smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000163599444	530576404	/nfs/dbraw/zinc/57/64/04/530576404.db2.gz	JPOJZCCCGHKRAR-ZDUSSCGKSA-N	1	1	392.257	1.979	10	0		GDAEMO
O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000171900113	530604772	/nfs/dbraw/zinc/60/47/72/530604772.db2.gz	NDXUEBGWNDFKMW-CQSZACIVSA-N	1	1	386.905	1.108	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1N1CCOCC1	ZINC000177281179	530700264	/nfs/dbraw/zinc/70/02/64/530700264.db2.gz	VMRUTNNLLFSWEN-HFTRVMKXSA-N	1	1	399.329	1.841	10	0		GDAEMO
O=C(Nc1ccccc1I)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177694262	530709597	/nfs/dbraw/zinc/70/95/97/530709597.db2.gz	BMLQEMKFHHUEPC-NSHDSACASA-N	1	1	399.232	1.536	10	0		GDAEMO
CS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1Br	ZINC000179497505	530742671	/nfs/dbraw/zinc/74/26/71/530742671.db2.gz	DAZBKLACXCTHPH-LBPRGKRZSA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Br	ZINC000179497505	530742674	/nfs/dbraw/zinc/74/26/74/530742674.db2.gz	DAZBKLACXCTHPH-LBPRGKRZSA-N	1	1	387.299	1.773	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1	ZINC000178962309	530732397	/nfs/dbraw/zinc/73/23/97/530732397.db2.gz	DDLYOZYAJAOQHV-CQSZACIVSA-N	1	1	388.559	1.427	10	0		GDAEMO
C[C@H]1C[N@H+](C2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)CCO1	ZINC000066562272	530763222	/nfs/dbraw/zinc/76/32/22/530763222.db2.gz	AAVRNGBUHZNESP-ZDUSSCGKSA-N	1	1	397.317	1.968	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccccc2I)cn1	ZINC000181364146	530782369	/nfs/dbraw/zinc/78/23/69/530782369.db2.gz	OIPLXJHKRSGIMM-CQSZACIVSA-N	1	1	396.232	1.811	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2cccc(Br)c2)cn1	ZINC000181391684	530782927	/nfs/dbraw/zinc/78/29/27/530782927.db2.gz	IJNYUBMEQHKHKZ-OAHLLOKOSA-N	1	1	379.258	1.735	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1C	ZINC000182016942	530793325	/nfs/dbraw/zinc/79/33/25/530793325.db2.gz	RDMMKRWRIYGKPY-WDEREUQCSA-N	1	1	387.278	1.067	10	0		GDAEMO
O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000185981483	530849570	/nfs/dbraw/zinc/84/95/70/530849570.db2.gz	MDABJUUEPPZGAY-CYBMUJFWSA-N	1	1	387.299	1.853	10	0		GDAEMO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3cc(Br)cn3C)CC2)cn1	ZINC000112559519	530882796	/nfs/dbraw/zinc/88/27/96/530882796.db2.gz	FYYRZYLLJMUPJR-UHFFFAOYSA-N	1	1	380.290	1.869	10	0		GDAEMO
Cn1cc(C[N@H+]2CCCN(C(=O)c3cc(Br)cn3C)CC2)cn1	ZINC000112559519	530882798	/nfs/dbraw/zinc/88/27/98/530882798.db2.gz	FYYRZYLLJMUPJR-UHFFFAOYSA-N	1	1	380.290	1.869	10	0		GDAEMO
CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190506368	530931804	/nfs/dbraw/zinc/93/18/04/530931804.db2.gz	HUFRMRKVLWTRTG-MRXNPFEDSA-N	1	1	376.563	1.939	10	0		GDAEMO
CCC[C@H](C)CS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372924	530912900	/nfs/dbraw/zinc/91/29/00/530912900.db2.gz	PHGGBVTYBNJKFI-ZWKOTPCHSA-N	1	1	375.579	1.479	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1	ZINC000189469898	530913797	/nfs/dbraw/zinc/91/37/97/530913797.db2.gz	LABDAYRGEDMRBV-AWEZNQCLSA-N	1	1	384.274	1.303	10	0		GDAEMO
COCC[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@H]1C	ZINC000119160167	530922816	/nfs/dbraw/zinc/92/28/16/530922816.db2.gz	UJPNGUQZYLCQIY-ABAIWWIYSA-N	1	1	388.281	1.767	10	0		GDAEMO
COCC[N@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@H]1C	ZINC000119160167	530922820	/nfs/dbraw/zinc/92/28/20/530922820.db2.gz	UJPNGUQZYLCQIY-ABAIWWIYSA-N	1	1	388.281	1.767	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000190357196	530928919	/nfs/dbraw/zinc/92/89/19/530928919.db2.gz	BHGJHRYPPULNPW-UONOGXRCSA-N	1	1	381.274	1.868	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ncc1Br	ZINC000193471563	530987383	/nfs/dbraw/zinc/98/73/83/530987383.db2.gz	VEZOLEYRYVLMBD-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ncc1Br	ZINC000193471563	530987386	/nfs/dbraw/zinc/98/73/86/530987386.db2.gz	VEZOLEYRYVLMBD-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000125711258	531010351	/nfs/dbraw/zinc/01/03/51/531010351.db2.gz	WSYPIXVIJSNQEY-HOTGVXAUSA-N	1	1	376.906	1.231	10	0		GDAEMO
Cc1csc([C@@H]2CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)n1	ZINC000195338050	531021583	/nfs/dbraw/zinc/02/15/83/531021583.db2.gz	JCIFVDCFIXKETN-CQSZACIVSA-N	1	1	388.559	1.029	10	0		GDAEMO
Cc1csc([C@@H]2CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)n1	ZINC000195338050	531021585	/nfs/dbraw/zinc/02/15/85/531021585.db2.gz	JCIFVDCFIXKETN-CQSZACIVSA-N	1	1	388.559	1.029	10	0		GDAEMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1	ZINC000245885421	531061228	/nfs/dbraw/zinc/06/12/28/531061228.db2.gz	OSMSWWKNBMCFEL-HZMBPMFUSA-N	1	1	389.880	1.683	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000245658119	531060116	/nfs/dbraw/zinc/06/01/16/531060116.db2.gz	MCGSJJMWBLALSS-QWRGUYRKSA-N	1	1	389.237	1.213	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000245658119	531060118	/nfs/dbraw/zinc/06/01/18/531060118.db2.gz	MCGSJJMWBLALSS-QWRGUYRKSA-N	1	1	389.237	1.213	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247733240	531076160	/nfs/dbraw/zinc/07/61/60/531076160.db2.gz	MJNNATLJUXFKBY-NVXWUHKLSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247733240	531076163	/nfs/dbraw/zinc/07/61/63/531076163.db2.gz	MJNNATLJUXFKBY-NVXWUHKLSA-N	1	1	396.285	1.786	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C[C@H](C)O	ZINC000248687239	531081494	/nfs/dbraw/zinc/08/14/94/531081494.db2.gz	AKQYIHUUUARSIT-WCQYABFASA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1C[C@H](C)O	ZINC000248687239	531081498	/nfs/dbraw/zinc/08/14/98/531081498.db2.gz	AKQYIHUUUARSIT-WCQYABFASA-N	1	1	399.289	1.086	10	0		GDAEMO
O=C1[C@@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000248846349	531082759	/nfs/dbraw/zinc/08/27/59/531082759.db2.gz	AQDUQUKFKKFOKE-SJORKVTESA-N	1	1	394.313	1.961	10	0		GDAEMO
O=C1[C@@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000248846349	531082762	/nfs/dbraw/zinc/08/27/62/531082762.db2.gz	AQDUQUKFKKFOKE-SJORKVTESA-N	1	1	394.313	1.961	10	0		GDAEMO
CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O	ZINC000246668730	531069087	/nfs/dbraw/zinc/06/90/87/531069087.db2.gz	GFFHUJOBIAZMMM-TZMCWYRMSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O	ZINC000246668730	531069090	/nfs/dbraw/zinc/06/90/90/531069090.db2.gz	GFFHUJOBIAZMMM-TZMCWYRMSA-N	1	1	394.331	1.944	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C	ZINC000247111428	531071912	/nfs/dbraw/zinc/07/19/12/531071912.db2.gz	RCBXEDDHFRCIBP-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C	ZINC000247111428	531071915	/nfs/dbraw/zinc/07/19/15/531071915.db2.gz	RCBXEDDHFRCIBP-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ncccc2Br)CC1	ZINC000408315334	531232859	/nfs/dbraw/zinc/23/28/59/531232859.db2.gz	ZXOBDOCOJVTTHB-ZDUSSCGKSA-N	1	1	381.274	1.223	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1	ZINC000408460801	531243656	/nfs/dbraw/zinc/24/36/56/531243656.db2.gz	RGXGEBZWLITORQ-YPMHNXCESA-N	1	1	380.388	1.505	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1	ZINC000408460801	531243663	/nfs/dbraw/zinc/24/36/63/531243663.db2.gz	RGXGEBZWLITORQ-YPMHNXCESA-N	1	1	380.388	1.505	10	0		GDAEMO
Cn1ncc(NCc2cccc(NC(=O)C[NH+](C)C)c2)c(Br)c1=O	ZINC000301256690	532030260	/nfs/dbraw/zinc/03/02/60/532030260.db2.gz	UEJIMZXUXMEPKZ-UHFFFAOYSA-N	1	1	394.273	1.655	10	0		GDAEMO
Cc1nc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)sc1S(N)(=O)=O	ZINC000379671598	532295035	/nfs/dbraw/zinc/29/50/35/532295035.db2.gz	LPHRWAXYHXWELU-HNNXBMFYSA-N	1	1	380.539	2.566	10	0		GDAEMO
Cc1ccc2nc(CN3CC[NH+](CCO)CC3)nc(N3CCSCC3)c2c1	ZINC000019837856	204686807	/nfs/dbraw/zinc/68/68/07/204686807.db2.gz	CRRFOCSLQJEOFD-UHFFFAOYSA-N	1	1	387.553	1.601	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CC[N@H+]1C[C@H](C)O	ZINC000248458180	645099806	/nfs/dbraw/zinc/09/98/06/645099806.db2.gz	UNBHDNRBEOFLGJ-RYUDHWBXSA-N	1	1	386.290	1.770	10	0		GDAEMO
CCc1csc([C@@H]2CCC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)n1	ZINC000173603693	530633365	/nfs/dbraw/zinc/63/33/65/530633365.db2.gz	LAQSBLFIPLKNBA-CYBMUJFWSA-N	1	1	383.543	1.597	10	0		GDAEMO
CCc1csc([C@@H]2CCC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)n1	ZINC000173603693	530633368	/nfs/dbraw/zinc/63/33/68/530633368.db2.gz	LAQSBLFIPLKNBA-CYBMUJFWSA-N	1	1	383.543	1.597	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000177606225	530706013	/nfs/dbraw/zinc/70/60/13/530706013.db2.gz	FUOCHCFZPMGJAR-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000177606225	530706015	/nfs/dbraw/zinc/70/60/15/530706015.db2.gz	FUOCHCFZPMGJAR-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)ccc1Cl	ZINC000061605451	530741729	/nfs/dbraw/zinc/74/17/29/530741729.db2.gz	ORFYBVQWXNYTIH-UHFFFAOYSA-N	1	1	385.917	1.901	10	0		GDAEMO
C[C@@H]1C[N@H+](C2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)CCO1	ZINC000066562270	530763413	/nfs/dbraw/zinc/76/34/13/530763413.db2.gz	AAVRNGBUHZNESP-CYBMUJFWSA-N	1	1	397.317	1.968	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc3c(c(Br)c2)OCO3)cn1	ZINC000181337609	530781416	/nfs/dbraw/zinc/78/14/16/530781416.db2.gz	RIDOFPZADRGMAN-CYBMUJFWSA-N	1	1	393.241	1.698	10	0		GDAEMO
OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CN1CCOCC1	ZINC000103228762	530833288	/nfs/dbraw/zinc/83/32/88/530833288.db2.gz	LXRIQEQVOGFYMD-HNNXBMFYSA-N	1	1	391.281	1.076	10	0		GDAEMO
OCC[N@H+](Cc1cc(Br)ccc1F)C[C@@H](O)CN1CCOCC1	ZINC000103228762	530833289	/nfs/dbraw/zinc/83/32/89/530833289.db2.gz	LXRIQEQVOGFYMD-HNNXBMFYSA-N	1	1	391.281	1.076	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C	ZINC000186538287	530857910	/nfs/dbraw/zinc/85/79/10/530857910.db2.gz	XHGWVVZKFSPTBA-VXGBXAGGSA-N	1	1	386.290	1.751	10	0		GDAEMO
O=C1CCCN1C[C@@H](O)C[N@@H+](CCO)Cc1cc(Br)ccc1F	ZINC000111689858	530876424	/nfs/dbraw/zinc/87/64/24/530876424.db2.gz	NMPWINQSUBPWLU-AWEZNQCLSA-N	1	1	389.265	1.366	10	0		GDAEMO
O=C1CCCN1C[C@@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F	ZINC000111689858	530876430	/nfs/dbraw/zinc/87/64/30/530876430.db2.gz	NMPWINQSUBPWLU-AWEZNQCLSA-N	1	1	389.265	1.366	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC	ZINC000117526888	530913565	/nfs/dbraw/zinc/91/35/65/530913565.db2.gz	QWCSCIBIKSMGBD-HNNXBMFYSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1CCOC	ZINC000117526888	530913567	/nfs/dbraw/zinc/91/35/67/530913567.db2.gz	QWCSCIBIKSMGBD-HNNXBMFYSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000189469873	530913676	/nfs/dbraw/zinc/91/36/76/530913676.db2.gz	YNVCQHTUQVVTLR-CQSZACIVSA-N	1	1	384.274	1.303	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000192195075	530964273	/nfs/dbraw/zinc/96/42/73/530964273.db2.gz	YDFOFXKJWGGVHO-KGLIPLIRSA-N	1	1	393.285	1.548	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ncc1Br	ZINC000193458384	530987258	/nfs/dbraw/zinc/98/72/58/530987258.db2.gz	UWDRMOWIBDEHAO-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ncc1Br	ZINC000193458384	530987261	/nfs/dbraw/zinc/98/72/61/530987261.db2.gz	UWDRMOWIBDEHAO-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
O=C(COc1ccc(I)cc1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195310872	531020766	/nfs/dbraw/zinc/02/07/66/531020766.db2.gz	YXYROQHFPPITIM-CYBMUJFWSA-N	1	1	386.233	1.977	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1	ZINC000194120432	531000155	/nfs/dbraw/zinc/00/01/55/531000155.db2.gz	XYUZONZCHDNYMR-LBPRGKRZSA-N	1	1	399.289	1.006	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)cc1	ZINC000248574285	531079516	/nfs/dbraw/zinc/07/95/16/531079516.db2.gz	OCMSIHLAVRMXRH-DOMZBBRYSA-N	1	1	380.286	1.874	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000246824217	531070260	/nfs/dbraw/zinc/07/02/60/531070260.db2.gz	STCJBAIDJFQVQF-UWVGGRQHSA-N	1	1	377.226	1.146	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000246824217	531070263	/nfs/dbraw/zinc/07/02/63/531070263.db2.gz	STCJBAIDJFQVQF-UWVGGRQHSA-N	1	1	377.226	1.146	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000246960090	531071339	/nfs/dbraw/zinc/07/13/39/531071339.db2.gz	INEMOLYAUWFRQM-RYUDHWBXSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000246960090	531071341	/nfs/dbraw/zinc/07/13/41/531071341.db2.gz	INEMOLYAUWFRQM-RYUDHWBXSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(Cc3nnc(-c4ccc(Br)o4)o3)[C@@H]2C1	ZINC000408037273	531212850	/nfs/dbraw/zinc/21/28/50/531212850.db2.gz	BBOUQNQKUAIZST-GHMZBOCLSA-N	1	1	383.246	1.997	10	0		GDAEMO
C[NH+](C)[C@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1	ZINC000408232035	531227488	/nfs/dbraw/zinc/22/74/88/531227488.db2.gz	LIEMEOKVMJUZJA-JTQLQIEISA-N	1	1	384.221	1.944	10	0		GDAEMO
CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2I)C1	ZINC000611000478	531521273	/nfs/dbraw/zinc/52/12/73/531521273.db2.gz	WUHYXISRYGJTNJ-SNVBAGLBSA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[N@H+]1CCO[C@H](CNC(=O)c2cccc(F)c2I)C1	ZINC000611000478	531521277	/nfs/dbraw/zinc/52/12/77/531521277.db2.gz	WUHYXISRYGJTNJ-SNVBAGLBSA-N	1	1	392.212	1.881	10	0		GDAEMO
