.gz	DPCCQWDSQYYEON-CQSZACIVSA-N	-1	1	306.362	3.274	10	0		DGAEMM
O=C1CO[C@H](c2ccc([O-])c(Cl)c2)CN1Cc1ccccc1	ZINC000113569977	400380946	/nfs/dbraw/zinc/38/09/46/400380946.db2.gz	VOHXARNGFVMCSS-INIZCTEOSA-N	-1	1	317.772	3.146	10	0		DGAEMM
Cc1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c(C)s1	ZINC000134792628	400581392	/nfs/dbraw/zinc/58/13/92/400581392.db2.gz	BVIXVPHTFHTUFQ-UHFFFAOYSA-N	-1	1	313.448	3.186	10	0		DGAEMM
CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000171013561	400781881	/nfs/dbraw/zinc/78/18/81/400781881.db2.gz	RUUFZFLYWVEZOU-NSHDSACASA-N	-1	1	309.362	3.334	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)c([O-])c1	ZINC000408223317	165949928	/nfs/dbraw/zinc/94/99/28/165949928.db2.gz	HZCJXGWZGSJTJE-DGCLKSJQSA-N	-1	1	300.358	3.302	10	0		DGAEMM
CCC[C@H](N[C@@H](C)C(=O)Nc1ccc2ccccc2c1)C(=O)[O-]	ZINC000185037231	276287126	/nfs/dbraw/zinc/28/71/26/276287126.db2.gz	ZEWPZTXRGVKBCO-LRDDRELGSA-N	-1	1	314.385	3.010	10	0		DGAEMM
O=C([O-])[C@@H]1Cc2ccc(Cl)cc2CN1Cc1ccccc1	ZINC000008698955	431404738	/nfs/dbraw/zinc/40/47/38/431404738.db2.gz	UDRVQEQRTBTYAW-INIZCTEOSA-N	-1	1	301.773	3.352	10	0		DGAEMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)cc1	ZINC000074842552	431441703	/nfs/dbraw/zinc/44/17/03/431441703.db2.gz	BEWWMFGZGFKWHE-UHFFFAOYSA-N	-1	1	316.382	3.367	10	0		DGAEMM
O=c1[n-]c(-c2ccccc2Br)nc2c1CCCC2	ZINC000038265739	431855299	/nfs/dbraw/zinc/85/52/99/431855299.db2.gz	SULXPPXZTABPFY-UHFFFAOYSA-N	-1	1	305.175	3.078	10	0		DGAEMM
CS[C@@H]1CCCCN(C(=O)c2c([O-])cnc3ccccc32)C1	ZINC000123217553	431858195	/nfs/dbraw/zinc/85/81/95/431858195.db2.gz	IYGPYNNJLBRNGA-GFCCVEGCSA-N	-1	1	316.426	3.298	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2cccc(Cl)c2F)[n-]1	ZINC000090371192	431891229	/nfs/dbraw/zinc/89/12/29/431891229.db2.gz	IYPVKRWOFKYPNW-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
O=C(c1cc2ccccc2cc1[O-])N1CCO[C@@H]2CCCC[C@H]21	ZINC000127688114	431978040	/nfs/dbraw/zinc/97/80/40/431978040.db2.gz	TXLJTEMFSGCYBO-SJLPKXTDSA-N	-1	1	311.381	3.329	10	0		DGAEMM
O=C(C=C([O-])C(=O)Nc1nccs1)c1cccc2ccccc21	ZINC000102977186	432001119	/nfs/dbraw/zinc/00/11/19/432001119.db2.gz	HZBVYRGSIUNBIA-UHFFFAOYSA-N	-1	1	324.361	3.077	10	0		DGAEMM
C[C@H]1CCN(C(=O)c2ncccc2[O-])[C@H]1c1cccc(F)c1	ZINC000153936729	432457979	/nfs/dbraw/zinc/45/79/79/432457979.db2.gz	AVCRSJMKFMWOOH-MEDUHNTESA-N	-1	1	300.333	3.150	10	0		DGAEMM
O=C([O-])[C@@H]1CN(Cc2cccc(Cl)c2)C[C@H]1C(F)(F)F	ZINC000262924102	432508740	/nfs/dbraw/zinc/50/87/40/432508740.db2.gz	HFZMXVXOHQTWBY-GHMZBOCLSA-N	-1	1	307.699	3.035	10	0		DGAEMM
CCCn1nccc1NC(=O)c1cc(Cl)c([O-])c(OCC)c1	ZINC000186769307	432628145	/nfs/dbraw/zinc/62/81/45/432628145.db2.gz	LWHARZDQUMEMKQ-UHFFFAOYSA-N	-1	1	323.780	3.303	10	0		DGAEMM
COc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)cc2)c1C	ZINC000447267651	433177180	/nfs/dbraw/zinc/17/71/80/433177180.db2.gz	PGAOVIUYMUEJRQ-UHFFFAOYSA-N	-1	1	305.399	3.421	10	0		DGAEMM
O=C(NC1(CCO)CCCCC1)c1ccc2ccccc2c1[O-]	ZINC000436797790	434111776	/nfs/dbraw/zinc/11/17/76/434111776.db2.gz	PIAJVNGFDBBGRA-UHFFFAOYSA-N	-1	1	313.397	3.361	10	0		DGAEMM
CC(=O)c1ccc(NC(=O)C(=O)c2ccc([O-])cc2)cc1Cl	ZINC000436999867	434199930	/nfs/dbraw/zinc/19/99/30/434199930.db2.gz	SDPXQVKAVANUTO-UHFFFAOYSA-N	-1	1	317.728	3.070	10	0		DGAEMM
CO[C@H](C)c1nc(=N[C@@H](C)CCOCc2ccccc2)s[n-]1	ZINC000340995206	434476284	/nfs/dbraw/zinc/47/62/84/434476284.db2.gz	MXIKOMZBEUYXCE-QWHCGFSZSA-N	-1	1	321.446	3.075	10	0		DGAEMM
c1cc(-c2ccccc2)oc1CNC1(c2nnn[n-]2)CCCC1	ZINC000354203677	434669470	/nfs/dbraw/zinc/66/94/70/434669470.db2.gz	IYTWYIUAMKAJMJ-UHFFFAOYSA-N	-1	1	309.373	3.019	10	0		DGAEMM
CCCCCC[C@](C)(CC)C(=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC000361217461	434832125	/nfs/dbraw/zinc/83/21/25/434832125.db2.gz	NMNVYGJFNOHMAZ-YOEHRIQHSA-N	-1	1	321.469	3.292	10	0		DGAEMM
CCOC(=O)c1c(Br)cc([O-])cc1C(F)(F)F	ZINC000575699768	435048006	/nfs/dbraw/zinc/04/80/06/435048006.db2.gz	MWENVHHRRZJTNH-UHFFFAOYSA-N	-1	1	313.069	3.350	10	0		DGAEMM
CC(C)CCc1nc(CN2CCC[C@@H](CC(=O)[O-])C2)cs1	ZINC000532712093	435187936	/nfs/dbraw/zinc/18/79/36/435187936.db2.gz	PZUVDILJCICKJQ-ZDUSSCGKSA-N	-1	1	310.463	3.418	10	0		DGAEMM
CO[C@@]1(C(=O)[O-])CCN([C@H](C)c2cc(Cl)ccc2Cl)C1	ZINC000530172530	313332316	/nfs/dbraw/zinc/33/23/16/313332316.db2.gz	YSRATDURXREDCY-OTYXRUKQSA-N	-1	1	318.200	3.230	10	0		DGAEMM
Cc1ccccc1[C@@H]1CN(CCC(C)(C)CC(=O)[O-])CCO1	ZINC000566359607	315337985	/nfs/dbraw/zinc/33/79/85/315337985.db2.gz	KIPVFPNAQFDQEK-INIZCTEOSA-N	-1	1	305.418	3.259	10	0		DGAEMM
COc1ccc([C@H]2CCC([O-])=CC(=O)CCC(=O)C2)cc1C	ZINC000584614991	337372737	/nfs/dbraw/zinc/37/27/37/337372737.db2.gz	GOVXJWZOVCELFR-AWEZNQCLSA-N	-1	1	302.370	3.149	10	0		DGAEMM
CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc([O-])cc2F)C12CCCC2	ZINC000181231423	527800115	/nfs/dbraw/zinc/80/01/15/527800115.db2.gz	MZDUTILMIYHJPH-HZPDHXFCSA-N	-1	1	321.392	3.341	10	0		DGAEMM
CC(C)[C@@H](C)CNC(=O)c1ccc(Br)c([O-])c1	ZINC000179404249	528395810	/nfs/dbraw/zinc/39/58/10/528395810.db2.gz	WCSKYMZLBKSYKZ-VIFPVBQESA-N	-1	1	300.196	3.177	10	0		DGAEMM
C[C@@H]([NH2+]Cc1cscn1)c1cc(Br)ccc1O	ZINC000185246302	660211500	/nfs/dbraw/zinc/21/15/00/660211500.db2.gz	TVPFOSJOZGTOFA-MRVPVSSYSA-N	-1	1	313.220	3.462	10	0		DGAEMM
C[C@]1(C(F)(F)F)CCN(C(=O)c2cc(Cl)ccc2[O-])C1	ZINC000709342510	660928046	/nfs/dbraw/zinc/92/80/46/660928046.db2.gz	PXBVRUNNQYBRPC-LBPRGKRZSA-N	-1	1	307.699	3.460	10	0		DGAEMM
O=C1N[C@H](c2cc(F)c([O-])c(F)c2)Nc2cc(Cl)ccc21	ZINC000175926842	655635845	/nfs/dbraw/zinc/63/58/45/655635845.db2.gz	QGUCPZPRHMZJMV-CYBMUJFWSA-N	-1	1	310.687	3.178	10	0		DGAEMM
CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc([O-])cc2F)no1	ZINC000181242430	199270125	/nfs/dbraw/zinc/27/01/25/199270125.db2.gz	SRPMCULDCXTVPN-CYBMUJFWSA-N	-1	1	319.336	3.015	10	0		DGAEMM
COC(=O)[C@@H](Sc1nc(C2CC2)cc(=O)[n-]1)c1ccccc1	ZINC000195079078	201336141	/nfs/dbraw/zinc/33/61/41/201336141.db2.gz	VUNBZKXFNXXJAP-AWEZNQCLSA-N	-1	1	316.382	3.066	10	0		DGAEMM
CCCC[C@H]1CCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000069225166	283727486	/nfs/dbraw/zinc/72/74/86/283727486.db2.gz	ZFXYWHACLUOGJY-JSGCOSHPSA-N	-1	1	313.401	3.012	10	0		DGAEMM
CC(C)(C)c1noc(CCC(=O)Nc2ccc([O-])c(Cl)c2)n1	ZINC000129628396	284417906	/nfs/dbraw/zinc/41/79/06/284417906.db2.gz	OGKVFJKGOOPTPU-UHFFFAOYSA-N	-1	1	323.780	3.297	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H]1C1CCCC1	ZINC000079426803	296302747	/nfs/dbraw/zinc/30/27/47/296302747.db2.gz	SSMHLZGHJZBLQY-OAHLLOKOSA-N	-1	1	311.385	3.130	10	0		DGAEMM
C[C@H]([N-]S(=O)(=O)c1cnc(Cl)s1)C1CCCCC1	ZINC000052341903	183858447	/nfs/dbraw/zinc/85/84/47/183858447.db2.gz	FUUWPKFGFPBATA-QMMMGPOBSA-N	-1	1	308.856	3.044	10	0		DGAEMM