C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1	ZINC000035442381	204219611	/nfs/dbraw/zinc/21/96/11/204219611.db2.gz	LJDZQYXAKKSQJF-ZVDOUQERSA-N	1	1	384.524	1.462	10	0	biogenic	GDAEMO
CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1	ZINC000035442381	204219613	/nfs/dbraw/zinc/21/96/13/204219613.db2.gz	LJDZQYXAKKSQJF-ZVDOUQERSA-N	1	1	384.524	1.462	10	0	biogenic	GDAEMO
CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCCC1	ZINC000035442381	204219615	/nfs/dbraw/zinc/21/96/15/204219615.db2.gz	LJDZQYXAKKSQJF-ZVDOUQERSA-N	1	1	384.524	1.462	10	0	biogenic	GDAEMO
COC(=O)[C@]1(C)C[C@H](C(=O)NCCNC(C)=O)[C@H](c2ccccc2C)[N@H+]1C	ZINC000039442985	205043547	/nfs/dbraw/zinc/04/35/47/205043547.db2.gz	ZRCGZBBHBNLHJM-ZWOKBUDYSA-N	1	1	375.469	1.172	10	0		GDAEMO
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)C[N@H+]1CCCCCOCC12CC3CC(CC(C3)C1)C2	ZINC000049054534	205124838	/nfs/dbraw/zinc/12/48/38/205124838.db2.gz	XVYLNHVEAOOEGI-CURLCGPBSA-N	1	1	397.556	1.149	10	0	in-vitro	GDAEMO
CC[C@@H]1CN(Cn2nnn(Cc3cccs3)c2=S)CC[N@H+]1CCOC	ZINC000117324657	644650787	/nfs/dbraw/zinc/65/07/87/644650787.db2.gz	PKOGHQLHHBGCTF-CQSZACIVSA-N	1	1	382.559	1.919	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C	ZINC000246935197	645097084	/nfs/dbraw/zinc/09/70/84/645097084.db2.gz	RMDFIGWCAYYELQ-OLZOCXBDSA-N	1	1	399.285	1.554	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C	ZINC000246935197	645097088	/nfs/dbraw/zinc/09/70/88/645097088.db2.gz	RMDFIGWCAYYELQ-OLZOCXBDSA-N	1	1	399.285	1.554	10	0		GDAEMO
O=S1(=O)CC[C@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@H]21	ZINC000329179402	645301178	/nfs/dbraw/zinc/30/11/78/645301178.db2.gz	NJXRTSIYORSOAW-CORIIIEPSA-N	1	1	390.299	1.308	10	0		GDAEMO
O=S1(=O)CC[C@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)C[C@H]21	ZINC000329179402	645301185	/nfs/dbraw/zinc/30/11/85/645301185.db2.gz	NJXRTSIYORSOAW-CORIIIEPSA-N	1	1	390.299	1.308	10	0		GDAEMO
CCc1nc2n(n1)C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CC2	ZINC000162113577	530565785	/nfs/dbraw/zinc/56/57/85/530565785.db2.gz	SAFRYAYXAYCVRA-DOMZBBRYSA-N	1	1	378.274	1.734	10	0		GDAEMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)COc1cccc(Br)c1	ZINC000172074754	530608108	/nfs/dbraw/zinc/60/81/08/530608108.db2.gz	CTIKFPKOPHETFV-DYEKYZERSA-N	1	1	394.331	1.942	10	0		GDAEMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1cccc(Br)c1	ZINC000172074754	530608111	/nfs/dbraw/zinc/60/81/11/530608111.db2.gz	CTIKFPKOPHETFV-DYEKYZERSA-N	1	1	394.331	1.942	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1	ZINC000173585261	530633484	/nfs/dbraw/zinc/63/34/84/530633484.db2.gz	ICGHXZKSACOEKF-HNNXBMFYSA-N	1	1	385.302	1.915	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000178538797	530722298	/nfs/dbraw/zinc/72/22/98/530722298.db2.gz	CNRSJGVCDKIQKV-LBPRGKRZSA-N	1	1	380.246	1.602	10	0		GDAEMO
CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl	ZINC000179909678	530753245	/nfs/dbraw/zinc/75/32/45/530753245.db2.gz	LFFMJHYDUZDKHS-VIFPVBQESA-N	1	1	388.964	1.814	10	0		GDAEMO
CC(C)c1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1Br	ZINC000181321320	530781655	/nfs/dbraw/zinc/78/16/55/530781655.db2.gz	FTNKPGLIEQXLAP-LLVKDONJSA-N	1	1	381.278	1.816	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)cnc1Br	ZINC000182732455	530803885	/nfs/dbraw/zinc/80/38/85/530803885.db2.gz	RYLXEKNZCSGLHK-UHFFFAOYSA-N	1	1	381.274	1.788	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1C	ZINC000182035010	530793201	/nfs/dbraw/zinc/79/32/01/530793201.db2.gz	JHXJAFJHZATVBM-WDEREUQCSA-N	1	1	387.278	1.067	10	0		GDAEMO
O=C(C[N@@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(Br)cn1	ZINC000106173729	530846621	/nfs/dbraw/zinc/84/66/21/530846621.db2.gz	TYNCUUQQYNTHKQ-GFCCVEGCSA-N	1	1	379.262	1.786	10	0		GDAEMO
O=C(C[N@H+]1CCC[C@@H](Cn2cncn2)C1)Nc1ccc(Br)cn1	ZINC000106173729	530846626	/nfs/dbraw/zinc/84/66/26/530846626.db2.gz	TYNCUUQQYNTHKQ-GFCCVEGCSA-N	1	1	379.262	1.786	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1	ZINC000112473503	530881876	/nfs/dbraw/zinc/88/18/76/530881876.db2.gz	NRYZDTCDSHJOAA-AWEZNQCLSA-N	1	1	380.286	1.939	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000113229909	530887839	/nfs/dbraw/zinc/88/78/39/530887839.db2.gz	OUIKWLNUDYMLJT-WDEREUQCSA-N	1	1	377.919	1.375	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1	ZINC000190513410	530931700	/nfs/dbraw/zinc/93/17/00/530931700.db2.gz	OKHXYTAUOGYICJ-HNNXBMFYSA-N	1	1	387.571	1.803	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1	ZINC000190513410	530931703	/nfs/dbraw/zinc/93/17/03/530931703.db2.gz	OKHXYTAUOGYICJ-HNNXBMFYSA-N	1	1	387.571	1.803	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC	ZINC000117526233	530913407	/nfs/dbraw/zinc/91/34/07/530913407.db2.gz	GQTYBVRIPWJCDC-CYBMUJFWSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1CCOC	ZINC000117526233	530913411	/nfs/dbraw/zinc/91/34/11/530913411.db2.gz	GQTYBVRIPWJCDC-CYBMUJFWSA-N	1	1	398.301	1.957	10	0		GDAEMO
O=S(=O)(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000121384646	530955862	/nfs/dbraw/zinc/95/58/62/530955862.db2.gz	NZVJRSOFYDIIHP-CABCVRRESA-N	1	1	381.885	1.649	10	0		GDAEMO
O=S(=O)(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000121384646	530955863	/nfs/dbraw/zinc/95/58/63/530955863.db2.gz	NZVJRSOFYDIIHP-CABCVRRESA-N	1	1	381.885	1.649	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1CCOC	ZINC000193278337	530982961	/nfs/dbraw/zinc/98/29/61/530982961.db2.gz	IUJRBNHFUSBGMB-CYBMUJFWSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1CCOC	ZINC000193278337	530982963	/nfs/dbraw/zinc/98/29/63/530982963.db2.gz	IUJRBNHFUSBGMB-CYBMUJFWSA-N	1	1	399.289	1.352	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ncc1Br	ZINC000193536696	530988448	/nfs/dbraw/zinc/98/84/48/530988448.db2.gz	UCRGSLWGSDNWEW-AAEUAGOBSA-N	1	1	383.290	1.936	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000246123643	531063569	/nfs/dbraw/zinc/06/35/69/531063569.db2.gz	QDRWPNSAMDULSX-RYUDHWBXSA-N	1	1	379.404	1.880	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000248748193	531081885	/nfs/dbraw/zinc/08/18/85/531081885.db2.gz	STNPOHKAGHLORN-OLZOCXBDSA-N	1	1	381.274	1.868	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000247208610	531072502	/nfs/dbraw/zinc/07/25/02/531072502.db2.gz	XRRBOKBFMDODJX-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000247208610	531072504	/nfs/dbraw/zinc/07/25/04/531072504.db2.gz	XRRBOKBFMDODJX-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1CCOC	ZINC000154139728	531178662	/nfs/dbraw/zinc/17/86/62/531178662.db2.gz	LSCQQNVPCSAUGW-CQSZACIVSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1CCOC	ZINC000154139728	531178666	/nfs/dbraw/zinc/17/86/66/531178666.db2.gz	LSCQQNVPCSAUGW-CQSZACIVSA-N	1	1	399.289	1.352	10	0		GDAEMO
CN(CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)C(=O)c1ccc(Br)o1	ZINC000408145902	531222161	/nfs/dbraw/zinc/22/21/61/531222161.db2.gz	VQWHGCPXFSWGPW-VXGBXAGGSA-N	1	1	384.274	1.667	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)cc4nc[nH]c43)[C@@H]2C1	ZINC000284999553	532016644	/nfs/dbraw/zinc/01/66/44/532016644.db2.gz	NCYMGZZOHYTDGU-KGLIPLIRSA-N	1	1	379.258	1.871	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1OC	ZINC000285200460	532047349	/nfs/dbraw/zinc/04/73/49/532047349.db2.gz	VUTIPSBDUXUJLT-STQMWFEESA-N	1	1	390.889	1.451	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1OC	ZINC000285200460	532047355	/nfs/dbraw/zinc/04/73/55/532047355.db2.gz	VUTIPSBDUXUJLT-STQMWFEESA-N	1	1	390.889	1.451	10	0		GDAEMO
CC[NH+]1CCN(C(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)CC1	ZINC000012023163	204367783	/nfs/dbraw/zinc/36/77/83/204367783.db2.gz	PZRFROXLWXGWQB-UHFFFAOYSA-N	1	1	385.873	1.184	10	0		GDAEMO
COc1ccc(OC2CCN(C(=O)C3CC[NH+](CC(N)=O)CC3)CC2)cc1	ZINC000077524024	205365481	/nfs/dbraw/zinc/36/54/81/205365481.db2.gz	ZCCNGEWWQUFEQU-UHFFFAOYSA-N	1	1	375.469	1.262	10	0		GDAEMO
CCn1c2ccccc2nc(N2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)c1=O	ZINC000064926616	536006224	/nfs/dbraw/zinc/00/62/24/536006224.db2.gz	KCBMLVLVPXSUPN-MRXNPFEDSA-N	1	1	383.496	1.407	10	0		GDAEMO
NC(=O)C[NH+]1CCC(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)CC1	ZINC000092066024	571043447	/nfs/dbraw/zinc/04/34/47/571043447.db2.gz	NQNQVZABFQEITE-UHFFFAOYSA-N	1	1	376.844	1.809	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc(F)c1F	ZINC000155349438	644811272	/nfs/dbraw/zinc/81/12/72/644811272.db2.gz	MKKSOHWCCHYDEU-YGRLFVJLSA-N	1	1	376.425	1.758	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(F)c1F	ZINC000155349543	644811382	/nfs/dbraw/zinc/81/13/82/644811382.db2.gz	MKKSOHWCCHYDEU-HZMBPMFUSA-N	1	1	376.425	1.758	10	0		GDAEMO
CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CC2	ZINC000162113963	530566128	/nfs/dbraw/zinc/56/61/28/530566128.db2.gz	SAFRYAYXAYCVRA-SWLSCSKDSA-N	1	1	378.274	1.734	10	0		GDAEMO
C[C@@H]1C[N@H+](C2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)CCO1	ZINC000173625916	530633744	/nfs/dbraw/zinc/63/37/44/530633744.db2.gz	WRAAHCWYTYSTDJ-LLVKDONJSA-N	1	1	384.274	1.463	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(I)c2)C[C@H]1C	ZINC000174294406	530645851	/nfs/dbraw/zinc/64/58/51/530645851.db2.gz	ISKOGOLZGRCJTI-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(I)c2)C[C@H]1C	ZINC000174294406	530645855	/nfs/dbraw/zinc/64/58/55/530645855.db2.gz	ISKOGOLZGRCJTI-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000177219389	530699018	/nfs/dbraw/zinc/69/90/18/530699018.db2.gz	KKLBOUAWOQSKRU-JSGCOSHPSA-N	1	1	382.511	1.611	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Br	ZINC000177610111	530706885	/nfs/dbraw/zinc/70/68/85/530706885.db2.gz	RZPWVNZSNHCGRZ-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1Br	ZINC000177610111	530706888	/nfs/dbraw/zinc/70/68/88/530706888.db2.gz	RZPWVNZSNHCGRZ-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N(C)Cc1ccccc1Br	ZINC000103285949	530834151	/nfs/dbraw/zinc/83/41/51/530834151.db2.gz	VNZNOWGWHDKWBA-GXTWGEPZSA-N	1	1	382.302	1.993	10	0		GDAEMO
CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CC2	ZINC000112551271	530882926	/nfs/dbraw/zinc/88/29/26/530882926.db2.gz	YVHRXTURELCCCJ-WFASDCNBSA-N	1	1	378.274	1.734	10	0		GDAEMO
O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000191230469	530945218	/nfs/dbraw/zinc/94/52/18/530945218.db2.gz	KDJAPDOJHUTLKE-SNVBAGLBSA-N	1	1	388.212	1.972	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000245911527	531061668	/nfs/dbraw/zinc/06/16/68/531061668.db2.gz	DNDDENOTAQNEKS-OCCSQVGLSA-N	1	1	385.917	1.899	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1	ZINC000246226885	531065390	/nfs/dbraw/zinc/06/53/90/531065390.db2.gz	QPLIDJPPLFJBJY-UONOGXRCSA-N	1	1	388.559	1.397	10	0		GDAEMO
CS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000246361715	531066907	/nfs/dbraw/zinc/06/69/07/531066907.db2.gz	GOIHYNCRGDGCJO-HNNXBMFYSA-N	1	1	380.432	1.576	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1N1CCOCC1	ZINC000246570835	531068097	/nfs/dbraw/zinc/06/80/97/531068097.db2.gz	VMRUTNNLLFSWEN-KYJSFNMBSA-N	1	1	399.329	1.841	10	0		GDAEMO
CNS(=O)(=O)CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245658646	531059575	/nfs/dbraw/zinc/05/95/75/531059575.db2.gz	FGDOUTPVIMMUNG-ABAIWWIYSA-N	1	1	377.869	1.137	10	0		GDAEMO
CN(CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O	ZINC000245685043	531059693	/nfs/dbraw/zinc/05/96/93/531059693.db2.gz	KQRJJFPSOIXPER-BLLLJJGKSA-N	1	1	391.896	1.480	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C	ZINC000154968460	531192994	/nfs/dbraw/zinc/19/29/94/531192994.db2.gz	LYXDSJYBGKHYPT-ZDUSSCGKSA-N	1	1	398.301	1.358	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@@H]1C	ZINC000154968460	531192996	/nfs/dbraw/zinc/19/29/96/531192996.db2.gz	LYXDSJYBGKHYPT-ZDUSSCGKSA-N	1	1	398.301	1.358	10	0		GDAEMO
C[N@H+]1CCO[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)C[C@H]21	ZINC000284902150	532004639	/nfs/dbraw/zinc/00/46/39/532004639.db2.gz	HPGSSHWMGQTSNG-KGLIPLIRSA-N	1	1	379.404	1.262	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(Br)cc4nc[nH]c43)[C@H]2C1	ZINC000284999550	532016179	/nfs/dbraw/zinc/01/61/79/532016179.db2.gz	NCYMGZZOHYTDGU-KBPBESRZSA-N	1	1	379.258	1.871	10	0		GDAEMO
COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COC(C)C)cc1OC	ZINC000036095566	205005800	/nfs/dbraw/zinc/00/58/00/205005800.db2.gz	NGBBZKMSYVABAS-LJQANCHMSA-N	1	1	396.528	1.624	10	0		GDAEMO
CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21	ZINC000082039421	205385122	/nfs/dbraw/zinc/38/51/22/205385122.db2.gz	WVAAGHGWNMZOON-IBGZPJMESA-N	1	1	383.492	1.665	10	0		GDAEMO