Cc1cnc(CCN(C)C(=O)c2ccc(Cl)cc2[O-])s1	ZINC000119852372	195048488	/nfs/dbraw/zinc/04/84/88/195048488.db2.gz	IINGTNGKKQBKAI-UHFFFAOYSA-N	-1	1	310.806	3.125	10	0		DGAEMM
COc1ccc([C@H](C)NC(=O)c2c([O-])cccc2F)cc1F	ZINC000163650734	533164434	/nfs/dbraw/zinc/16/44/34/533164434.db2.gz	YLYHGZWPTAJTDA-VIFPVBQESA-N	-1	1	307.296	3.170	10	0		DGAEMM
CCOC(=O)c1nc(Br)[n-]c1C1CCCCC1	ZINC000261214668	401111991	/nfs/dbraw/zinc/11/19/91/401111991.db2.gz	ISRHJUKVQCDKNS-UHFFFAOYSA-N	-1	1	301.184	3.397	10	0		DGAEMM
CCOC(=O)c1[n-]c(Br)nc1C1CCCCC1	ZINC000261214668	401111994	/nfs/dbraw/zinc/11/19/94/401111994.db2.gz	ISRHJUKVQCDKNS-UHFFFAOYSA-N	-1	1	301.184	3.397	10	0		DGAEMM
O=S(=O)([N-]Cc1ccsc1)c1c(F)cccc1Cl	ZINC000131241948	196153359	/nfs/dbraw/zinc/15/33/59/196153359.db2.gz	YMSMSSYURWRGSE-UHFFFAOYSA-N	-1	1	305.783	3.019	10	0		DGAEMM
CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c1	ZINC000074842567	431441775	/nfs/dbraw/zinc/44/17/75/431441775.db2.gz	WVXSOSKKBITIHM-UHFFFAOYSA-N	-1	1	314.366	3.171	10	0		DGAEMM
COc1ccc(OCCCCCC[P@](=O)([O-])O)c(Cl)c1	ZINC000027731554	431695743	/nfs/dbraw/zinc/69/57/43/431695743.db2.gz	JKYBVGUADGJYPY-UHFFFAOYSA-N	-1	1	322.725	3.466	10	0		DGAEMM
CS[C@H]1CCCCN(C(=O)c2c([O-])cnc3ccccc32)C1	ZINC000123217778	431858553	/nfs/dbraw/zinc/85/85/53/431858553.db2.gz	IYGPYNNJLBRNGA-LBPRGKRZSA-N	-1	1	316.426	3.298	10	0		DGAEMM
CC(C)N(CCc1nccs1)C(=O)c1cc(F)ccc1[O-]	ZINC000093245090	431914663	/nfs/dbraw/zinc/91/46/63/431914663.db2.gz	VFRMRCQENKGXRJ-UHFFFAOYSA-N	-1	1	308.378	3.081	10	0		DGAEMM
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1cc(F)ccc1[O-]	ZINC000094106172	431919216	/nfs/dbraw/zinc/91/92/16/431919216.db2.gz	VFIFZRWNIYUWBB-SFHVURJKSA-N	-1	1	322.339	3.446	10	0		DGAEMM
CCc1nnc([N-]C(=O)c2nc(C)oc2-c2ccccc2)s1	ZINC000183700387	432317802	/nfs/dbraw/zinc/31/78/02/432317802.db2.gz	BHXAZDFLNGDJJC-UHFFFAOYSA-N	-1	1	314.370	3.316	10	0		DGAEMM
Cc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCO2)o1	ZINC000154296398	432489351	/nfs/dbraw/zinc/48/93/51/432489351.db2.gz	HECOKPXOHQXUCG-OAHLLOKOSA-N	-1	1	321.760	3.161	10	0		DGAEMM
COc1c(C)cnc(CSc2nc(C3CC3)cc(=O)[n-]2)c1C	ZINC000188133636	432708139	/nfs/dbraw/zinc/70/81/39/432708139.db2.gz	INGWCHURSXAPCZ-UHFFFAOYSA-N	-1	1	317.414	3.372	10	0		DGAEMM
COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1F	ZINC000188573230	432731679	/nfs/dbraw/zinc/73/16/79/432731679.db2.gz	AXMJLSLDDPEMJX-UHFFFAOYSA-N	-1	1	315.391	3.313	10	0		DGAEMM
CCCc1cc(=O)[n-]c(SCc2nc(C3CCCC3)no2)n1	ZINC000161834912	432799642	/nfs/dbraw/zinc/79/96/42/432799642.db2.gz	ZQYXZBNRZDELJO-UHFFFAOYSA-N	-1	1	320.418	3.468	10	0		DGAEMM
O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)c1cncc([O-])c1	ZINC000373915367	293331944	/nfs/dbraw/zinc/33/19/44/293331944.db2.gz	GEBPYAHZNCIKRK-YEORSEQZSA-N	-1	1	302.761	3.117	10	0		DGAEMM
CC(F)(F)CCCNC(=O)c1cc(Br)ccc1[O-]	ZINC000390298047	434355896	/nfs/dbraw/zinc/35/58/96/434355896.db2.gz	JQHJPSYGDHOYMI-UHFFFAOYSA-N	-1	1	322.149	3.320	10	0		DGAEMM
CC(F)(F)CCCNC(=O)c1ccc(Br)cc1[O-]	ZINC000390295957	434357832	/nfs/dbraw/zinc/35/78/32/434357832.db2.gz	FGKAQPVMISCXSC-UHFFFAOYSA-N	-1	1	322.149	3.320	10	0		DGAEMM
Cc1cnc(C(=O)N2CCCCC[C@H]2c2ccco2)c([O-])c1	ZINC000408228157	434554653	/nfs/dbraw/zinc/55/46/53/434554653.db2.gz	GJTWOKAZQQLWOH-ZDUSSCGKSA-N	-1	1	300.358	3.446	10	0		DGAEMM