CC(C)(CO)CNC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21	ZINC000082039421	205385123	/nfs/dbraw/zinc/38/51/23/205385123.db2.gz	WVAAGHGWNMZOON-IBGZPJMESA-N	1	1	383.492	1.665	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CC[N@H+](C)C[C@H]32)n1	ZINC000893767679	658444938	/nfs/dbraw/zinc/44/49/38/658444938.db2.gz	GSUHDRXFNFDSCV-NEPJUHHUSA-N	1	1	385.262	1.325	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1	ZINC000893767679	658444945	/nfs/dbraw/zinc/44/49/45/658444945.db2.gz	GSUHDRXFNFDSCV-NEPJUHHUSA-N	1	1	385.262	1.325	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000173455559	530630552	/nfs/dbraw/zinc/63/05/52/530630552.db2.gz	CEZDEYXDJZZXFT-SWLSCSKDSA-N	1	1	388.281	1.503	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000173840715	530638322	/nfs/dbraw/zinc/63/83/22/530638322.db2.gz	XJCXZHGCWGYPOC-CQSZACIVSA-N	1	1	383.495	1.448	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1C[C@@H](C)O	ZINC000174638697	530651311	/nfs/dbraw/zinc/65/13/11/530651311.db2.gz	TWTAKQLVNGYUKD-PWSUYJOCSA-N	1	1	391.253	1.537	10	0		GDAEMO
CCc1csc([C@@H]2CCC[N@H+](CCNS(=O)(=O)CCCOC)C2)n1	ZINC000175147512	530659258	/nfs/dbraw/zinc/65/92/58/530659258.db2.gz	HVWHHMPLMMPWFX-CQSZACIVSA-N	1	1	375.560	1.841	10	0		GDAEMO
CCc1csc([C@@H]2CCC[N@@H+](CCNS(=O)(=O)CCCOC)C2)n1	ZINC000175147512	530659263	/nfs/dbraw/zinc/65/92/63/530659263.db2.gz	HVWHHMPLMMPWFX-CQSZACIVSA-N	1	1	375.560	1.841	10	0		GDAEMO
COc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000175279943	530662597	/nfs/dbraw/zinc/66/25/97/530662597.db2.gz	CMFVUSYEFXJHGD-LLVKDONJSA-N	1	1	375.288	1.926	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000175430453	530665685	/nfs/dbraw/zinc/66/56/85/530665685.db2.gz	XNPTVPZYPBKSQX-LBPRGKRZSA-N	1	1	395.257	1.968	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1	ZINC000177206269	530699212	/nfs/dbraw/zinc/69/92/12/530699212.db2.gz	AGTBLDNCLLIHNN-CQSZACIVSA-N	1	1	382.511	1.613	10	0		GDAEMO
O=C(c1ccc2ncc(I)n2c1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000176520493	530684593	/nfs/dbraw/zinc/68/45/93/530684593.db2.gz	QUGWTNYIQZKTNI-LBPRGKRZSA-N	1	1	396.232	1.859	10	0		GDAEMO
C[C@@H]1C[N@H+](CC2CCN(S(=O)(=O)c3ncn(C)c3Cl)CC2)C[C@H](C)O1	ZINC000102661022	530829060	/nfs/dbraw/zinc/82/90/60/530829060.db2.gz	XPXVSPZVIASZRZ-BETUJISGSA-N	1	1	390.937	1.583	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(I)c[nH]2)CC1	ZINC000115373202	530900030	/nfs/dbraw/zinc/90/00/30/530900030.db2.gz	GXWKEVPMOBFUOY-LLVKDONJSA-N	1	1	377.226	1.148	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000113230858	530887711	/nfs/dbraw/zinc/88/77/11/530887711.db2.gz	STCOUAMASOCGPB-DZGCQCFKSA-N	1	1	385.917	1.704	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000193471792	530987099	/nfs/dbraw/zinc/98/70/99/530987099.db2.gz	AKQYIHUUUARSIT-YPMHNXCESA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1C[C@@H](C)O	ZINC000193471792	530987101	/nfs/dbraw/zinc/98/71/01/530987101.db2.gz	AKQYIHUUUARSIT-YPMHNXCESA-N	1	1	399.289	1.086	10	0		GDAEMO
CN(CC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(=O)c1ccc(Br)s1	ZINC000195335908	531021560	/nfs/dbraw/zinc/02/15/60/531021560.db2.gz	JDMWDMXNFQCXHC-NSHDSACASA-N	1	1	386.315	1.889	10	0		GDAEMO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC000249035258	531084226	/nfs/dbraw/zinc/08/42/26/531084226.db2.gz	MNNDNQKHKNHQOH-WMLDXEAASA-N	1	1	390.933	1.746	10	0		GDAEMO
COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC000249035258	531084228	/nfs/dbraw/zinc/08/42/28/531084228.db2.gz	MNNDNQKHKNHQOH-WMLDXEAASA-N	1	1	390.933	1.746	10	0		GDAEMO
C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249353455	531086358	/nfs/dbraw/zinc/08/63/58/531086358.db2.gz	QGSOFQPAZIGIPV-WQAKAFBOSA-N	1	1	390.221	1.046	10	0		GDAEMO
C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249353455	531086360	/nfs/dbraw/zinc/08/63/60/531086360.db2.gz	QGSOFQPAZIGIPV-WQAKAFBOSA-N	1	1	390.221	1.046	10	0		GDAEMO
C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1	ZINC000252696043	531091487	/nfs/dbraw/zinc/09/14/87/531091487.db2.gz	LRWFHNGFCMWTBY-DLBZAZTESA-N	1	1	396.329	1.721	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C	ZINC000246701655	531069837	/nfs/dbraw/zinc/06/98/37/531069837.db2.gz	KCLYYEUMOOCPKL-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C	ZINC000246701655	531069839	/nfs/dbraw/zinc/06/98/39/531069839.db2.gz	KCLYYEUMOOCPKL-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](NC(N)=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1	ZINC000136841983	531116255	/nfs/dbraw/zinc/11/62/55/531116255.db2.gz	KQVUIPPBIXZXIR-LLVKDONJSA-N	1	1	383.290	1.587	10	0		GDAEMO
CN(CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)C(=O)c1ccc(Br)o1	ZINC000408021601	531212130	/nfs/dbraw/zinc/21/21/30/531212130.db2.gz	IQQHBGYLHNYMFY-GFCCVEGCSA-N	1	1	384.274	1.811	10	0		GDAEMO
CN1CC[NH+](CCCNC(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1	ZINC000065274373	205226215	/nfs/dbraw/zinc/22/62/15/205226215.db2.gz	GVPIGQBPTAZJPY-UHFFFAOYSA-N	1	1	378.480	1.764	10	0		GDAEMO
CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CCc1ccccc1	ZINC000015065008	570723385	/nfs/dbraw/zinc/72/33/85/570723385.db2.gz	OMAAHBNXYDOWTQ-IBGZPJMESA-N	1	1	383.496	1.165	10	0		GDAEMO
CCN(CCn1cccn1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CCc1ccccc1	ZINC000015065008	570723386	/nfs/dbraw/zinc/72/33/86/570723386.db2.gz	OMAAHBNXYDOWTQ-IBGZPJMESA-N	1	1	383.496	1.165	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(Cn3cc(Br)cn3)CC2)C1	ZINC000117325629	644650627	/nfs/dbraw/zinc/65/06/27/644650627.db2.gz	AGSRURNXLXWYJU-INIZCTEOSA-N	1	1	386.338	1.330	10	0		GDAEMO
CC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O	ZINC000171836014	530604110	/nfs/dbraw/zinc/60/41/10/530604110.db2.gz	GFFHUJOBIAZMMM-JSGCOSHPSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O	ZINC000171836014	530604111	/nfs/dbraw/zinc/60/41/11/530604111.db2.gz	GFFHUJOBIAZMMM-JSGCOSHPSA-N	1	1	394.331	1.944	10	0		GDAEMO
C[NH+](C)C[C@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1	ZINC000175653841	530668279	/nfs/dbraw/zinc/66/82/79/530668279.db2.gz	SNPLYRXYWCCTMU-AWEZNQCLSA-N	1	1	391.331	1.485	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000176997272	530695188	/nfs/dbraw/zinc/69/51/88/530695188.db2.gz	SAGGTAKYEYZYBH-CQSZACIVSA-N	1	1	380.539	1.932	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1	ZINC000182010401	530793515	/nfs/dbraw/zinc/79/35/15/530793515.db2.gz	BCLXQVZTZNMTIS-ZDUSSCGKSA-N	1	1	386.290	1.753	10	0		GDAEMO
Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1	ZINC000182079871	530794252	/nfs/dbraw/zinc/79/42/52/530794252.db2.gz	HNUQFIFNJNYTDP-ZDUSSCGKSA-N	1	1	381.523	1.954	10	0		GDAEMO
C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1	ZINC000186513079	530857482	/nfs/dbraw/zinc/85/74/82/530857482.db2.gz	VVDKWSUCQRTLCN-GFCCVEGCSA-N	1	1	378.445	1.022	10	0		GDAEMO
C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1	ZINC000186513079	530857486	/nfs/dbraw/zinc/85/74/86/530857486.db2.gz	VVDKWSUCQRTLCN-GFCCVEGCSA-N	1	1	378.445	1.022	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1	ZINC000115871001	530901982	/nfs/dbraw/zinc/90/19/82/530901982.db2.gz	NVABLZRPMDROMX-DLUDVSRJSA-N	1	1	385.917	1.758	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@@H+]1CCOC	ZINC000117299977	530911598	/nfs/dbraw/zinc/91/15/98/530911598.db2.gz	ZATSKZZTTBVHCS-GFCCVEGCSA-N	1	1	391.253	1.802	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1CCOC	ZINC000117299977	530911602	/nfs/dbraw/zinc/91/16/02/530911602.db2.gz	ZATSKZZTTBVHCS-GFCCVEGCSA-N	1	1	391.253	1.802	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@H]1C	ZINC000117288231	530911956	/nfs/dbraw/zinc/91/19/56/530911956.db2.gz	XJQNJBKGDJHLKF-GFCCVEGCSA-N	1	1	385.306	1.703	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@H]1C	ZINC000117288231	530911960	/nfs/dbraw/zinc/91/19/60/530911960.db2.gz	XJQNJBKGDJHLKF-GFCCVEGCSA-N	1	1	385.306	1.703	10	0		GDAEMO
Cn1cc(Br)cc1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000124400380	530995481	/nfs/dbraw/zinc/99/54/81/530995481.db2.gz	XYMWEWLOQGERGJ-INIZCTEOSA-N	1	1	392.297	1.937	10	0		GDAEMO
COCCN(C)S(=O)(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245756644	531061038	/nfs/dbraw/zinc/06/10/38/531061038.db2.gz	YMFMQWKDKYPOOQ-CZUORRHYSA-N	1	1	393.912	1.885	10	0		GDAEMO
COCCN(C)S(=O)(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245756644	531061041	/nfs/dbraw/zinc/06/10/41/531061041.db2.gz	YMFMQWKDKYPOOQ-CZUORRHYSA-N	1	1	393.912	1.885	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247217667	531073438	/nfs/dbraw/zinc/07/34/38/531073438.db2.gz	YGQOKDKNMJTIAU-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247217667	531073439	/nfs/dbraw/zinc/07/34/39/531073439.db2.gz	YGQOKDKNMJTIAU-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
O=S(=O)(c1cc(Br)cc2c1OCC2)N1CC[N@H+]2CCC[C@H]2C1	ZINC000248617192	531080010	/nfs/dbraw/zinc/08/00/10/531080010.db2.gz	MDABJUUEPPZGAY-ZDUSSCGKSA-N	1	1	387.299	1.853	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ncc1Br	ZINC000248764298	531081905	/nfs/dbraw/zinc/08/19/05/531081905.db2.gz	ZTQSMDXTUYUZBG-NEPJUHHUSA-N	1	1	381.274	1.786	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000246824233	531070050	/nfs/dbraw/zinc/07/00/50/531070050.db2.gz	STCJBAIDJFQVQF-ZJUUUORDSA-N	1	1	377.226	1.146	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000246824233	531070056	/nfs/dbraw/zinc/07/00/56/531070056.db2.gz	STCJBAIDJFQVQF-ZJUUUORDSA-N	1	1	377.226	1.146	10	0		GDAEMO
C[C@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000156087527	531203913	/nfs/dbraw/zinc/20/39/13/531203913.db2.gz	LNEHOBWBEAXYHC-FZMZJTMJSA-N	1	1	399.289	1.332	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1Cl	ZINC000284894556	532004230	/nfs/dbraw/zinc/00/42/30/532004230.db2.gz	FWDKHUHQIZOPBE-HZPDHXFCSA-N	1	1	387.889	1.392	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1Cl	ZINC000284894556	532004234	/nfs/dbraw/zinc/00/42/34/532004234.db2.gz	FWDKHUHQIZOPBE-HZPDHXFCSA-N	1	1	387.889	1.392	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O	ZINC000006749697	204199800	/nfs/dbraw/zinc/19/98/00/204199800.db2.gz	FDMOXFSHKILATH-QGZVFWFLSA-N	1	1	381.480	1.867	10	0		GDAEMO
O=C1CN(Cc2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CCN1	ZINC000011933054	204362751	/nfs/dbraw/zinc/36/27/51/204362751.db2.gz	CQIOJHIYJPOBHC-NRFANRHFSA-N	1	1	395.503	1.416	10	0		GDAEMO
COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COC(C)C)cc1OC	ZINC000036095567	205004993	/nfs/dbraw/zinc/00/49/93/205004993.db2.gz	NGBBZKMSYVABAS-IBGZPJMESA-N	1	1	396.528	1.624	10	0		GDAEMO
C[N@H+]1CCN(c2cc(C(F)(F)F)ccn2)C[C@@]12CCC(=O)N(CCO)CC2	ZINC000091650206	136176897	/nfs/dbraw/zinc/17/68/97/136176897.db2.gz	JCRPVWHYUZEFJQ-KRWDZBQOSA-N	1	1	386.418	1.596	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)C1	ZINC000052560102	530685982	/nfs/dbraw/zinc/68/59/82/530685982.db2.gz	XLKADUVSKXSUJF-HNNXBMFYSA-N	1	1	397.317	1.962	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000177036447	530696131	/nfs/dbraw/zinc/69/61/31/530696131.db2.gz	YROYLADJSVJIOE-OAHLLOKOSA-N	1	1	387.933	1.903	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cn3cc(Br)cn3)on2)C1	ZINC000178535536	530722524	/nfs/dbraw/zinc/72/25/24/530722524.db2.gz	HLEAWBIPTRLRHF-GFCCVEGCSA-N	1	1	382.262	1.896	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C[C@@H]1C	ZINC000188165858	530886963	/nfs/dbraw/zinc/88/69/63/530886963.db2.gz	GAUUUROIBNKWFT-NSHDSACASA-N	1	1	386.290	1.954	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C[C@@H]1C	ZINC000188165858	530886966	/nfs/dbraw/zinc/88/69/66/530886966.db2.gz	GAUUUROIBNKWFT-NSHDSACASA-N	1	1	386.290	1.954	10	0		GDAEMO
O=C(COc1cccc(I)c1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000192879890	530975310	/nfs/dbraw/zinc/97/53/10/530975310.db2.gz	IDYCXAXNMKSNKE-ZDUSSCGKSA-N	1	1	386.233	1.977	10	0		GDAEMO
O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195332500	531020529	/nfs/dbraw/zinc/02/05/29/531020529.db2.gz	XYDHXGMRJWFOQV-ZDUSSCGKSA-N	1	1	391.269	1.466	10	0		GDAEMO
Cn1cc(C[N@@H+](C)[C@@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(=O)n(C)c1=O	ZINC000245537850	531058079	/nfs/dbraw/zinc/05/80/79/531058079.db2.gz	JGWKIVPTECKMON-HUUCEWRRSA-N	1	1	384.263	1.481	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ncc1Br	ZINC000248752839	531081709	/nfs/dbraw/zinc/08/17/09/531081709.db2.gz	VEZOLEYRYVLMBD-NEPJUHHUSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ncc1Br	ZINC000248752839	531081712	/nfs/dbraw/zinc/08/17/12/531081712.db2.gz	VEZOLEYRYVLMBD-NEPJUHHUSA-N	1	1	399.289	1.005	10	0		GDAEMO
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000249825160	531089607	/nfs/dbraw/zinc/08/96/07/531089607.db2.gz	JLKNRZDSZLNCNP-MNOVXSKESA-N	1	1	386.315	1.936	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1Br	ZINC000247125328	531072930	/nfs/dbraw/zinc/07/29/30/531072930.db2.gz	RZPWVNZSNHCGRZ-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1Br	ZINC000247125328	531072935	/nfs/dbraw/zinc/07/29/35/531072935.db2.gz	RZPWVNZSNHCGRZ-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ncccc2Br)CC1	ZINC000408315333	531233169	/nfs/dbraw/zinc/23/31/69/531233169.db2.gz	ZXOBDOCOJVTTHB-CYBMUJFWSA-N	1	1	381.274	1.223	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1	ZINC000034682293	570300341	/nfs/dbraw/zinc/30/03/41/570300341.db2.gz	GEJADFBAIQYHBT-HNNXBMFYSA-N	1	1	398.463	1.956	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F	ZINC000177726340	644920781	/nfs/dbraw/zinc/92/07/81/644920781.db2.gz	YQHCQWDQYAWGKG-NSHDSACASA-N	1	1	376.425	1.856	10	0		GDAEMO
Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1Br	ZINC000163181772	530574406	/nfs/dbraw/zinc/57/44/06/530574406.db2.gz	ZLWBFTSXIXHNIH-YGRLFVJLSA-N	1	1	384.274	1.651	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000173455572	530630841	/nfs/dbraw/zinc/63/08/41/530630841.db2.gz	CEZDEYXDJZZXFT-IUODEOHRSA-N	1	1	388.281	1.503	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccs1	ZINC000177219405	530699639	/nfs/dbraw/zinc/69/96/39/530699639.db2.gz	KKLBOUAWOQSKRU-GXTWGEPZSA-N	1	1	382.511	1.611	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177603902	530706239	/nfs/dbraw/zinc/70/62/39/530706239.db2.gz	YGQOKDKNMJTIAU-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177603902	530706244	/nfs/dbraw/zinc/70/62/44/530706244.db2.gz	YGQOKDKNMJTIAU-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C	ZINC000177607388	530706589	/nfs/dbraw/zinc/70/65/89/530706589.db2.gz	XDBRTQRRQLBVTD-NXEZZACHSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C	ZINC000177607388	530706593	/nfs/dbraw/zinc/70/65/93/530706593.db2.gz	XDBRTQRRQLBVTD-NXEZZACHSA-N	1	1	375.803	1.470	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000177617034	530706804	/nfs/dbraw/zinc/70/68/04/530706804.db2.gz	PYBFIEAEKNDHKH-IUODEOHRSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000177617034	530706807	/nfs/dbraw/zinc/70/68/07/530706807.db2.gz	PYBFIEAEKNDHKH-IUODEOHRSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000177612714	530706903	/nfs/dbraw/zinc/70/69/03/530706903.db2.gz	YVJYSHRKKVHYQB-IUODEOHRSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000177612714	530706906	/nfs/dbraw/zinc/70/69/06/530706906.db2.gz	YVJYSHRKKVHYQB-IUODEOHRSA-N	1	1	398.301	1.691	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2ccc(Br)cc2)cn1	ZINC000181344864	530781490	/nfs/dbraw/zinc/78/14/90/530781490.db2.gz	YJXNXOKZKAYPRU-HNNXBMFYSA-N	1	1	379.258	1.735	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cccc(I)c2)cn1	ZINC000181380144	530782404	/nfs/dbraw/zinc/78/24/04/530782404.db2.gz	BJJKPRAQDIKLSQ-CQSZACIVSA-N	1	1	396.232	1.811	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnc1Br	ZINC000182828107	530805475	/nfs/dbraw/zinc/80/54/75/530805475.db2.gz	KTQUWVSMMRSBIV-WCQYABFASA-N	1	1	383.290	1.936	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000182878347	530806339	/nfs/dbraw/zinc/80/63/39/530806339.db2.gz	QDRWPNSAMDULSX-VXGBXAGGSA-N	1	1	379.404	1.880	10	0		GDAEMO
COCC[N@H+]1CCN(Cc2nnnn2-c2ccccc2Br)C[C@@H]1C	ZINC000106106911	530846879	/nfs/dbraw/zinc/84/68/79/530846879.db2.gz	AZUPYRFPSXJRGY-ZDUSSCGKSA-N	1	1	395.305	1.577	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)nc1	ZINC000119872329	530932330	/nfs/dbraw/zinc/93/23/30/530932330.db2.gz	RQFNXZHAWWLDNO-INIZCTEOSA-N	1	1	390.281	1.993	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1	ZINC000189479336	530914138	/nfs/dbraw/zinc/91/41/38/530914138.db2.gz	DSELFJFOQMPTJX-ZDUSSCGKSA-N	1	1	399.289	1.006	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000194272512	531002119	/nfs/dbraw/zinc/00/21/19/531002119.db2.gz	OLVHMCOFPDYJAA-GDBMZVCRSA-N	1	1	383.286	1.668	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C	ZINC000246017342	531062468	/nfs/dbraw/zinc/06/24/68/531062468.db2.gz	JHXJAFJHZATVBM-MNOVXSKESA-N	1	1	387.278	1.067	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C	ZINC000248664162	531080771	/nfs/dbraw/zinc/08/07/71/531080771.db2.gz	KPSIESFVXZFNAG-UWVGGRQHSA-N	1	1	392.258	1.985	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C	ZINC000248664162	531080773	/nfs/dbraw/zinc/08/07/73/531080773.db2.gz	KPSIESFVXZFNAG-UWVGGRQHSA-N	1	1	392.258	1.985	10	0		GDAEMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2csc(I)c2)C1	ZINC000134689012	531102776	/nfs/dbraw/zinc/10/27/76/531102776.db2.gz	YKVNXFYFFKJWJG-JTQLQIEISA-N	1	1	380.251	1.803	10	0		GDAEMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2csc(I)c2)C1	ZINC000134689012	531102780	/nfs/dbraw/zinc/10/27/80/531102780.db2.gz	YKVNXFYFFKJWJG-JTQLQIEISA-N	1	1	380.251	1.803	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000246711540	531069563	/nfs/dbraw/zinc/06/95/63/531069563.db2.gz	ZZOVYNFNLJHQIG-CVEARBPZSA-N	1	1	386.539	1.479	10	0		GDAEMO
Cc1c([C@H]2[C@H]([NH2+]Cc3c(Br)cnn3C)CC(=O)N2C)cnn1C	ZINC000330177026	532117218	/nfs/dbraw/zinc/11/72/18/532117218.db2.gz	KJIXNXGWXMKFCH-DOMZBBRYSA-N	1	1	381.278	1.286	10	0		GDAEMO
Nc1nc2c(s1)C[N@@H+](C[C@]1(O)CCCN(CCc3ccccc3)C1=O)CC2	ZINC000067723265	205255877	/nfs/dbraw/zinc/25/58/77/205255877.db2.gz	YXLAHLRWBZNMTI-HXUWFJFHSA-N	1	1	386.521	1.680	10	0		GDAEMO
COCCN(C[C@@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000034667296	570292609	/nfs/dbraw/zinc/29/26/09/570292609.db2.gz	LWKAOHJBCXNHAN-OALUTQOASA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCN(C[C@@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000034667296	570292611	/nfs/dbraw/zinc/29/26/11/570292611.db2.gz	LWKAOHJBCXNHAN-OALUTQOASA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@@H](C)O	ZINC000036207561	570569170	/nfs/dbraw/zinc/56/91/70/570569170.db2.gz	KYGZIWKVXFFMLZ-SNVBAGLBSA-N	1	1	383.470	1.299	10	0		GDAEMO
COCCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@@H](C)O	ZINC000036207561	570569172	/nfs/dbraw/zinc/56/91/72/570569172.db2.gz	KYGZIWKVXFFMLZ-SNVBAGLBSA-N	1	1	383.470	1.299	10	0		GDAEMO
Cc1nc(Cc2nn(CN3CC[C@H]([NH+]4CCOCC4)C3)c(=S)o2)cs1	ZINC000172960162	644886370	/nfs/dbraw/zinc/88/63/70/644886370.db2.gz	YHZVPDDBRZFSLD-AWEZNQCLSA-N	1	1	381.527	1.925	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1	ZINC000159305781	530542670	/nfs/dbraw/zinc/54/26/70/530542670.db2.gz	QPLIDJPPLFJBJY-KGLIPLIRSA-N	1	1	388.559	1.397	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CCNC(C)=O)s1	ZINC000173831143	530638712	/nfs/dbraw/zinc/63/87/12/530638712.db2.gz	SHGBQEJNINPGIM-LSDHHAIUSA-N	1	1	385.555	1.674	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177611290	530707000	/nfs/dbraw/zinc/70/70/00/530707000.db2.gz	INEMOLYAUWFRQM-VXGBXAGGSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177611290	530707002	/nfs/dbraw/zinc/70/70/02/530707002.db2.gz	INEMOLYAUWFRQM-VXGBXAGGSA-N	1	1	398.301	1.610	10	0		GDAEMO
CN(C)c1nc2sc(C(=O)N3CC[NH2+]C[C@H]3c3cnn(C)c3)cc2s1	ZINC000181398435	530782898	/nfs/dbraw/zinc/78/28/98/530782898.db2.gz	DBDPCFDXQAJNEV-NSHDSACASA-N	1	1	376.511	1.944	10	0		GDAEMO
C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N(C)Cc1ccccc1Br	ZINC000103285941	530834258	/nfs/dbraw/zinc/83/42/58/530834258.db2.gz	VNZNOWGWHDKWBA-OCCSQVGLSA-N	1	1	382.302	1.993	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000184966852	530834735	/nfs/dbraw/zinc/83/47/35/530834735.db2.gz	YURVWJGIXNNBKT-GFCCVEGCSA-N	1	1	377.392	1.804	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1	ZINC000183428645	530814917	/nfs/dbraw/zinc/81/49/17/530814917.db2.gz	WWZJJPQJCDODQY-SNVBAGLBSA-N	1	1	382.258	1.994	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2cncc(I)c2)CC1	ZINC000119118581	530922407	/nfs/dbraw/zinc/92/24/07/530922407.db2.gz	QXJURDJOANTMAX-CYBMUJFWSA-N	1	1	389.237	1.215	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000122098992	530966882	/nfs/dbraw/zinc/96/68/82/530966882.db2.gz	VOPFMRCMPDVLNH-LLVKDONJSA-N	1	1	389.237	1.479	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000122098992	530966884	/nfs/dbraw/zinc/96/68/84/530966884.db2.gz	VOPFMRCMPDVLNH-LLVKDONJSA-N	1	1	389.237	1.479	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000124223003	530992772	/nfs/dbraw/zinc/99/27/72/530992772.db2.gz	MCGSJJMWBLALSS-WDEREUQCSA-N	1	1	389.237	1.213	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000124223003	530992774	/nfs/dbraw/zinc/99/27/74/530992774.db2.gz	MCGSJJMWBLALSS-WDEREUQCSA-N	1	1	389.237	1.213	10	0		GDAEMO
C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccccc3I)C[C@H]2C1	ZINC000193635315	530990641	/nfs/dbraw/zinc/99/06/41/530990641.db2.gz	OMWKPCCPOVUILX-TXEJJXNPSA-N	1	1	385.249	1.723	10	0		GDAEMO
CCS(=O)(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245714445	531059984	/nfs/dbraw/zinc/05/99/84/531059984.db2.gz	PVNCEKAKQACZPG-LRDDRELGSA-N	1	1	391.896	1.527	10	0		GDAEMO
CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1Cl	ZINC000247488165	531074940	/nfs/dbraw/zinc/07/49/40/531074940.db2.gz	LCNBUQZDXUWZLV-NSHDSACASA-N	1	1	375.853	1.906	10	0		GDAEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C	ZINC000247806754	531076462	/nfs/dbraw/zinc/07/64/62/531076462.db2.gz	SVQKERIHOAFWEX-CYBMUJFWSA-N	1	1	385.306	1.825	10	0		GDAEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C	ZINC000247806754	531076465	/nfs/dbraw/zinc/07/64/65/531076465.db2.gz	SVQKERIHOAFWEX-CYBMUJFWSA-N	1	1	385.306	1.825	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1Br	ZINC000248736092	531081893	/nfs/dbraw/zinc/08/18/93/531081893.db2.gz	NFKGMAHKNNHVJO-ZWNOBZJWSA-N	1	1	383.290	1.936	10	0		GDAEMO
CS(=O)(=O)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000253350275	531092145	/nfs/dbraw/zinc/09/21/45/531092145.db2.gz	CGOPRQGDJSBHEJ-ZIAGYGMSSA-N	1	1	378.416	1.458	10	0		GDAEMO
CS(=O)(=O)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F	ZINC000253350275	531092148	/nfs/dbraw/zinc/09/21/48/531092148.db2.gz	CGOPRQGDJSBHEJ-ZIAGYGMSSA-N	1	1	378.416	1.458	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1	ZINC000408460799	531243825	/nfs/dbraw/zinc/24/38/25/531243825.db2.gz	RGXGEBZWLITORQ-DGCLKSJQSA-N	1	1	380.388	1.505	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@@H]2C1	ZINC000408460799	531243832	/nfs/dbraw/zinc/24/38/32/531243832.db2.gz	RGXGEBZWLITORQ-DGCLKSJQSA-N	1	1	380.388	1.505	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21	ZINC000284354550	531951691	/nfs/dbraw/zinc/95/16/91/531951691.db2.gz	AVDDBYBHUMOPMW-HOTGVXAUSA-N	1	1	391.896	1.561	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21	ZINC000284354550	531951696	/nfs/dbraw/zinc/95/16/96/531951696.db2.gz	AVDDBYBHUMOPMW-HOTGVXAUSA-N	1	1	391.896	1.561	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000004110952	204027978	/nfs/dbraw/zinc/02/79/78/204027978.db2.gz	SLEUKIGAACGSAF-OAHLLOKOSA-N	1	1	393.484	1.433	10	0		GDAEMO
COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1	ZINC000012297252	204391745	/nfs/dbraw/zinc/39/17/45/204391745.db2.gz	NZMQKORMDSUKEN-QFIPXVFZSA-N	1	1	396.491	1.917	10	0		GDAEMO
COCCN(C[C@@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000034667295	570292681	/nfs/dbraw/zinc/29/26/81/570292681.db2.gz	LWKAOHJBCXNHAN-RBUKOAKNSA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000034667295	570292683	/nfs/dbraw/zinc/29/26/83/570292683.db2.gz	LWKAOHJBCXNHAN-RBUKOAKNSA-N	1	1	382.476	1.632	10	0		GDAEMO
CC[C@@H]1CN(Cn2nc(NCCOC)sc2=S)CC[N@H+]1CCOC	ZINC000117325419	644650312	/nfs/dbraw/zinc/65/03/12/644650312.db2.gz	STKMBBFHQRCESD-CYBMUJFWSA-N	1	1	375.564	1.732	10	0		GDAEMO
CC(=O)N[C@@H]1CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1	ZINC000123790544	644699561	/nfs/dbraw/zinc/69/95/61/644699561.db2.gz	GPQFJQKQFNZXDX-GFCCVEGCSA-N	1	1	379.258	1.717	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cn1nc(Br)nc1Br	ZINC000246134881	645093563	/nfs/dbraw/zinc/09/35/63/645093563.db2.gz	MXIRLOCLANRLTP-BDAKNGLRSA-N	1	1	379.100	1.929	10	0		GDAEMO
O=C([C@@H]1C[N@@H+](Cc2ccncc2)C[C@H]1C(F)(F)F)N1CCS(=O)CC1	ZINC000888103147	657863564	/nfs/dbraw/zinc/86/35/64/657863564.db2.gz	KEVMKETVUYFDRR-ZIAGYGMSSA-N	1	1	375.416	1.283	10	0		GDAEMO
O=C([C@@H]1C[N@H+](Cc2ccncc2)C[C@H]1C(F)(F)F)N1CCS(=O)CC1	ZINC000888103147	657863575	/nfs/dbraw/zinc/86/35/75/657863575.db2.gz	KEVMKETVUYFDRR-ZIAGYGMSSA-N	1	1	375.416	1.283	10	0		GDAEMO
CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C(N)=O)c1cccc(Br)c1)CC2	ZINC000162113833	530565608	/nfs/dbraw/zinc/56/56/08/530565608.db2.gz	SAFRYAYXAYCVRA-IUODEOHRSA-N	1	1	378.274	1.734	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CCNC(C)=O)s1	ZINC000173831122	530638737	/nfs/dbraw/zinc/63/87/37/530638737.db2.gz	SHGBQEJNINPGIM-HUUCEWRRSA-N	1	1	385.555	1.674	10	0		GDAEMO
O=C(CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)Nc1ccccc1Br	ZINC000178638810	530724815	/nfs/dbraw/zinc/72/48/15/530724815.db2.gz	CRZHKIJJVMXNFC-CYBMUJFWSA-N	1	1	395.301	1.284	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(Br)n1	ZINC000179868377	530751725	/nfs/dbraw/zinc/75/17/25/530751725.db2.gz	ATKAOCFIWHHEHP-GXFFZTMASA-N	1	1	383.290	1.936	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1	ZINC000189469918	530914229	/nfs/dbraw/zinc/91/42/29/530914229.db2.gz	LABDAYRGEDMRBV-CQSZACIVSA-N	1	1	384.274	1.303	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Br	ZINC000194146292	530999975	/nfs/dbraw/zinc/99/99/75/530999975.db2.gz	SXAAMVUPIPRXAA-JQWIXIFHSA-N	1	1	381.274	1.786	10	0		GDAEMO
COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000245417005	531056861	/nfs/dbraw/zinc/05/68/61/531056861.db2.gz	JHZTXTONMHZNJP-NSHDSACASA-N	1	1	375.288	1.926	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)cc1	ZINC000248574287	531079134	/nfs/dbraw/zinc/07/91/34/531079134.db2.gz	OCMSIHLAVRMXRH-WFASDCNBSA-N	1	1	380.286	1.874	10	0		GDAEMO
COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000248720520	531081330	/nfs/dbraw/zinc/08/13/30/531081330.db2.gz	HOKUOHLBDWCEQN-LBPRGKRZSA-N	1	1	375.288	1.926	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(Br)nn2C)C[C@H](C)O1	ZINC000248733442	531081754	/nfs/dbraw/zinc/08/17/54/531081754.db2.gz	BHZZLJGYLFWGEC-FRRDWIJNSA-N	1	1	385.306	1.896	10	0		GDAEMO
C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(Br)nn2C)C[C@H](C)O1	ZINC000248733442	531081755	/nfs/dbraw/zinc/08/17/55/531081755.db2.gz	BHZZLJGYLFWGEC-FRRDWIJNSA-N	1	1	385.306	1.896	10	0		GDAEMO
CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246998083	531070954	/nfs/dbraw/zinc/07/09/54/531070954.db2.gz	UDALQIMXCWGDBS-GOEBONIOSA-N	1	1	385.302	1.989	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C	ZINC000247147207	531072556	/nfs/dbraw/zinc/07/25/56/531072556.db2.gz	UAVIYGWLAXRPOA-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C	ZINC000247147207	531072561	/nfs/dbraw/zinc/07/25/61/531072561.db2.gz	UAVIYGWLAXRPOA-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C	ZINC000154968373	531192649	/nfs/dbraw/zinc/19/26/49/531192649.db2.gz	LYXDSJYBGKHYPT-CYBMUJFWSA-N	1	1	398.301	1.358	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)C[C@H]1C	ZINC000154968373	531192651	/nfs/dbraw/zinc/19/26/51/531192651.db2.gz	LYXDSJYBGKHYPT-CYBMUJFWSA-N	1	1	398.301	1.358	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1	ZINC000155539113	531201288	/nfs/dbraw/zinc/20/12/88/531201288.db2.gz	SLFKBTBUPMVAQO-HIFRSBDPSA-N	1	1	387.933	1.853	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@@H]2C1	ZINC000285279699	532059042	/nfs/dbraw/zinc/05/90/42/532059042.db2.gz	ZWCNZSWDAMMXHI-OLZOCXBDSA-N	1	1	388.873	1.205	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@@H]2C1	ZINC000285279699	532059047	/nfs/dbraw/zinc/05/90/47/532059047.db2.gz	ZWCNZSWDAMMXHI-OLZOCXBDSA-N	1	1	388.873	1.205	10	0		GDAEMO
O=C1C[NH2+]CCN1[C@H]1CCCN(c2noc3ccc(Br)cc32)C1	ZINC000333912684	532255862	/nfs/dbraw/zinc/25/58/62/532255862.db2.gz	LXVGBVFQPIRKKV-LBPRGKRZSA-N	1	1	379.258	1.991	10	0		GDAEMO
CC(C)[N@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1ccc(F)cc1)N2C	ZINC000035442409	204219730	/nfs/dbraw/zinc/21/97/30/204219730.db2.gz	LSEBHGZPOKICAZ-NSHGMRRFSA-N	1	1	390.503	1.504	10	0		GDAEMO
CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1ccc(F)cc1)[N@@H+]2C	ZINC000035442409	204219734	/nfs/dbraw/zinc/21/97/34/204219734.db2.gz	LSEBHGZPOKICAZ-NSHGMRRFSA-N	1	1	390.503	1.504	10	0		GDAEMO
CC(C)N1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)NCc1ccc(F)cc1)[N@H+]2C	ZINC000035442409	204219739	/nfs/dbraw/zinc/21/97/39/204219739.db2.gz	LSEBHGZPOKICAZ-NSHGMRRFSA-N	1	1	390.503	1.504	10	0		GDAEMO
COc1cccc(-c2nc3cnccn3c2NCCC(=O)N2CC[NH+](C)CC2)c1	ZINC000064759126	205194072	/nfs/dbraw/zinc/19/40/72/205194072.db2.gz	DXVYVHYZNQRDJE-UHFFFAOYSA-N	1	1	394.479	1.981	10	0		GDAEMO
COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CC[NH+](C)CC2)cc1	ZINC000064759053	205194203	/nfs/dbraw/zinc/19/42/03/205194203.db2.gz	BIBVPJIHGSGGGH-UHFFFAOYSA-N	1	1	394.479	1.981	10	0		GDAEMO
CS(=O)(=O)N1CCc2ccc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cc21	ZINC000065210493	205219393	/nfs/dbraw/zinc/21/93/93/205219393.db2.gz	YULHAEAXCDVIMA-UHFFFAOYSA-N	1	1	399.516	1.797	10	0		GDAEMO
CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC	ZINC000036207268	570569061	/nfs/dbraw/zinc/56/90/61/570569061.db2.gz	MIQMWXNGCQBVDV-LBPRGKRZSA-N	1	1	397.497	1.689	10	0		GDAEMO
CCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@H](O)COC	ZINC000036207268	570569062	/nfs/dbraw/zinc/56/90/62/570569062.db2.gz	MIQMWXNGCQBVDV-LBPRGKRZSA-N	1	1	397.497	1.689	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cn1nc(Br)nc1Br	ZINC000175237148	644904340	/nfs/dbraw/zinc/90/43/40/644904340.db2.gz	MXIRLOCLANRLTP-RKDXNWHRSA-N	1	1	379.100	1.929	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1	ZINC000159306683	530542221	/nfs/dbraw/zinc/54/22/21/530542221.db2.gz	RRAROWLDAJAHEJ-JSGCOSHPSA-N	1	1	388.559	1.363	10	0		GDAEMO
CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000179940217	530753564	/nfs/dbraw/zinc/75/35/64/530753564.db2.gz	UBXBLYITMWTNDT-CYBMUJFWSA-N	1	1	388.331	1.984	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C[C@H]1C	ZINC000188165829	530887105	/nfs/dbraw/zinc/88/71/05/530887105.db2.gz	GAUUUROIBNKWFT-LLVKDONJSA-N	1	1	386.290	1.954	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)C[C@H]1C	ZINC000188165829	530887106	/nfs/dbraw/zinc/88/71/06/530887106.db2.gz	GAUUUROIBNKWFT-LLVKDONJSA-N	1	1	386.290	1.954	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000188176037	530888118	/nfs/dbraw/zinc/88/81/18/530888118.db2.gz	YWOCHAOJLBRLCC-GHMZBOCLSA-N	1	1	386.290	1.688	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000188176037	530888120	/nfs/dbraw/zinc/88/81/20/530888120.db2.gz	YWOCHAOJLBRLCC-GHMZBOCLSA-N	1	1	386.290	1.688	10	0		GDAEMO
Cc1[nH]cc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c(=O)c1Br	ZINC000119744234	530930649	/nfs/dbraw/zinc/93/06/49/530930649.db2.gz	JWOHZMQVDSMWAV-UHFFFAOYSA-N	1	1	384.274	1.795	10	0		GDAEMO
[NH3+]CC(F)(F)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000190197467	530926592	/nfs/dbraw/zinc/92/65/92/530926592.db2.gz	QKJFDDKNNACLFB-NSHDSACASA-N	1	1	395.859	1.451	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1	ZINC000190711086	530935980	/nfs/dbraw/zinc/93/59/80/530935980.db2.gz	WKQZPKCQJIKEMW-GXTWGEPZSA-N	1	1	388.559	1.348	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1	ZINC000190711086	530935983	/nfs/dbraw/zinc/93/59/83/530935983.db2.gz	WKQZPKCQJIKEMW-GXTWGEPZSA-N	1	1	388.559	1.348	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1	ZINC000194636963	531007660	/nfs/dbraw/zinc/00/76/60/531007660.db2.gz	OVRMLKGTSKEGAK-GFCCVEGCSA-N	1	1	394.269	1.646	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ncc1Br	ZINC000194146418	530999910	/nfs/dbraw/zinc/99/99/10/530999910.db2.gz	ZTQSMDXTUYUZBG-RYUDHWBXSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000249163968	531084830	/nfs/dbraw/zinc/08/48/30/531084830.db2.gz	JVOQXOXSSIIEIS-OLZOCXBDSA-N	1	1	381.274	1.868	10	0		GDAEMO
CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000253356145	531091962	/nfs/dbraw/zinc/09/19/62/531091962.db2.gz	WSYPIXVIJSNQEY-JKSUJKDBSA-N	1	1	376.906	1.231	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246979024	531070916	/nfs/dbraw/zinc/07/09/16/531070916.db2.gz	SGNKEWANDQARQN-RDJZCZTQSA-N	1	1	399.329	1.843	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O	ZINC000247094308	531072031	/nfs/dbraw/zinc/07/20/31/531072031.db2.gz	PYBFIEAEKNDHKH-SWLSCSKDSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000247094308	531072034	/nfs/dbraw/zinc/07/20/34/531072034.db2.gz	PYBFIEAEKNDHKH-SWLSCSKDSA-N	1	1	398.301	1.691	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000408151530	531222399	/nfs/dbraw/zinc/22/23/99/531222399.db2.gz	RARATUUPSLMSMB-YPMHNXCESA-N	1	1	391.490	1.054	10	0		GDAEMO
C[C@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(I)cc21	ZINC000408243631	531228702	/nfs/dbraw/zinc/22/87/02/531228702.db2.gz	IXUFGFPOCALIGG-VIFPVBQESA-N	1	1	384.221	1.944	10	0		GDAEMO
C[C@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc(I)cc21	ZINC000408243631	531228705	/nfs/dbraw/zinc/22/87/05/531228705.db2.gz	IXUFGFPOCALIGG-VIFPVBQESA-N	1	1	384.221	1.944	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1Cl	ZINC000284894547	532003706	/nfs/dbraw/zinc/00/37/06/532003706.db2.gz	FWDKHUHQIZOPBE-CVEARBPZSA-N	1	1	387.889	1.392	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1Cl	ZINC000284894547	532003714	/nfs/dbraw/zinc/00/37/14/532003714.db2.gz	FWDKHUHQIZOPBE-CVEARBPZSA-N	1	1	387.889	1.392	10	0		GDAEMO
Cc1cc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)sc1Br	ZINC000404110841	532306224	/nfs/dbraw/zinc/30/62/24/532306224.db2.gz	JPRSWWOZBYXPOV-VHSXEESVSA-N	1	1	381.317	1.570	10	0		GDAEMO
CC(C)CCNC(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1	ZINC000034677434	204970837	/nfs/dbraw/zinc/97/08/37/204970837.db2.gz	QUBKOPRLYPVQNE-KRWDZBQOSA-N	1	1	396.532	1.354	10	0		GDAEMO
CCc1noc(-c2ccc(-n3ncc(C(=O)N4CC[NH+](CC)CC4)c3C)nc2)n1	ZINC000065251455	205223638	/nfs/dbraw/zinc/22/36/38/205223638.db2.gz	IBFOCBPREVVZEX-UHFFFAOYSA-N	1	1	395.467	1.966	10	0		GDAEMO
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1F	ZINC000177723586	644921045	/nfs/dbraw/zinc/92/10/45/644921045.db2.gz	ZJQYCQSIPFYNFP-PWSUYJOCSA-N	1	1	376.425	1.758	10	0		GDAEMO
[NH3+]C1(CC(=O)NC[C@H]2[C@@H](C(=O)[O-])C2(F)F)CC[NH+](Cc2ccccc2)CC1	ZINC000714927396	977683577	/nfs/dbraw/zinc/68/35/77/977683577.db2.gz	ZBZNDDYZHBSWSB-HOCLYGCPSA-N	1	1	381.423	1.452	10	0		GDAEMO
C[N@@H+]1CCO[C@H](CNc2ncnc3ccc(I)cc32)C1	ZINC000174708993	530653110	/nfs/dbraw/zinc/65/31/10/530653110.db2.gz	PNUVHLBBVGGUGS-LLVKDONJSA-N	1	1	384.221	1.977	10	0		GDAEMO
C[N@H+]1CCO[C@H](CNc2ncnc3ccc(I)cc32)C1	ZINC000174708993	530653112	/nfs/dbraw/zinc/65/31/12/530653112.db2.gz	PNUVHLBBVGGUGS-LLVKDONJSA-N	1	1	384.221	1.977	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cc1Br	ZINC000177610094	530707244	/nfs/dbraw/zinc/70/72/44/530707244.db2.gz	RZPWVNZSNHCGRZ-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cc1Br	ZINC000177610094	530707246	/nfs/dbraw/zinc/70/72/46/530707246.db2.gz	RZPWVNZSNHCGRZ-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1	ZINC000182010419	530793632	/nfs/dbraw/zinc/79/36/32/530793632.db2.gz	BCLXQVZTZNMTIS-CYBMUJFWSA-N	1	1	386.290	1.753	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccncc1Br	ZINC000119823915	530931936	/nfs/dbraw/zinc/93/19/36/530931936.db2.gz	PGKRABSDKUTAOK-HNNXBMFYSA-N	1	1	390.281	1.993	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2cncc(I)c2)CC1	ZINC000119118485	530922310	/nfs/dbraw/zinc/92/23/10/530922310.db2.gz	QXJURDJOANTMAX-ZDUSSCGKSA-N	1	1	389.237	1.215	10	0		GDAEMO
O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195311082	531020797	/nfs/dbraw/zinc/02/07/97/531020797.db2.gz	JJSLVQNIEGBQFQ-OAHLLOKOSA-N	1	1	380.286	1.876	10	0		GDAEMO
Cn1cc(C[N@@H+](C)[C@H]2c3cc(Cl)cc(Cl)c3C[C@H]2O)c(=O)n(C)c1=O	ZINC000245537848	531058380	/nfs/dbraw/zinc/05/83/80/531058380.db2.gz	JGWKIVPTECKMON-CABCVRRESA-N	1	1	384.263	1.481	10	0		GDAEMO
O=S(=O)(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000245620496	531059302	/nfs/dbraw/zinc/05/93/02/531059302.db2.gz	NZVJRSOFYDIIHP-GJZGRUSLSA-N	1	1	381.885	1.649	10	0		GDAEMO
O=S(=O)(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000245620496	531059305	/nfs/dbraw/zinc/05/93/05/531059305.db2.gz	NZVJRSOFYDIIHP-GJZGRUSLSA-N	1	1	381.885	1.649	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000247266539	531073919	/nfs/dbraw/zinc/07/39/19/531073919.db2.gz	FPCLTKAKSYCDFT-CVEARBPZSA-N	1	1	385.302	1.595	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1	ZINC000247447245	531074334	/nfs/dbraw/zinc/07/43/34/531074334.db2.gz	SLFKBTBUPMVAQO-UKRRQHHQSA-N	1	1	387.933	1.853	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775737	531076651	/nfs/dbraw/zinc/07/66/51/531076651.db2.gz	QMVRYEWNBUGVQF-YCPHGPKFSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775737	531076655	/nfs/dbraw/zinc/07/66/55/531076655.db2.gz	QMVRYEWNBUGVQF-YCPHGPKFSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775737	531076658	/nfs/dbraw/zinc/07/66/58/531076658.db2.gz	QMVRYEWNBUGVQF-YCPHGPKFSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Br)cn2)C1	ZINC000248737079	531081720	/nfs/dbraw/zinc/08/17/20/531081720.db2.gz	NNUPNMGCZZPIHJ-WCQYABFASA-N	1	1	381.274	1.725	10	0		GDAEMO
CCS(=O)(=O)NCCC[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1	ZINC000132643448	531082828	/nfs/dbraw/zinc/08/28/28/531082828.db2.gz	IAXNVQKCXZEXHX-HNNXBMFYSA-N	1	1	375.560	1.383	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(Br)n1	ZINC000249128427	531084492	/nfs/dbraw/zinc/08/44/92/531084492.db2.gz	CQTFKJIRARMFET-VXGBXAGGSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1	ZINC000131314714	531070041	/nfs/dbraw/zinc/07/00/41/531070041.db2.gz	DPZKPLXDNSYXSJ-CQSZACIVSA-N	1	1	388.559	1.461	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@H](C)O	ZINC000247094334	531072307	/nfs/dbraw/zinc/07/23/07/531072307.db2.gz	PYBFIEAEKNDHKH-WFASDCNBSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000247094334	531072311	/nfs/dbraw/zinc/07/23/11/531072311.db2.gz	PYBFIEAEKNDHKH-WFASDCNBSA-N	1	1	398.301	1.691	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CC[N@H+](C)C[C@@H]43)cc(Cl)c2O1	ZINC000285249748	532055475	/nfs/dbraw/zinc/05/54/75/532055475.db2.gz	YFRWUUFFSHMRRF-XFBWCDHKSA-N	1	1	386.901	1.757	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@@H]43)cc(Cl)c2O1	ZINC000285249748	532055480	/nfs/dbraw/zinc/05/54/80/532055480.db2.gz	YFRWUUFFSHMRRF-XFBWCDHKSA-N	1	1	386.901	1.757	10	0		GDAEMO