COC(=O)Cc1c([O-])c(C(F)(F)F)ccc1C(F)(F)F	ZINC000575381860	435033533	/nfs/dbraw/zinc/03/35/33/435033533.db2.gz	YXNDMASPBQALEW-UHFFFAOYSA-N	-1	1	302.170	3.145	10	0		DGAEMM
CC(=O)c1cc(C(F)F)cc(I)c1[O-]	ZINC000575670335	435042026	/nfs/dbraw/zinc/04/20/26/435042026.db2.gz	ZWUNYRFNZPQFBJ-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
[O-]c1ccc(I)c(OC(F)(F)F)c1F	ZINC000575707267	435048853	/nfs/dbraw/zinc/04/88/53/435048853.db2.gz	SGISJOGCCRTFDI-UHFFFAOYSA-N	-1	1	321.995	3.035	10	0		DGAEMM
C[C@@]1(NC(=O)c2ccc(Br)cc2[O-])CC=CCC1	ZINC000398350068	1177017933	/nfs/dbraw/zinc/01/79/33/1177017933.db2.gz	WWFGMPSSZHHEGW-CQSZACIVSA-N	-1	1	310.191	3.383	10	0		DGAEMM
O=C(NCCCCOCc1ccccc1)c1cc(F)ccc1[O-]	ZINC000175210596	534838957	/nfs/dbraw/zinc/83/89/57/534838957.db2.gz	LPVQIAVZAMQPDS-UHFFFAOYSA-N	-1	1	317.360	3.258	10	0		DGAEMM
CC(=O)c1cnc(NC(=O)c2cc([O-])c3ccccc3c2)s1	ZINC000349895940	546605029	/nfs/dbraw/zinc/60/50/29/546605029.db2.gz	QABZWPHTXNZBOH-UHFFFAOYSA-N	-1	1	312.350	3.457	10	0		DGAEMM
CC(C)[C@@H](C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1)c1cccc(Cl)c1	ZINC000898871804	619297007	/nfs/dbraw/zinc/29/70/07/619297007.db2.gz	PHQDWOBYNVJHJR-ZUZCIYMTSA-N	-1	1	321.808	3.386	10	0		DGAEMM
COc1cccc(Cl)c1CC(=O)[N-]OCc1ccccc1	ZINC000133766714	626837535	/nfs/dbraw/zinc/83/75/35/626837535.db2.gz	HUBQJGVISHLXQZ-UHFFFAOYSA-N	-1	1	305.761	3.139	10	0		DGAEMM
CC(=O)c1ccccc1[N-]S(=O)(=O)C=Cc1ccc(F)cc1	ZINC000176676352	655780420	/nfs/dbraw/zinc/78/04/20/655780420.db2.gz	SIEYJWDFGDTTHD-ZHACJKMWSA-N	-1	1	319.357	3.441	10	0		DGAEMM
CC(C)c1[nH]ncc1C(=O)Nc1ccc2[n-]c(=S)oc2c1	ZINC000193724948	662146744	/nfs/dbraw/zinc/14/67/44/662146744.db2.gz	XEBGTXVUCLGNJP-UHFFFAOYSA-N	-1	1	302.359	3.215	10	0		DGAEMM
CC1(C2(NC(=O)c3ccc(Br)cc3[O-])CC2)CC1	ZINC000398281193	1177017108	/nfs/dbraw/zinc/01/71/08/1177017108.db2.gz	PGEDTWBUWOSOSN-UHFFFAOYSA-N	-1	1	310.191	3.217	10	0		DGAEMM
CC1CCN(c2ccc(NC(=O)c3ccc([O-])cn3)cc2)CC1	ZINC000586736753	1177075343	/nfs/dbraw/zinc/07/53/43/1177075343.db2.gz	PNDHLNNUAXYTKX-UHFFFAOYSA-N	-1	1	311.385	3.276	10	0		DGAEMM
CC(C)[C@@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1	ZINC000323933034	1197691385	/nfs/dbraw/zinc/69/13/85/1197691385.db2.gz	ZWZBDBMPTVMAOE-CYBMUJFWSA-N	-1	1	312.207	3.319	10	0		DGAEMM
O=C(N[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)cc1[O-]	ZINC000403586922	1199505899	/nfs/dbraw/zinc/50/58/99/1199505899.db2.gz	DBHZOJSZJKIYGH-FXPVBKGRSA-N	-1	1	310.191	3.073	10	0		DGAEMM
O=C(N[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)cc1[O-]	ZINC000403586920	1199506680	/nfs/dbraw/zinc/50/66/80/1199506680.db2.gz	DBHZOJSZJKIYGH-ATZCPNFKSA-N	-1	1	310.191	3.073	10	0		DGAEMM
CC(C)C[C@H](C)NC(=O)c1ccc(Br)cc1[O-]	ZINC000044490638	1096285947	/nfs/dbraw/zinc/28/59/47/1096285947.db2.gz	UJAVGFAJVABAHX-VIFPVBQESA-N	-1	1	300.196	3.319	10	0		DGAEMM
C[C@H](c1ccccc1)N(C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000079095114	185157750	/nfs/dbraw/zinc/15/77/50/185157750.db2.gz	VHAQGNJOBVSWMY-GFCCVEGCSA-N	-1	1	307.353	3.169	10	0		DGAEMM
O=c1cc(C(F)(F)F)nc(CNc2ccc(F)cc2Cl)[n-]1	ZINC000090371054	185292985	/nfs/dbraw/zinc/29/29/85/185292985.db2.gz	ZNNVKPCYEKAXIC-UHFFFAOYSA-N	-1	1	321.661	3.193	10	0		DGAEMM
O=S(=O)([N-]C[C@@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1F	ZINC000111358737	185587620	/nfs/dbraw/zinc/58/76/20/185587620.db2.gz	JDHWRXNSARFUHG-GXTWGEPZSA-N	-1	1	323.364	3.047	10	0		DGAEMM
C[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@H]1c1ccccc1	ZINC000075539425	290794969	/nfs/dbraw/zinc/79/49/69/290794969.db2.gz	UGKSWVBKRYUWOP-BLLLJJGKSA-N	-1	1	319.364	3.169	10	0		DGAEMM
CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccccc1O	ZINC000071660640	191000718	/nfs/dbraw/zinc/00/07/18/191000718.db2.gz	IIFNPALBKWIHQF-UHFFFAOYSA-N	-1	1	305.399	3.318	10	0		DGAEMM
O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1c([O-])cccc1F	ZINC000163822947	432043980	/nfs/dbraw/zinc/04/39/80/432043980.db2.gz	SMTGYWHKOPDOHG-DTWKUNHWSA-N	-1	1	305.271	3.382	10	0		DGAEMM
CC(C)c1noc([C@H](C)Sc2nc(C3CC3)cc(=O)[n-]2)n1	ZINC000188149341	200200965	/nfs/dbraw/zinc/20/09/65/200200965.db2.gz	SMOFXNVUJWJSLE-QMMMGPOBSA-N	-1	1	306.391	3.419	10	0		DGAEMM
CC(C)COC1CCN(C(=O)c2cc(Cl)ccc2[O-])CC1	ZINC000079204529	283875903	/nfs/dbraw/zinc/87/59/03/283875903.db2.gz	JKKZKRNGAIKSSC-UHFFFAOYSA-N	-1	1	311.809	3.323	10	0		DGAEMM
Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(Cl)c1	ZINC000021813750	182292576	/nfs/dbraw/zinc/29/25/76/182292576.db2.gz	RLAKZPRFFJDPOI-UHFFFAOYSA-N	-1	1	317.197	3.376	10	0		DGAEMM
O=c1ccnc(SCc2ccc(Br)s2)[n-]1	ZINC000043682126	183380296	/nfs/dbraw/zinc/38/02/96/183380296.db2.gz	LQJDCERGBYALGF-UHFFFAOYSA-N	-1	1	303.206	3.299	10	0		DGAEMM
O=C1CO[C@@H](c2ccc([O-])c(Cl)c2)CN1Cc1ccccc1	ZINC000113569980	400381414	/nfs/dbraw/zinc/38/14/14/400381414.db2.gz	VOHXARNGFVMCSS-MRXNPFEDSA-N	-1	1	317.772	3.146	10	0		DGAEMM
O=C(Nc1c([O-])cccc1F)c1ccc(Br)o1	ZINC000605440605	400863316	/nfs/dbraw/zinc/86/33/16/400863316.db2.gz	WPZCWQQRQSFYBS-UHFFFAOYSA-N	-1	1	300.083	3.139	10	0		DGAEMM
Cc1ccc2nc(CSc3nc(C4CC4)cc(=O)[n-]3)cn2c1	ZINC000195086327	400922971	/nfs/dbraw/zinc/92/29/71/400922971.db2.gz	LRHHVLHRGSGKKE-UHFFFAOYSA-N	-1	1	312.398	3.308	10	0		DGAEMM
O=C(c1ccc(Cl)cc1[O-])N1CCO[C@H](c2cccs2)C1	ZINC000134349585	196381070	/nfs/dbraw/zinc/38/10/70/196381070.db2.gz	MYXTZYVMFZZUFX-ZDUSSCGKSA-N	-1	1	323.801	3.321	10	0		DGAEMM
O=C(N[C@@H](c1ccccc1)c1ccncc1)c1c([O-])cccc1F	ZINC000185102927	228389156	/nfs/dbraw/zinc/38/91/56/228389156.db2.gz	IOZMMXDAPOOIMK-SFHVURJKSA-N	-1	1	322.339	3.446	10	0		DGAEMM
CCCN(Cc1ccccc1)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000074272091	431408042	/nfs/dbraw/zinc/40/80/42/431408042.db2.gz	VSABNZOEVXZJFQ-UHFFFAOYSA-N	-1	1	321.380	3.388	10	0		DGAEMM
CC(C)CN(CC(C)(C)C)C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000128058169	431986131	/nfs/dbraw/zinc/98/61/31/431986131.db2.gz	IWIONGIAZDTCGY-UHFFFAOYSA-N	-1	1	315.417	3.067	10	0		DGAEMM
C[C@@]1(C(=O)Nc2n[n-]c(C(F)(F)F)n2)CCCc2ccccc21	ZINC000102889654	432000096	/nfs/dbraw/zinc/00/00/96/432000096.db2.gz	CRNZAHWZWGHVKY-CQSZACIVSA-N	-1	1	324.306	3.056	10	0		DGAEMM
C[C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H]1c1cccc(F)c1	ZINC000153936421	432458023	/nfs/dbraw/zinc/45/80/23/432458023.db2.gz	AVCRSJMKFMWOOH-BZNIZROVSA-N	-1	1	300.333	3.150	10	0		DGAEMM
O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nccs2)C1	ZINC000175218203	432412494	/nfs/dbraw/zinc/41/24/94/432412494.db2.gz	HEUBOUCCIAUSBA-JTQLQIEISA-N	-1	1	306.362	3.008	10	0		DGAEMM
O=C([O-])[C@@H]1CN(Cc2sccc2Cl)C[C@H]1C(F)(F)F	ZINC000263573395	432558123	/nfs/dbraw/zinc/55/81/23/432558123.db2.gz	MHMUSLQANMDUSJ-RNFRBKRXSA-N	-1	1	313.728	3.096	10	0		DGAEMM