CS(=O)(=O)NC[C@]1(O)CCC[N@H+](Cc2ccnn2-c2ccccc2)CC1	ZINC000072166836	205315774	/nfs/dbraw/zinc/31/57/74/205315774.db2.gz	PQVNZNXGMKTHHX-SFHVURJKSA-N	1	1	378.498	1.139	10	0		GDAEMO
CS(=O)(=O)NC[C@]1(O)CCC[N@@H+](Cc2ccnn2-c2ccccc2)CC1	ZINC000072166836	205315776	/nfs/dbraw/zinc/31/57/76/205315776.db2.gz	PQVNZNXGMKTHHX-SFHVURJKSA-N	1	1	378.498	1.139	10	0		GDAEMO
COc1ccc(CN2CCCCO2)cc1OC[C@H](O)C[NH+]1CCN(C)CC1	ZINC000020539212	570266351	/nfs/dbraw/zinc/26/63/51/570266351.db2.gz	MUPGKKLVHWZUOV-GOSISDBHSA-N	1	1	379.501	1.210	10	0		GDAEMO
Cc1nc(Cl)sc1C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000177829048	644921716	/nfs/dbraw/zinc/92/17/16/644921716.db2.gz	ULTBHOAWIQYJBX-AWEZNQCLSA-N	1	1	386.949	1.972	10	0		GDAEMO
COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H](C)C(N)=O	ZINC000171577929	530600623	/nfs/dbraw/zinc/60/06/23/530600623.db2.gz	LVUJMRTXHWBOKN-AAEUAGOBSA-N	1	1	375.263	1.011	10	0		GDAEMO
COCC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H](C)C(N)=O	ZINC000171577929	530600625	/nfs/dbraw/zinc/60/06/25/530600625.db2.gz	LVUJMRTXHWBOKN-AAEUAGOBSA-N	1	1	375.263	1.011	10	0		GDAEMO
O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000171900114	530604793	/nfs/dbraw/zinc/60/47/93/530604793.db2.gz	NDXUEBGWNDFKMW-AWEZNQCLSA-N	1	1	386.905	1.108	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc(I)c2)C[C@@H]1C	ZINC000174305142	530646247	/nfs/dbraw/zinc/64/62/47/530646247.db2.gz	XJAWHGDSQFAZJM-VHSXEESVSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc(I)c2)C[C@@H]1C	ZINC000174305142	530646250	/nfs/dbraw/zinc/64/62/50/530646250.db2.gz	XJAWHGDSQFAZJM-VHSXEESVSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C	ZINC000174322113	530646778	/nfs/dbraw/zinc/64/67/78/530646778.db2.gz	KCLYYEUMOOCPKL-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2I)C[C@H]1C	ZINC000174322113	530646781	/nfs/dbraw/zinc/64/67/81/530646781.db2.gz	KCLYYEUMOOCPKL-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000177422904	530703270	/nfs/dbraw/zinc/70/32/70/530703270.db2.gz	IOBSSXBDVXYBBE-CQSZACIVSA-N	1	1	387.933	1.951	10	0		GDAEMO
COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177695452	530708997	/nfs/dbraw/zinc/70/89/97/530708997.db2.gz	QWNGVWRPYHKXNB-GFCCVEGCSA-N	1	1	396.285	1.841	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000179453074	530741262	/nfs/dbraw/zinc/74/12/62/530741262.db2.gz	LYZCKENXURHQAM-HOTGVXAUSA-N	1	1	376.906	1.231	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1	ZINC000057820009	530728957	/nfs/dbraw/zinc/72/89/57/530728957.db2.gz	AYTANATVHYSMMC-CQSZACIVSA-N	1	1	388.921	1.402	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2ccccc2Br)cn1	ZINC000181453537	530783319	/nfs/dbraw/zinc/78/33/19/530783319.db2.gz	DQJHEIWREZQBEC-AWEZNQCLSA-N	1	1	379.258	1.735	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000106191621	530846840	/nfs/dbraw/zinc/84/68/40/530846840.db2.gz	LSXCZJNKEOFWNL-RDJZCZTQSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000106191621	530846845	/nfs/dbraw/zinc/84/68/45/530846845.db2.gz	LSXCZJNKEOFWNL-RDJZCZTQSA-N	1	1	396.285	1.786	10	0		GDAEMO
C[C@H](C[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1)CS(C)(=O)=O	ZINC000190514591	530931342	/nfs/dbraw/zinc/93/13/42/530931342.db2.gz	XHNDEPJGHQUVMQ-CVEARBPZSA-N	1	1	376.563	1.795	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1	ZINC000189453940	530913751	/nfs/dbraw/zinc/91/37/51/530913751.db2.gz	LLYJQYGOHYZTQA-HNNXBMFYSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC(C)S(=O)(=O)CCC[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1	ZINC000191985795	530958324	/nfs/dbraw/zinc/95/83/24/530958324.db2.gz	GQAWUZHDSQBBHA-UHFFFAOYSA-N	1	1	376.563	1.938	10	0		GDAEMO
CN1CC[NH+]([C@@H]2CCCCN(C(=O)C(=O)Nc3ccsc3Cl)C2)CC1	ZINC000190909928	530939797	/nfs/dbraw/zinc/93/97/97/530939797.db2.gz	AMBKGPZDYMOLNR-CYBMUJFWSA-N	1	1	384.933	1.969	10	0		GDAEMO
O=C(COc1cccc(I)c1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000192879877	530974870	/nfs/dbraw/zinc/97/48/70/530974870.db2.gz	IDYCXAXNMKSNKE-CYBMUJFWSA-N	1	1	386.233	1.977	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O	ZINC000125462603	531006469	/nfs/dbraw/zinc/00/64/69/531006469.db2.gz	AHNNNIHCHRWSLA-LBPRGKRZSA-N	1	1	399.289	1.029	10	0		GDAEMO
CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCN(C(=O)c3cccs3)CC2)C1	ZINC000131644235	531073639	/nfs/dbraw/zinc/07/36/39/531073639.db2.gz	LHQQBUJWWYNVAF-HNNXBMFYSA-N	1	1	385.555	1.568	10	0		GDAEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1	ZINC000247521127	531074923	/nfs/dbraw/zinc/07/49/23/531074923.db2.gz	OBEDAOQGUMWKMO-WMLDXEAASA-N	1	1	386.539	1.585	10	0		GDAEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1	ZINC000247521127	531074925	/nfs/dbraw/zinc/07/49/25/531074925.db2.gz	OBEDAOQGUMWKMO-WMLDXEAASA-N	1	1	386.539	1.585	10	0		GDAEMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21	ZINC000247638754	531076369	/nfs/dbraw/zinc/07/63/69/531076369.db2.gz	UMVMMNBETIKGMQ-GOEBONIOSA-N	1	1	386.539	1.503	10	0		GDAEMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21	ZINC000247638754	531076371	/nfs/dbraw/zinc/07/63/71/531076371.db2.gz	UMVMMNBETIKGMQ-GOEBONIOSA-N	1	1	386.539	1.503	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cnc1Br	ZINC000249176713	531085253	/nfs/dbraw/zinc/08/52/53/531085253.db2.gz	MGINJTWSFOXDHM-YPMHNXCESA-N	1	1	381.274	1.786	10	0		GDAEMO
O=C(C[N@H+]1CCS[C@@H]2COCC[C@H]21)N1CCN(Cc2cccs2)CC1	ZINC000246965560	531071151	/nfs/dbraw/zinc/07/11/51/531071151.db2.gz	NHCMIBNEKAGJIY-IAGOWNOFSA-N	1	1	381.567	1.599	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000247077011	531071817	/nfs/dbraw/zinc/07/18/17/531071817.db2.gz	HRRPMUDDQOGFGE-OLZOCXBDSA-N	1	1	385.917	1.899	10	0		GDAEMO
C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114721	531220104	/nfs/dbraw/zinc/22/01/04/531220104.db2.gz	ZBGXETRDZNZSLJ-GHMZBOCLSA-N	1	1	394.269	1.596	10	0		GDAEMO
C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114721	531220110	/nfs/dbraw/zinc/22/01/10/531220110.db2.gz	ZBGXETRDZNZSLJ-GHMZBOCLSA-N	1	1	394.269	1.596	10	0		GDAEMO
CC[C@@H]1CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000330284968	532118773	/nfs/dbraw/zinc/11/87/73/532118773.db2.gz	YELXKXADTUXORX-GFCCVEGCSA-N	1	1	391.946	1.719	10	0		GDAEMO
COCCC(=O)N1CCC[N@@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000065293308	570959532	/nfs/dbraw/zinc/95/95/32/570959532.db2.gz	UIZSOPHMZBKIAW-SFHVURJKSA-N	1	1	377.460	1.497	10	0		GDAEMO
COCCC(=O)N1CCC[N@H+]([C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000065293308	570959536	/nfs/dbraw/zinc/95/95/36/570959536.db2.gz	UIZSOPHMZBKIAW-SFHVURJKSA-N	1	1	377.460	1.497	10	0		GDAEMO
O=c1c(Cl)c(Cl)cnn1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000118959080	644654948	/nfs/dbraw/zinc/65/49/48/644654948.db2.gz	HWXRTTVIVFCZOA-HNNXBMFYSA-N	1	1	383.279	1.859	10	0		GDAEMO
CC(=O)N1CSC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190537463	645020719	/nfs/dbraw/zinc/02/07/19/645020719.db2.gz	FHHLELXTOQPYSY-GJZGRUSLSA-N	1	1	382.555	1.653	10	0		GDAEMO
CCC[NH+]1CCN(C(=O)c2cnc(-n3cnnc3)c(Br)c2)CC1	ZINC000223072205	645074230	/nfs/dbraw/zinc/07/42/30/645074230.db2.gz	RFKQTQXWHTXESZ-UHFFFAOYSA-N	1	1	379.262	1.593	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1Cn1nc(Br)nc1Br	ZINC000246134890	645093555	/nfs/dbraw/zinc/09/35/55/645093555.db2.gz	MXIRLOCLANRLTP-IUCAKERBSA-N	1	1	379.100	1.929	10	0		GDAEMO
CCc1csc([C@H]2CCC[N@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)n1	ZINC000173603706	530633764	/nfs/dbraw/zinc/63/37/64/530633764.db2.gz	LAQSBLFIPLKNBA-ZDUSSCGKSA-N	1	1	383.543	1.597	10	0		GDAEMO
CCc1csc([C@H]2CCC[N@@H+](CCNS(=O)(=O)c3cnn(C)c3)C2)n1	ZINC000173603706	530633766	/nfs/dbraw/zinc/63/37/66/530633766.db2.gz	LAQSBLFIPLKNBA-ZDUSSCGKSA-N	1	1	383.543	1.597	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1C	ZINC000174294417	530646406	/nfs/dbraw/zinc/64/64/06/530646406.db2.gz	ISKOGOLZGRCJTI-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1C	ZINC000174294417	530646410	/nfs/dbraw/zinc/64/64/10/530646410.db2.gz	ISKOGOLZGRCJTI-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)n1	ZINC000179844135	530751133	/nfs/dbraw/zinc/75/11/33/530751133.db2.gz	ADRJFPSZIDGHQH-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)n1	ZINC000179844135	530751134	/nfs/dbraw/zinc/75/11/34/530751134.db2.gz	ADRJFPSZIDGHQH-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cnn3cc(Br)cnc23)cn1	ZINC000181435423	530783700	/nfs/dbraw/zinc/78/37/00/530783700.db2.gz	YRUBOIBPSNWKQG-ZDUSSCGKSA-N	1	1	390.245	1.012	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1	ZINC000181997794	530793292	/nfs/dbraw/zinc/79/32/92/530793292.db2.gz	CXQYXQYTZUTBDB-ZDUSSCGKSA-N	1	1	391.299	1.865	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)c3cc(Br)c[nH]3)CC2)C1	ZINC000109647545	530864119	/nfs/dbraw/zinc/86/41/19/530864119.db2.gz	MIIWCVJTCVVNKT-OAHLLOKOSA-N	1	1	399.333	1.644	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000113227758	530887595	/nfs/dbraw/zinc/88/75/95/530887595.db2.gz	WWBAZUBHZAYXNI-TZMCWYRMSA-N	1	1	378.523	1.684	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000113227784	530887806	/nfs/dbraw/zinc/88/78/06/530887806.db2.gz	HRRPMUDDQOGFGE-QWHCGFSZSA-N	1	1	385.917	1.899	10	0		GDAEMO
CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190501763	530931118	/nfs/dbraw/zinc/93/11/18/530931118.db2.gz	MMERAOLBWJRTAE-AWEZNQCLSA-N	1	1	388.559	1.350	10	0		GDAEMO
CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000190501763	530931119	/nfs/dbraw/zinc/93/11/19/530931119.db2.gz	MMERAOLBWJRTAE-AWEZNQCLSA-N	1	1	388.559	1.350	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1	ZINC000189479142	530913895	/nfs/dbraw/zinc/91/38/95/530913895.db2.gz	GZJFLSJIYDFJEL-NSHDSACASA-N	1	1	375.803	1.472	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1	ZINC000189478931	530914213	/nfs/dbraw/zinc/91/42/13/530914213.db2.gz	HUQAAPQGLMYSSL-GFCCVEGCSA-N	1	1	399.289	1.006	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000193491993	530987826	/nfs/dbraw/zinc/98/78/26/530987826.db2.gz	YUOQVDDYWDNDDU-ZDUSSCGKSA-N	1	1	392.257	1.979	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1	ZINC000195468059	531024011	/nfs/dbraw/zinc/02/40/11/531024011.db2.gz	DPKMTIQXIXAJFR-HNNXBMFYSA-N	1	1	397.317	1.962	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1N1CCOCC1	ZINC000246458616	531067422	/nfs/dbraw/zinc/06/74/22/531067422.db2.gz	NHXYSDGTPUYIIT-KYJSFNMBSA-N	1	1	399.329	1.841	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1	ZINC000247325877	531074652	/nfs/dbraw/zinc/07/46/52/531074652.db2.gz	MSIQMBNDGBMRFG-TZMCWYRMSA-N	1	1	380.539	1.834	10	0		GDAEMO
CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249306169	531086493	/nfs/dbraw/zinc/08/64/93/531086493.db2.gz	GRBDXDIGLRCJBK-UONOGXRCSA-N	1	1	392.315	1.698	10	0		GDAEMO
CC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249306169	531086495	/nfs/dbraw/zinc/08/64/95/531086495.db2.gz	GRBDXDIGLRCJBK-UONOGXRCSA-N	1	1	392.315	1.698	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C	ZINC000252352608	531090432	/nfs/dbraw/zinc/09/04/32/531090432.db2.gz	MFTZTMUQYNQKDJ-CABCVRRESA-N	1	1	398.345	1.794	10	0		GDAEMO
CC[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O	ZINC000252352749	531090544	/nfs/dbraw/zinc/09/05/44/531090544.db2.gz	MJDFMJGWRSDGJG-MAZHCROVSA-N	1	1	384.318	1.753	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000246965818	531071047	/nfs/dbraw/zinc/07/10/47/531071047.db2.gz	BURHWTYRIWYJAJ-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000246965818	531071049	/nfs/dbraw/zinc/07/10/49/531071049.db2.gz	BURHWTYRIWYJAJ-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000246965818	531071052	/nfs/dbraw/zinc/07/10/52/531071052.db2.gz	BURHWTYRIWYJAJ-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246960076	531071512	/nfs/dbraw/zinc/07/15/12/531071512.db2.gz	INEMOLYAUWFRQM-NEPJUHHUSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000246960076	531071514	/nfs/dbraw/zinc/07/15/14/531071514.db2.gz	INEMOLYAUWFRQM-NEPJUHHUSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)cc1	ZINC000154933562	531191962	/nfs/dbraw/zinc/19/19/62/531191962.db2.gz	OCMSIHLAVRMXRH-SWLSCSKDSA-N	1	1	380.286	1.874	10	0		GDAEMO
C[NH+](C)[C@@H]1CCN(C(=O)c2[nH]nc3ccc(I)cc32)C1	ZINC000408232036	531227547	/nfs/dbraw/zinc/22/75/47/531227547.db2.gz	LIEMEOKVMJUZJA-SNVBAGLBSA-N	1	1	384.221	1.944	10	0		GDAEMO
Cc1cc(N2CCN(c3cnn(C)c(=O)c3Br)CC2)nc(C)[nH+]1	ZINC000301231516	532030270	/nfs/dbraw/zinc/03/02/70/532030270.db2.gz	JBTGSTFZJKXTGA-UHFFFAOYSA-N	1	1	379.262	1.276	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2nnc3ccc(Br)cn32)C1	ZINC000333632819	532242847	/nfs/dbraw/zinc/24/28/47/532242847.db2.gz	HSWJRWUEUMAQQD-CMPLNLGQSA-N	1	1	381.278	2.342	10	0		GDAEMO
Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1	ZINC000404109885	532306052	/nfs/dbraw/zinc/30/60/52/532306052.db2.gz	JILCFMOHANRVDH-ZJUUUORDSA-N	1	1	381.317	1.570	10	0		GDAEMO