CCN(CCc1nccs1)C(=O)c1cc(Cl)ccc1[O-]	ZINC000162363398	432821303	/nfs/dbraw/zinc/82/13/03/432821303.db2.gz	WDAXUYCEFGQQCQ-UHFFFAOYSA-N	-1	1	310.806	3.207	10	0		DGAEMM
COc1cnccc1[C@H](C)NC(=O)c1cc2ccccc2cc1[O-]	ZINC000189600115	432803328	/nfs/dbraw/zinc/80/33/28/432803328.db2.gz	UEYMKCRIHQNBAR-LBPRGKRZSA-N	-1	1	322.364	3.440	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(Br)c([O-])c1	ZINC000403590515	293871728	/nfs/dbraw/zinc/87/17/28/293871728.db2.gz	DWMSIYIIZWALKO-JFGNBEQYSA-N	-1	1	324.218	3.321	10	0		DGAEMM
Cn1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3cc2[O-])cn1	ZINC000179540711	294278948	/nfs/dbraw/zinc/27/89/48/294278948.db2.gz	DJQVQNFHEJWLFD-KRWDZBQOSA-N	-1	1	321.380	3.256	10	0		DGAEMM
O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Br)c([O-])c1	ZINC000403590513	434504892	/nfs/dbraw/zinc/50/48/92/434504892.db2.gz	DWMSIYIIZWALKO-FOGDFJRCSA-N	-1	1	324.218	3.321	10	0		DGAEMM
Cc1cc(I)cc([O-])c1Br	ZINC000575693526	435045082	/nfs/dbraw/zinc/04/50/82/435045082.db2.gz	ZOZVNBUOXJZROY-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
Cc1cnc(C(=O)N2CC[C@@H](c3cccc(Cl)c3)C2)c([O-])c1	ZINC000496788499	435254756	/nfs/dbraw/zinc/25/47/56/435254756.db2.gz	TZOYOGXMQBIKCQ-CYBMUJFWSA-N	-1	1	316.788	3.379	10	0		DGAEMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@H]1c1ccccc1	ZINC000074273374	304608159	/nfs/dbraw/zinc/60/81/59/304608159.db2.gz	XLEMIBAIWGGCED-MRXNPFEDSA-N	-1	1	319.364	3.313	10	0		DGAEMM
Cc1ccc(-c2noc(=N[C@@H]3CN(C)Cc4ccccc43)[n-]2)cc1	ZINC000540905569	435624994	/nfs/dbraw/zinc/62/49/94/435624994.db2.gz	SGVBKOQWJGLIIP-QGZVFWFLSA-N	-1	1	320.396	3.066	10	0		DGAEMM
CC(=O)CCC(C)(C)C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1	ZINC000560326402	314912104	/nfs/dbraw/zinc/91/21/04/314912104.db2.gz	PBGDSMMSJFENCQ-UHFFFAOYSA-N	-1	1	315.373	3.116	10	0		DGAEMM
C[C@H]1C[C@H]1CNC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-]	ZINC000740924165	574945923	/nfs/dbraw/zinc/94/59/23/574945923.db2.gz	PRYXEUWQHNUFRZ-QWRGUYRKSA-N	-1	1	320.389	3.125	10	0		DGAEMM
Cc1nc(-c2ccc(C[N-]C(=O)C(F)(F)F)cc2)cs1	ZINC000725880106	575948309	/nfs/dbraw/zinc/94/83/09/575948309.db2.gz	XOOYYRGGBACXGI-UHFFFAOYSA-N	-1	1	300.305	3.297	10	0		DGAEMM
O=C(N[C@H]1CCCC1(F)F)c1ccc(Br)cc1[O-]	ZINC000398330831	575962560	/nfs/dbraw/zinc/96/25/60/575962560.db2.gz	NDBWDGPZNXYIDQ-JTQLQIEISA-N	-1	1	320.133	3.072	10	0		DGAEMM
C[C@@H]([NH2+]Cc1cscn1)c1ccc(Br)cc1O	ZINC000185246710	660211482	/nfs/dbraw/zinc/21/14/82/660211482.db2.gz	VEVJWNJUPGSPKU-MRVPVSSYSA-N	-1	1	313.220	3.462	10	0		DGAEMM
C[C@@H](NC(=O)c1cc(Br)ccc1[O-])C(C)(C)C	ZINC000226223030	1176573962	/nfs/dbraw/zinc/57/39/62/1176573962.db2.gz	JZNAWVBURHFORW-MRVPVSSYSA-N	-1	1	300.196	3.319	10	0		DGAEMM
CC(C)[C@H](NC(=O)c1cc(Br)ccc1[O-])C1CC1	ZINC000323933035	1197691647	/nfs/dbraw/zinc/69/16/47/1197691647.db2.gz	ZWZBDBMPTVMAOE-ZDUSSCGKSA-N	-1	1	312.207	3.319	10	0		DGAEMM
O=S(=O)(/C=C/c1ccc(F)cc1)[N-]c1cc(Cl)ccn1	ZINC000176458061	1087776892	/nfs/dbraw/zinc/77/68/92/1087776892.db2.gz	BTKQGLXZTBHHAV-SOFGYWHQSA-N	-1	1	312.753	3.287	10	0		DGAEMM
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(C#N)c([O-])c1	ZINC000188609667	1094932985	/nfs/dbraw/zinc/93/29/85/1094932985.db2.gz	DIWWYWFYPPBYCJ-LLVKDONJSA-N	-1	1	300.383	3.029	10	0		DGAEMM
CCc1ccc([C@@H]2CCCCN2C(=O)c2cncc([O-])c2)o1	ZINC000175661548	186185850	/nfs/dbraw/zinc/18/58/50/186185850.db2.gz	AIZYVESOPWEWFU-HNNXBMFYSA-N	-1	1	300.358	3.310	10	0		DGAEMM
Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)[n-]c(=S)c12	ZINC000033753411	182722002	/nfs/dbraw/zinc/72/20/02/182722002.db2.gz	QNGJWRCFQMSUFB-UHFFFAOYSA-N	-1	1	310.304	3.431	10	0		DGAEMM
CO[C@H](C)c1nc(=NCCCCOCc2ccccc2)s[n-]1	ZINC000337921014	253194347	/nfs/dbraw/zinc/19/43/47/253194347.db2.gz	ZXDQYIFCPNWCOX-CYBMUJFWSA-N	-1	1	321.446	3.076	10	0		DGAEMM
COCc1cccc([N-]S(=O)(=O)c2cc(C)sc2C)c1	ZINC000026547497	533252340	/nfs/dbraw/zinc/25/23/40/533252340.db2.gz	DOWVFPPEMUFAEL-UHFFFAOYSA-N	-1	1	311.428	3.312	10	0		DGAEMM
C=C[C@@H](C)OC(C(=O)OC(C)(C)C)=C([O-])c1ccccc1F	ZINC000142838925	400632187	/nfs/dbraw/zinc/63/21/87/400632187.db2.gz	KGLLLFAJIAUYMA-IAQYHMDHSA-N	-1	1	308.349	3.310	10	0		DGAEMM
O=C(C(=O)c1cccc(Br)c1)c1ccc([O-])cc1	ZINC000165764562	400752571	/nfs/dbraw/zinc/75/25/71/400752571.db2.gz	KGBRQZRJOSHGIN-UHFFFAOYSA-N	-1	1	305.127	3.220	10	0		DGAEMM
Cc1cc2cc(S(C)(=O)=O)ccc2c([O-])c1Br	ZINC000221839560	400954666	/nfs/dbraw/zinc/95/46/66/400954666.db2.gz	PAFKPHHBXSSCQD-UHFFFAOYSA-N	-1	1	315.188	3.020	10	0		DGAEMM
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1nc2ccccc2c(=O)[n-]1	ZINC000253543442	401099598	/nfs/dbraw/zinc/09/95/98/401099598.db2.gz	DJZDGRQGRZTJMP-LALPHHSUSA-N	-1	1	311.385	3.129	10	0		DGAEMM
CCOc1cc(C(=O)NCCCCSC)cc(Cl)c1[O-]	ZINC000186821129	165062001	/nfs/dbraw/zinc/06/20/01/165062001.db2.gz	SJCIMOPGAYAFQL-UHFFFAOYSA-N	-1	1	317.838	3.317	10	0		DGAEMM
O=C(c1cc(Br)ccc1[O-])N1CCCC12CCC2	ZINC000373115171	271596804	/nfs/dbraw/zinc/59/68/04/271596804.db2.gz	IGQQGYLQNUMBDK-UHFFFAOYSA-N	-1	1	310.191	3.313	10	0		DGAEMM
C[C@H]1C[C@@H](C(=O)Nc2n[n-]c(C(F)(F)F)n2)CC(C)(C)C1	ZINC000183082909	432256943	/nfs/dbraw/zinc/25/69/43/432256943.db2.gz	GBKIJRLPWVXZEJ-JGVFFNPUSA-N	-1	1	304.316	3.224	10	0		DGAEMM
CC[C@]1(C)CCCN(C(=O)c2cnc3nc(C)ccc3c2[O-])C1	ZINC000075213503	431463664	/nfs/dbraw/zinc/46/36/64/431463664.db2.gz	UQWCXXLNPANENZ-GOSISDBHSA-N	-1	1	313.401	3.296	10	0		DGAEMM
CC[C@]1(C)CCCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)C1	ZINC000075213503	431463670	/nfs/dbraw/zinc/46/36/70/431463670.db2.gz	UQWCXXLNPANENZ-GOSISDBHSA-N	-1	1	313.401	3.296	10	0		DGAEMM
CCOc1ccccc1CN(C)C(=O)c1cc(F)ccc1[O-]	ZINC000081944093	431801547	/nfs/dbraw/zinc/80/15/47/431801547.db2.gz	RGXRUJUJHDFMRY-UHFFFAOYSA-N	-1	1	303.333	3.202	10	0		DGAEMM
C[C@@H]1C[C@H](N(C)C(=O)c2cc3ccccc3cc2O)CC[N@H+]1C	ZINC000124513565	431896198	/nfs/dbraw/zinc/89/61/98/431896198.db2.gz	PPYJBEFAZNPQSC-CZUORRHYSA-N	-1	1	312.413	3.100	10	0		DGAEMM
C[C@@H]1CC[C@H](C)CN1C(=O)c1ccc(Br)c([O-])c1	ZINC000124796889	431905099	/nfs/dbraw/zinc/90/50/99/431905099.db2.gz	IWUOSRBUMWFZTH-VHSXEESVSA-N	-1	1	312.207	3.415	10	0		DGAEMM
O=C([O-])[C@@H]1CN(Cc2ccccc2Cl)C[C@H]1C(F)(F)F	ZINC000263099867	432520107	/nfs/dbraw/zinc/52/01/07/432520107.db2.gz	ZIVXQWIINHOBJL-NXEZZACHSA-N	-1	1	307.699	3.035	10	0		DGAEMM
CC(C)C[C@@H](CO)N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000186647740	432617559	/nfs/dbraw/zinc/61/75/59/432617559.db2.gz	RCTKCJOPRMJEDL-AWEZNQCLSA-N	-1	1	301.386	3.024	10	0		DGAEMM
CC(C)C[C@H](CO)N(C)C(=O)c1ccc2ccccc2c1[O-]	ZINC000186647760	432618575	/nfs/dbraw/zinc/61/85/75/432618575.db2.gz	RCTKCJOPRMJEDL-CQSZACIVSA-N	-1	1	301.386	3.024	10	0		DGAEMM