COc1cc(C)c(C[N@H+]2CCC[C@@H](n3cc(C(=O)NCCO)nn3)C2)cc1C	ZINC000011813038	221126578	/nfs/dbraw/zinc/12/65/78/221126578.db2.gz	RMZRCOBPCWUAHP-QGZVFWFLSA-N	1	1	387.484	1.463	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C	ZINC000173953643	644894943	/nfs/dbraw/zinc/89/49/43/644894943.db2.gz	RMDFIGWCAYYELQ-CHWSQXEVSA-N	1	1	399.285	1.554	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@H]1C	ZINC000173953643	644894946	/nfs/dbraw/zinc/89/49/46/644894946.db2.gz	RMDFIGWCAYYELQ-CHWSQXEVSA-N	1	1	399.285	1.554	10	0		GDAEMO
CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCS(=O)(=O)C(C)C)CC1	ZINC000190355099	645018774	/nfs/dbraw/zinc/01/87/74/645018774.db2.gz	ILILDLWWIXKNCX-UHFFFAOYSA-N	1	1	376.563	1.938	10	0		GDAEMO
CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173904712	530640017	/nfs/dbraw/zinc/64/00/17/530640017.db2.gz	ZYGBUXPZPFHBIV-INIZCTEOSA-N	1	1	396.329	1.814	10	0		GDAEMO
CN(CCNC(=O)N1CCC[N@H+](C2CC2)CC1)S(=O)(=O)c1cccs1	ZINC000178450728	530720723	/nfs/dbraw/zinc/72/07/23/530720723.db2.gz	ITYOOQROQPJYQY-UHFFFAOYSA-N	1	1	386.543	1.248	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1	ZINC000177607176	530705923	/nfs/dbraw/zinc/70/59/23/530705923.db2.gz	ZZIHMDWFORVOLU-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c(Br)c1	ZINC000177607176	530705926	/nfs/dbraw/zinc/70/59/26/530705926.db2.gz	ZZIHMDWFORVOLU-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC(C)c1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1Br	ZINC000181321335	530781848	/nfs/dbraw/zinc/78/18/48/530781848.db2.gz	FTNKPGLIEQXLAP-NSHDSACASA-N	1	1	381.278	1.816	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(I)cc2)cn1	ZINC000181418752	530782681	/nfs/dbraw/zinc/78/26/81/530782681.db2.gz	HKCJALFUZAWFAK-AWEZNQCLSA-N	1	1	396.232	1.811	10	0		GDAEMO
O=C1CNC(=O)N1CC[NH2+][C@H](c1ccc(Br)cc1)c1cncnc1	ZINC000187548397	530874821	/nfs/dbraw/zinc/87/48/21/530874821.db2.gz	ZJOGGSKZKDMQDP-OAHLLOKOSA-N	1	1	390.241	1.470	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1	ZINC000189461121	530913688	/nfs/dbraw/zinc/91/36/88/530913688.db2.gz	XRRQCOAVOPUIID-SNVBAGLBSA-N	1	1	375.803	1.472	10	0		GDAEMO
C[C@@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1	ZINC000193334458	530984018	/nfs/dbraw/zinc/98/40/18/530984018.db2.gz	GBQDYXYTUSSMBA-CYBMUJFWSA-N	1	1	397.317	1.973	10	0		GDAEMO
O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000195066230	531013902	/nfs/dbraw/zinc/01/39/02/531013902.db2.gz	YCFXOPZSCBLAIM-AWEZNQCLSA-N	1	1	378.523	1.686	10	0		GDAEMO
O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000195066230	531013905	/nfs/dbraw/zinc/01/39/05/531013905.db2.gz	YCFXOPZSCBLAIM-AWEZNQCLSA-N	1	1	378.523	1.686	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)CSCC(F)(F)F)CC2)C1	ZINC000127014845	531025807	/nfs/dbraw/zinc/02/58/07/531025807.db2.gz	WCWSLRAPAWWRPW-AWEZNQCLSA-N	1	1	383.480	1.535	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)s1	ZINC000131286412	531068975	/nfs/dbraw/zinc/06/89/75/531068975.db2.gz	MRTTZNJXKYGSIU-JSGCOSHPSA-N	1	1	386.543	1.213	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000247881690	531076766	/nfs/dbraw/zinc/07/67/66/531076766.db2.gz	ZKLAWJVBRBSXJN-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000247881690	531076768	/nfs/dbraw/zinc/07/67/68/531076768.db2.gz	ZKLAWJVBRBSXJN-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000247881690	531076771	/nfs/dbraw/zinc/07/67/71/531076771.db2.gz	ZKLAWJVBRBSXJN-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)cn1	ZINC000132055698	531077931	/nfs/dbraw/zinc/07/79/31/531077931.db2.gz	XCDXBDWLIWBWHA-MRXNPFEDSA-N	1	1	383.587	1.969	10	0		GDAEMO
CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CSCCS3)CC2)cn1	ZINC000132055698	531077935	/nfs/dbraw/zinc/07/79/35/531077935.db2.gz	XCDXBDWLIWBWHA-MRXNPFEDSA-N	1	1	383.587	1.969	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000249163970	531084950	/nfs/dbraw/zinc/08/49/50/531084950.db2.gz	JVOQXOXSSIIEIS-STQMWFEESA-N	1	1	381.274	1.868	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000246904320	531070441	/nfs/dbraw/zinc/07/04/41/531070441.db2.gz	FUOCHCFZPMGJAR-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@@H]1C	ZINC000246904320	531070442	/nfs/dbraw/zinc/07/04/42/531070442.db2.gz	FUOCHCFZPMGJAR-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)NC)ccc1Cl	ZINC000246936045	531071024	/nfs/dbraw/zinc/07/10/24/531071024.db2.gz	KICHULWCCZCGSQ-STQMWFEESA-N	1	1	385.917	1.947	10	0		GDAEMO
COCC[N@@H+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1C	ZINC000247016063	531071837	/nfs/dbraw/zinc/07/18/37/531071837.db2.gz	UJPNGUQZYLCQIY-XHDPSFHLSA-N	1	1	388.281	1.767	10	0		GDAEMO
COCC[N@H+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1C	ZINC000247016063	531071839	/nfs/dbraw/zinc/07/18/39/531071839.db2.gz	UJPNGUQZYLCQIY-XHDPSFHLSA-N	1	1	388.281	1.767	10	0		GDAEMO
C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@H](O)CN1CCOCC1	ZINC000152472043	531152132	/nfs/dbraw/zinc/15/21/32/531152132.db2.gz	YVJUYKLGCYNJOI-ZTFGCOKTSA-N	1	1	399.329	1.904	10	0		GDAEMO
C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@H](O)CN1CCOCC1	ZINC000152472043	531152133	/nfs/dbraw/zinc/15/21/33/531152133.db2.gz	YVJUYKLGCYNJOI-ZTFGCOKTSA-N	1	1	399.329	1.904	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000155555814	531201322	/nfs/dbraw/zinc/20/13/22/531201322.db2.gz	PYFNZWAJAGDCOM-CJNGLKHVSA-N	1	1	387.933	1.805	10	0		GDAEMO
C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270568559	531894119	/nfs/dbraw/zinc/89/41/19/531894119.db2.gz	MOKZKOKZUFPJTE-CZUORRHYSA-N	1	1	391.896	1.639	10	0		GDAEMO
C[N@H+]1CC[C@H](CNS(=O)(=O)N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270568559	531894122	/nfs/dbraw/zinc/89/41/22/531894122.db2.gz	MOKZKOKZUFPJTE-CZUORRHYSA-N	1	1	391.896	1.639	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CNC(=O)C1=CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000005107933	204112946	/nfs/dbraw/zinc/11/29/46/204112946.db2.gz	OYSNREZBFHNXKS-QGZVFWFLSA-N	1	1	377.510	1.608	10	0		GDAEMO
COc1ccc(-n2ncc([C@H]3N[C@](CO)(CCO)[C@H]4C[N@H+](C)C[C@H]43)c2C)cc1	ZINC000065508547	205236399	/nfs/dbraw/zinc/23/63/99/205236399.db2.gz	DFKLRJCITUHOIE-MHTWAQMVSA-N	1	1	386.496	1.125	10	0		GDAEMO
COc1ccc(-n2ncc([C@H]3N[C@](CO)(CCO)[C@H]4C[N@@H+](C)C[C@H]43)c2C)cc1	ZINC000065508547	205236403	/nfs/dbraw/zinc/23/64/03/205236403.db2.gz	DFKLRJCITUHOIE-MHTWAQMVSA-N	1	1	386.496	1.125	10	0		GDAEMO
O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2cnc3nccnc3c2)C1	ZINC000065226990	136160428	/nfs/dbraw/zinc/16/04/28/136160428.db2.gz	KIFRJGUBKSQABS-INIZCTEOSA-N	1	1	384.484	1.080	10	0		GDAEMO
CCn1c2ccccc2nc(N2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)c1=O	ZINC000064926615	536005982	/nfs/dbraw/zinc/00/59/82/536005982.db2.gz	KCBMLVLVPXSUPN-INIZCTEOSA-N	1	1	383.496	1.407	10	0		GDAEMO
Cn1nccc1[C@H]1[C@H](CNc2cnn(C)c(=O)c2Br)CCC[N@H+]1C	ZINC000328969756	645292144	/nfs/dbraw/zinc/29/21/44/645292144.db2.gz	UNCRWXWDWVRYPA-XHDPSFHLSA-N	1	1	395.305	1.771	10	0		GDAEMO
C[N@@H+](CCO)C1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1	ZINC000901227303	659204046	/nfs/dbraw/zinc/20/40/46/659204046.db2.gz	YCAPZFXIMPFKGN-UHFFFAOYSA-N	1	1	382.262	1.021	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000177219357	530699386	/nfs/dbraw/zinc/69/93/86/530699386.db2.gz	KKLBOUAWOQSKRU-OCCSQVGLSA-N	1	1	382.511	1.611	10	0		GDAEMO
O=C(Nc1cccc(I)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177696787	530709542	/nfs/dbraw/zinc/70/95/42/530709542.db2.gz	WWBWXIBXDQTJCS-ZDUSSCGKSA-N	1	1	399.232	1.536	10	0		GDAEMO
O=C(c1ccc(Br)cc1-n1cncn1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000179342185	530738648	/nfs/dbraw/zinc/73/86/48/530738648.db2.gz	ABGHLHSJRMKJGQ-CYBMUJFWSA-N	1	1	376.258	1.950	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccncc2I)cn1	ZINC000181448293	530783778	/nfs/dbraw/zinc/78/37/78/530783778.db2.gz	GJGPCBKLAZOTPO-ZDUSSCGKSA-N	1	1	397.220	1.206	10	0		GDAEMO
COc1cc(Br)cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000185778713	530846833	/nfs/dbraw/zinc/84/68/33/530846833.db2.gz	HOKUOHLBDWCEQN-GFCCVEGCSA-N	1	1	375.288	1.926	10	0		GDAEMO
CCOCC[N@@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C	ZINC000106111484	530846922	/nfs/dbraw/zinc/84/69/22/530846922.db2.gz	SVQKERIHOAFWEX-ZDUSSCGKSA-N	1	1	385.306	1.825	10	0		GDAEMO
CCOCC[N@H+]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@@H]1C	ZINC000106111484	530846925	/nfs/dbraw/zinc/84/69/25/530846925.db2.gz	SVQKERIHOAFWEX-ZDUSSCGKSA-N	1	1	385.306	1.825	10	0		GDAEMO
CN1CC[NH+]([C@H]2CCCCN(C(=O)C(=O)Nc3ccsc3Cl)C2)CC1	ZINC000190909947	530940137	/nfs/dbraw/zinc/94/01/37/530940137.db2.gz	AMBKGPZDYMOLNR-ZDUSSCGKSA-N	1	1	384.933	1.969	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000194272473	531002019	/nfs/dbraw/zinc/00/20/19/531002019.db2.gz	OLVHMCOFPDYJAA-HOCLYGCPSA-N	1	1	383.286	1.668	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1	ZINC000248598713	531080158	/nfs/dbraw/zinc/08/01/58/531080158.db2.gz	ULOAWOUYCDCGAT-ZIAGYGMSSA-N	1	1	376.906	1.402	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1	ZINC000248598713	531080160	/nfs/dbraw/zinc/08/01/60/531080160.db2.gz	ULOAWOUYCDCGAT-ZIAGYGMSSA-N	1	1	376.906	1.402	10	0		GDAEMO
C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1C[C@@H](O)CN1CCOCC1	ZINC000252773912	531091008	/nfs/dbraw/zinc/09/10/08/531091008.db2.gz	YVJUYKLGCYNJOI-FHLIZLRMSA-N	1	1	399.329	1.904	10	0		GDAEMO
C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1C[C@@H](O)CN1CCOCC1	ZINC000252773912	531091010	/nfs/dbraw/zinc/09/10/10/531091010.db2.gz	YVJUYKLGCYNJOI-FHLIZLRMSA-N	1	1	399.329	1.904	10	0		GDAEMO
C[N@H+]1CCC[C@@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)CC[C@H]21	ZINC000247017987	531072047	/nfs/dbraw/zinc/07/20/47/531072047.db2.gz	RAIYJGICASGNKW-VXGBXAGGSA-N	1	1	384.274	1.715	10	0		GDAEMO
C[C@@H]1C[N@H+](C)CCN1C(=O)c1n[nH]c2ccc(I)cc21	ZINC000408243630	531228755	/nfs/dbraw/zinc/22/87/55/531228755.db2.gz	IXUFGFPOCALIGG-SECBINFHSA-N	1	1	384.221	1.944	10	0		GDAEMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)c1n[nH]c2ccc(I)cc21	ZINC000408243630	531228756	/nfs/dbraw/zinc/22/87/56/531228756.db2.gz	IXUFGFPOCALIGG-SECBINFHSA-N	1	1	384.221	1.944	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1	ZINC000408460800	531243587	/nfs/dbraw/zinc/24/35/87/531243587.db2.gz	RGXGEBZWLITORQ-WCQYABFASA-N	1	1	380.388	1.505	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1	ZINC000408460800	531243591	/nfs/dbraw/zinc/24/35/91/531243591.db2.gz	RGXGEBZWLITORQ-WCQYABFASA-N	1	1	380.388	1.505	10	0		GDAEMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2I)C1	ZINC000611000477	531521011	/nfs/dbraw/zinc/52/10/11/531521011.db2.gz	WUHYXISRYGJTNJ-JTQLQIEISA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc(F)c2I)C1	ZINC000611000477	531521018	/nfs/dbraw/zinc/52/10/18/531521018.db2.gz	WUHYXISRYGJTNJ-JTQLQIEISA-N	1	1	392.212	1.881	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]c4ccc(Br)cc43)[C@@H]2C1	ZINC000285942072	532121949	/nfs/dbraw/zinc/12/19/49/532121949.db2.gz	VRSFBGMRLULPRL-KGLIPLIRSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@@H]2C1	ZINC000285942072	532121952	/nfs/dbraw/zinc/12/19/52/532121952.db2.gz	VRSFBGMRLULPRL-KGLIPLIRSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@@H]2C1	ZINC000285942072	532121956	/nfs/dbraw/zinc/12/19/56/532121956.db2.gz	VRSFBGMRLULPRL-KGLIPLIRSA-N	1	1	379.258	1.871	10	0		GDAEMO
CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000012317047	204395926	/nfs/dbraw/zinc/39/59/26/204395926.db2.gz	GFBCFULLDHPVJH-SFHVURJKSA-N	1	1	383.496	1.868	10	0		GDAEMO
CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000012317047	204395929	/nfs/dbraw/zinc/39/59/29/204395929.db2.gz	GFBCFULLDHPVJH-SFHVURJKSA-N	1	1	383.496	1.868	10	0		GDAEMO
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1	ZINC000045966765	205099805	/nfs/dbraw/zinc/09/98/05/205099805.db2.gz	YPQMEOWSJQMOFR-HXUWFJFHSA-N	1	1	386.540	1.743	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1	ZINC000045966765	205099810	/nfs/dbraw/zinc/09/98/10/205099810.db2.gz	YPQMEOWSJQMOFR-HXUWFJFHSA-N	1	1	386.540	1.743	10	0		GDAEMO
COc1ccc(CN2CCCCO2)cc1OC[C@@H](O)C[NH+]1CCN(C)CC1	ZINC000020539210	570266316	/nfs/dbraw/zinc/26/63/16/570266316.db2.gz	MUPGKKLVHWZUOV-SFHVURJKSA-N	1	1	379.501	1.210	10	0		GDAEMO
CN1CC[NH+](CCCNC(=O)c2cn3ccnc(-c4ccc(F)cc4)c3n2)CC1	ZINC000065274521	570776998	/nfs/dbraw/zinc/77/69/98/570776998.db2.gz	JYJUFQFFZYMFKC-UHFFFAOYSA-N	1	1	396.470	1.903	10	0		GDAEMO
CCN(CCc1nc2cc(OC)ccc2[nH]1)C(=O)C1CC[NH+](CC(N)=O)CC1	ZINC000091706971	571026840	/nfs/dbraw/zinc/02/68/40/571026840.db2.gz	SYBPEWAQCKBITF-UHFFFAOYSA-N	1	1	387.484	1.160	10	0		GDAEMO
CC[C@H]1CN(Cn2nnn(Cc3cccs3)c2=S)CC[N@H+]1CCOC	ZINC000117324660	644650379	/nfs/dbraw/zinc/65/03/79/644650379.db2.gz	PKOGHQLHHBGCTF-AWEZNQCLSA-N	1	1	382.559	1.919	10	0		GDAEMO
Cn1cc(C[NH2+][C@H]2CCO[C@@H]2c2ccnn2C)c(I)n1	ZINC000894730734	658601070	/nfs/dbraw/zinc/60/10/70/658601070.db2.gz	DDIGXESXYMVZGO-JQWIXIFHSA-N	1	1	387.225	1.378	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1	ZINC000172172894	530609441	/nfs/dbraw/zinc/60/94/41/530609441.db2.gz	NVABLZRPMDROMX-PWECECGKSA-N	1	1	385.917	1.758	10	0		GDAEMO