COC(=O)c1ccc(CSc2nc(C3CC3)cc(=O)[n-]2)cc1	ZINC000188142013	432707703	/nfs/dbraw/zinc/70/77/03/432707703.db2.gz	HHRKRZANKHKQNE-UHFFFAOYSA-N	-1	1	316.382	3.139	10	0		DGAEMM
COc1cnccc1[C@H](C)NC(=O)c1ccc2ccccc2c1[O-]	ZINC000189536141	432797387	/nfs/dbraw/zinc/79/73/87/432797387.db2.gz	UJEFTQNJTSVPRK-LBPRGKRZSA-N	-1	1	322.364	3.440	10	0		DGAEMM
Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCCCC(C)(C)C1	ZINC000408415077	434573116	/nfs/dbraw/zinc/57/31/16/434573116.db2.gz	IEMCCUFWCHQKFG-UHFFFAOYSA-N	-1	1	319.449	3.440	10	0		DGAEMM
CC(=O)c1cc(C(F)F)cc([O-])c1I	ZINC000575669718	435042177	/nfs/dbraw/zinc/04/21/77/435042177.db2.gz	LADMKXLDQLEZBP-UHFFFAOYSA-N	-1	1	312.053	3.137	10	0		DGAEMM
Cc1cc(Br)c([O-])cc1I	ZINC000575693486	435045303	/nfs/dbraw/zinc/04/53/03/435045303.db2.gz	XTSOYEVRKSWINZ-UHFFFAOYSA-N	-1	1	312.932	3.068	10	0		DGAEMM
Cc1ccc2nc(CN=c3nc(C(C)(C)C)[n-]s3)[nH]c2c1	ZINC000477354069	435267744	/nfs/dbraw/zinc/26/77/44/435267744.db2.gz	NNSYIKSPCXSUEL-UHFFFAOYSA-N	-1	1	301.419	3.054	10	0		DGAEMM
Cc1cnc(C(=O)N2CCCCC[C@@H]2c2cccn2C)c([O-])c1	ZINC000408228835	302331320	/nfs/dbraw/zinc/33/13/20/302331320.db2.gz	JWYVJAGWLJOWBM-OAHLLOKOSA-N	-1	1	313.401	3.192	10	0		DGAEMM
Cc1ccccc1[C@H]1CN(CCC(C)(C)CC(=O)[O-])CCO1	ZINC000566359608	315337992	/nfs/dbraw/zinc/33/79/92/315337992.db2.gz	KIPVFPNAQFDQEK-MRXNPFEDSA-N	-1	1	305.418	3.259	10	0		DGAEMM
Cc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3[O-])CCO2)o1	ZINC000154296285	525834810	/nfs/dbraw/zinc/83/48/10/525834810.db2.gz	HECOKPXOHQXUCG-HNNXBMFYSA-N	-1	1	321.760	3.161	10	0		DGAEMM
O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CCCN1c1nccs1	ZINC000163695269	527235198	/nfs/dbraw/zinc/23/51/98/527235198.db2.gz	XFUMAEYWGZAWSR-NSHDSACASA-N	-1	1	323.805	3.110	10	0		DGAEMM
Cc1ccc(-c2n[n-]c(=S)n2CC(=O)N[C@@H](C)C(C)C)cc1	ZINC000017056518	622238290	/nfs/dbraw/zinc/23/82/90/622238290.db2.gz	HXOSPSXPZGDZBN-LBPRGKRZSA-N	-1	1	318.446	3.077	10	0		DGAEMM
CC(=O)Nc1ccc(OC(=O)c2c(C)n[nH]c2C(C)C)cc1	ZINC000136176892	627047554	/nfs/dbraw/zinc/04/75/54/627047554.db2.gz	MNHWDPMFIJAMAH-UHFFFAOYSA-N	-1	1	301.346	3.019	10	0		DGAEMM
O=C(c1cc(Cl)ccc1[O-])N1CC[C@@H](c2nccs2)C1	ZINC000710492935	660932431	/nfs/dbraw/zinc/93/24/31/660932431.db2.gz	KDEHKPCXEMNXHD-SECBINFHSA-N	-1	1	308.790	3.132	10	0		DGAEMM
O=C(Nc1nc(Cl)ccc1[O-])C1(c2ccc(F)cc2)CC1	ZINC000188357614	656635722	/nfs/dbraw/zinc/63/57/22/656635722.db2.gz	GVNQHCHCUSTLOF-UHFFFAOYSA-N	-1	1	306.724	3.250	10	0		DGAEMM
CCCCC[C@@H](C)NC(=O)CSc1nc(C2CC2)cc(=O)[n-]1	ZINC000188146897	661918099	/nfs/dbraw/zinc/91/80/99/661918099.db2.gz	YIDHGZWVRLBVMJ-LLVKDONJSA-N	-1	1	323.462	3.237	10	0		DGAEMM
COc1cccc([C@H]2C[C@H]2C(=O)Nc2nc(Cl)ccc2[O-])c1	ZINC000194577503	662169123	/nfs/dbraw/zinc/16/91/23/662169123.db2.gz	NOBLGAPVUURRTL-VXGBXAGGSA-N	-1	1	318.760	3.191	10	0		DGAEMM
CC[C@@]1(C(=O)[O-])CCCN(Cc2cc(F)c(F)c(F)c2)C1	ZINC000086784724	662219621	/nfs/dbraw/zinc/21/96/21/662219621.db2.gz	NTWAYWTWRFODHW-OAHLLOKOSA-N	-1	1	301.308	3.181	10	0		DGAEMM
CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)[N-]O[C@H]2CCCCO2)cc1	ZINC000246825470	662284691	/nfs/dbraw/zinc/28/46/91/662284691.db2.gz	BNOVYTYPUZAXMK-ULQDDVLXSA-N	-1	1	303.402	3.488	10	0		DGAEMM
CCCCCCNC(=O)c1cc(Br)ccc1[O-]	ZINC000217503110	1202507108	/nfs/dbraw/zinc/50/71/08/1202507108.db2.gz	ZZRIURYPGBYNSV-UHFFFAOYSA-N	-1	1	300.196	3.465	10	0		DGAEMM