[NH2+]=C1NC(N[C@H](O)C(Cl)(Cl)Cl)=N[C@@H](C(Cl)(Cl)Cl)O1	ZINC000035145045	530613301	/nfs/dbraw/zinc/61/33/01/530613301.db2.gz	BSVICRCRIMOVHK-JCYAYHJZSA-N	1	1	378.858	1.871	10	0		GDAEMO
CCc1csc([C@H]2CCC[N@H+](CCNS(=O)(=O)CCCOC)C2)n1	ZINC000175147529	530659332	/nfs/dbraw/zinc/65/93/32/530659332.db2.gz	HVWHHMPLMMPWFX-AWEZNQCLSA-N	1	1	375.560	1.841	10	0		GDAEMO
CCc1csc([C@H]2CCC[N@@H+](CCNS(=O)(=O)CCCOC)C2)n1	ZINC000175147529	530659335	/nfs/dbraw/zinc/65/93/35/530659335.db2.gz	HVWHHMPLMMPWFX-AWEZNQCLSA-N	1	1	375.560	1.841	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000176991914	530695537	/nfs/dbraw/zinc/69/55/37/530695537.db2.gz	DADVFYOTAHBVGE-NSHDSACASA-N	1	1	379.935	1.623	10	0		GDAEMO
O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177687984	530709021	/nfs/dbraw/zinc/70/90/21/530709021.db2.gz	ZDCYQDCCIZJZHT-JTQLQIEISA-N	1	1	388.212	1.972	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cc(C)sc2C)C1	ZINC000178962298	530732420	/nfs/dbraw/zinc/73/24/20/530732420.db2.gz	DDLYOZYAJAOQHV-AWEZNQCLSA-N	1	1	388.559	1.427	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1C[C@@H](C)O	ZINC000179844358	530751069	/nfs/dbraw/zinc/75/10/69/530751069.db2.gz	VWVKORYYTSMXSV-NEPJUHHUSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1C[C@@H](C)O	ZINC000179844358	530751071	/nfs/dbraw/zinc/75/10/71/530751071.db2.gz	VWVKORYYTSMXSV-NEPJUHHUSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1	ZINC000181236077	530780085	/nfs/dbraw/zinc/78/00/85/530780085.db2.gz	NKHYOWXTAZZLBH-LBPRGKRZSA-N	1	1	387.278	1.068	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1	ZINC000190513434	530931579	/nfs/dbraw/zinc/93/15/79/530931579.db2.gz	OKHXYTAUOGYICJ-OAHLLOKOSA-N	1	1	387.571	1.803	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)CC(C)C)C1	ZINC000190513434	530931583	/nfs/dbraw/zinc/93/15/83/530931583.db2.gz	OKHXYTAUOGYICJ-OAHLLOKOSA-N	1	1	387.571	1.803	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)CC1	ZINC000189451015	530912911	/nfs/dbraw/zinc/91/29/11/530912911.db2.gz	UWVDCLIRYUIOOR-CQSZACIVSA-N	1	1	398.301	1.611	10	0		GDAEMO
[NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000190197488	530927016	/nfs/dbraw/zinc/92/70/16/530927016.db2.gz	QKJFDDKNNACLFB-LLVKDONJSA-N	1	1	395.859	1.451	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000194326366	531003247	/nfs/dbraw/zinc/00/32/47/531003247.db2.gz	UDWSDOVTWGFRCQ-WBMJQRKESA-N	1	1	383.286	1.932	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000194326366	531003250	/nfs/dbraw/zinc/00/32/50/531003250.db2.gz	UDWSDOVTWGFRCQ-WBMJQRKESA-N	1	1	383.286	1.932	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)s1	ZINC000131286615	531068860	/nfs/dbraw/zinc/06/88/60/531068860.db2.gz	MRTTZNJXKYGSIU-GXTWGEPZSA-N	1	1	386.543	1.213	10	0		GDAEMO
CN(CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)S(=O)(=O)c1cccs1	ZINC000130739821	531063960	/nfs/dbraw/zinc/06/39/60/531063960.db2.gz	JSCGVOWRLSZXND-CQSZACIVSA-N	1	1	386.543	1.248	10	0		GDAEMO
CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O	ZINC000128118456	531037339	/nfs/dbraw/zinc/03/73/39/531037339.db2.gz	UQFOTKFFPVBQAL-QMMMGPOBSA-N	1	1	385.251	1.979	10	0		GDAEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1	ZINC000247521121	531075610	/nfs/dbraw/zinc/07/56/10/531075610.db2.gz	OBEDAOQGUMWKMO-RHSMWYFYSA-N	1	1	386.539	1.585	10	0		GDAEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1	ZINC000247521121	531075612	/nfs/dbraw/zinc/07/56/12/531075612.db2.gz	OBEDAOQGUMWKMO-RHSMWYFYSA-N	1	1	386.539	1.585	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247606253	531076240	/nfs/dbraw/zinc/07/62/40/531076240.db2.gz	LSXCZJNKEOFWNL-NVXWUHKLSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247606253	531076245	/nfs/dbraw/zinc/07/62/45/531076245.db2.gz	LSXCZJNKEOFWNL-NVXWUHKLSA-N	1	1	396.285	1.786	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000154196975	531179137	/nfs/dbraw/zinc/17/91/37/531179137.db2.gz	CNFXJOJRTRFKDT-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000154196975	531179142	/nfs/dbraw/zinc/17/91/42/531179142.db2.gz	CNFXJOJRTRFKDT-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000408112199	531220043	/nfs/dbraw/zinc/22/00/43/531220043.db2.gz	JFCFFZYJAJLPTQ-JTQLQIEISA-N	1	1	380.242	1.208	10	0		GDAEMO
C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000408112199	531220047	/nfs/dbraw/zinc/22/00/47/531220047.db2.gz	JFCFFZYJAJLPTQ-JTQLQIEISA-N	1	1	380.242	1.208	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc(Br)cc43)[C@@H]2C1	ZINC000285942079	532121440	/nfs/dbraw/zinc/12/14/40/532121440.db2.gz	VRSFBGMRLULPRL-ZIAGYGMSSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@@H]2C1	ZINC000285942079	532121444	/nfs/dbraw/zinc/12/14/44/532121444.db2.gz	VRSFBGMRLULPRL-ZIAGYGMSSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@@H]2C1	ZINC000285942079	532121446	/nfs/dbraw/zinc/12/14/46/532121446.db2.gz	VRSFBGMRLULPRL-ZIAGYGMSSA-N	1	1	379.258	1.871	10	0		GDAEMO
COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2O)ccc1OCc1cccc(F)c1	ZINC000032519439	207397887	/nfs/dbraw/zinc/39/78/87/207397887.db2.gz	KQUHPAPWOCDDNU-IAGOWNOFSA-N	1	1	395.452	1.661	10	0		GDAEMO
Cc1cc(C)n(C(=O)C2CCN(c3cc(N4CC[NH+](C)CC4)ncn3)CC2)n1	ZINC000067172746	136164390	/nfs/dbraw/zinc/16/43/90/136164390.db2.gz	KEVSRPOLSAKDLY-UHFFFAOYSA-N	1	1	383.500	1.599	10	0		GDAEMO
COc1cccc(-n2cc(-c3ccnc(N4CC[NH+](CCO)CC4)n3)cn2)c1	ZINC000048255098	570223921	/nfs/dbraw/zinc/22/39/21/570223921.db2.gz	NMSWMXNCPDWQKI-UHFFFAOYSA-N	1	1	380.452	1.452	10	0		GDAEMO
COCCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@H](C)O	ZINC000036207562	570569183	/nfs/dbraw/zinc/56/91/83/570569183.db2.gz	KYGZIWKVXFFMLZ-JTQLQIEISA-N	1	1	383.470	1.299	10	0		GDAEMO
COCCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1)C[C@H](C)O	ZINC000036207562	570569188	/nfs/dbraw/zinc/56/91/88/570569188.db2.gz	KYGZIWKVXFFMLZ-JTQLQIEISA-N	1	1	383.470	1.299	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000897747747	658886194	/nfs/dbraw/zinc/88/61/94/658886194.db2.gz	NVJFMDGJNFYGBD-GRYCIOLGSA-N	1	1	385.452	1.140	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000897747747	658886200	/nfs/dbraw/zinc/88/62/00/658886200.db2.gz	NVJFMDGJNFYGBD-GRYCIOLGSA-N	1	1	385.452	1.140	10	0		GDAEMO
O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1	ZINC000171903734	530604763	/nfs/dbraw/zinc/60/47/63/530604763.db2.gz	KZLDXJOFZXUWEI-HNNXBMFYSA-N	1	1	395.301	1.669	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)NC)ccc1Cl	ZINC000174986839	530656987	/nfs/dbraw/zinc/65/69/87/530656987.db2.gz	KICHULWCCZCGSQ-CHWSQXEVSA-N	1	1	385.917	1.947	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000175013036	530657920	/nfs/dbraw/zinc/65/79/20/530657920.db2.gz	NROXMFFLVSQSBS-NWDGAFQWSA-N	1	1	379.262	1.586	10	0		GDAEMO
COc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000177689159	530709122	/nfs/dbraw/zinc/70/91/22/530709122.db2.gz	ZTZZVVSRKXPWLX-LLVKDONJSA-N	1	1	382.258	1.703	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccccc2I)cn1	ZINC000181364129	530782355	/nfs/dbraw/zinc/78/23/55/530782355.db2.gz	OIPLXJHKRSGIMM-AWEZNQCLSA-N	1	1	396.232	1.811	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1	ZINC000181872681	530791945	/nfs/dbraw/zinc/79/19/45/530791945.db2.gz	MNPQRLGOEQOHGZ-NSHDSACASA-N	1	1	380.436	1.803	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C	ZINC000182034991	530793145	/nfs/dbraw/zinc/79/31/45/530793145.db2.gz	JHXJAFJHZATVBM-GHMZBOCLSA-N	1	1	387.278	1.067	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1C	ZINC000182016925	530793526	/nfs/dbraw/zinc/79/35/26/530793526.db2.gz	RDMMKRWRIYGKPY-GHMZBOCLSA-N	1	1	387.278	1.067	10	0		GDAEMO
NC(=O)NC(=O)C[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1	ZINC000101916716	530826087	/nfs/dbraw/zinc/82/60/87/530826087.db2.gz	RIZVTPJGUXHNMT-UHFFFAOYSA-N	1	1	383.246	1.295	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2csc(I)c2)CC1	ZINC000107597353	530854776	/nfs/dbraw/zinc/85/47/76/530854776.db2.gz	WHCMRZBTWHTLLG-LLVKDONJSA-N	1	1	394.278	1.881	10	0		GDAEMO
O=C(NCCNC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(Br)c1	ZINC000105217927	530842261	/nfs/dbraw/zinc/84/22/61/530842261.db2.gz	XSJMPCWSQNISJZ-UHFFFAOYSA-N	1	1	395.301	1.669	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Br	ZINC000193458192	530987082	/nfs/dbraw/zinc/98/70/82/530987082.db2.gz	MMOLZKVGMYWXLE-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Br	ZINC000193458192	530987084	/nfs/dbraw/zinc/98/70/84/530987084.db2.gz	MMOLZKVGMYWXLE-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C[C@@H](C)O	ZINC000193471781	530987281	/nfs/dbraw/zinc/98/72/81/530987281.db2.gz	AKQYIHUUUARSIT-DGCLKSJQSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1C[C@@H](C)O	ZINC000193471781	530987282	/nfs/dbraw/zinc/98/72/82/530987282.db2.gz	AKQYIHUUUARSIT-DGCLKSJQSA-N	1	1	399.289	1.086	10	0		GDAEMO
C[N@H+]1CCC[C@H]2CN(C(=O)NCCNS(=O)(=O)c3cccs3)CC[C@H]21	ZINC000246133960	531063596	/nfs/dbraw/zinc/06/35/96/531063596.db2.gz	RFHVQNGKUCXYIX-UONOGXRCSA-N	1	1	386.543	1.152	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000132815580	531084368	/nfs/dbraw/zinc/08/43/68/531084368.db2.gz	PNSDFORQBHDSJZ-WDEREUQCSA-N	1	1	389.880	1.825	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)[C@H](C)C1	ZINC000253355864	531092217	/nfs/dbraw/zinc/09/22/17/531092217.db2.gz	VXAGFUAVNZOMAE-IJEWVQPXSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc(I)c2)C[C@@H]1C	ZINC000246895228	531070764	/nfs/dbraw/zinc/07/07/64/531070764.db2.gz	XJAWHGDSQFAZJM-UWVGGRQHSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2csc(I)c2)C[C@@H]1C	ZINC000246895228	531070765	/nfs/dbraw/zinc/07/07/65/531070765.db2.gz	XJAWHGDSQFAZJM-UWVGGRQHSA-N	1	1	394.278	1.880	10	0		GDAEMO
O=C(CNC(=O)c1ccc(Br)cc1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000154318754	531181331	/nfs/dbraw/zinc/18/13/31/531181331.db2.gz	CXXAZDIUDWXFRR-HNNXBMFYSA-N	1	1	380.286	1.876	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc4nc[nH]c43)[C@@H]2C1	ZINC000284999561	532017095	/nfs/dbraw/zinc/01/70/95/532017095.db2.gz	NCYMGZZOHYTDGU-ZIAGYGMSSA-N	1	1	379.258	1.871	10	0		GDAEMO
Cc1[nH+]ccn1-c1cc(NCCNS(=O)(=O)c2ccc(F)cc2)ncn1	ZINC000082230295	208084646	/nfs/dbraw/zinc/08/46/46/208084646.db2.gz	JQAFZRKHZKUXKO-UHFFFAOYSA-N	1	1	376.417	1.500	10	0		GDAEMO
CCc1noc2ncc(S(=O)(=O)N(C)C[C@H]3CCc4[nH+]ccn4C3)cc12	ZINC000328636478	570779393	/nfs/dbraw/zinc/77/93/93/570779393.db2.gz	VMMPTIBBHKTTRX-GFCCVEGCSA-N	1	1	375.454	1.865	10	0		GDAEMO
CC(=O)N(c1nn(CN2CC[C@H]([NH+]3CCOCC3)C2)c(=S)s1)C1CC1	ZINC000172962147	644886261	/nfs/dbraw/zinc/88/62/61/644886261.db2.gz	PVMSTNXSQXVVEM-AWEZNQCLSA-N	1	1	383.543	1.553	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCOC[C@@H]1C	ZINC000301437185	645235294	/nfs/dbraw/zinc/23/52/94/645235294.db2.gz	MYGOXAJKRWOHMU-MNOVXSKESA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@H+]1CCOC[C@@H]1C	ZINC000301437185	645235300	/nfs/dbraw/zinc/23/53/00/645235300.db2.gz	MYGOXAJKRWOHMU-MNOVXSKESA-N	1	1	381.420	1.874	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)s1	ZINC000329109682	645296882	/nfs/dbraw/zinc/29/68/82/645296882.db2.gz	QBDYDIBMZDXYFM-LSDHHAIUSA-N	1	1	385.555	1.620	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C(=O)NC2CC2)cc1	ZINC000129093040	1119787838	/nfs/dbraw/zinc/78/78/38/1119787838.db2.gz	ODMMRGAIMJAJPR-NRFANRHFSA-N	1	1	393.487	1.728	10	0		GDAEMO
CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)CC2	ZINC000162113716	530565991	/nfs/dbraw/zinc/56/59/91/530565991.db2.gz	SAFRYAYXAYCVRA-WFASDCNBSA-N	1	1	378.274	1.734	10	0		GDAEMO
Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)COc1cccc(Br)c1)CC2	ZINC000172791131	530617603	/nfs/dbraw/zinc/61/76/03/530617603.db2.gz	SLSCZZMVZHQDFX-AWEZNQCLSA-N	1	1	394.269	1.341	10	0		GDAEMO
O=C(c1cccn2c(I)cnc12)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177200437	530698563	/nfs/dbraw/zinc/69/85/63/530698563.db2.gz	AZQZAYAFJIAWPY-LLVKDONJSA-N	1	1	396.232	1.859	10	0		GDAEMO
COc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000177689172	530708955	/nfs/dbraw/zinc/70/89/55/530708955.db2.gz	ZTZZVVSRKXPWLX-NSHDSACASA-N	1	1	382.258	1.703	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2COc3ccc(Br)cc32)cn1	ZINC000181438105	530783696	/nfs/dbraw/zinc/78/36/96/530783696.db2.gz	SNQOPGPNUHIUGD-CABCVRRESA-N	1	1	391.269	1.832	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1	ZINC000115870998	530901910	/nfs/dbraw/zinc/90/19/10/530901910.db2.gz	NVABLZRPMDROMX-HWRSSNJWSA-N	1	1	385.917	1.758	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1	ZINC000188144488	530886441	/nfs/dbraw/zinc/88/64/41/530886441.db2.gz	OEMPDKIIJBPKCE-LBPRGKRZSA-N	1	1	386.290	1.690	10	0		GDAEMO
CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190505177	530931710	/nfs/dbraw/zinc/93/17/10/530931710.db2.gz	FVESMDANACKIMM-INIZCTEOSA-N	1	1	376.563	1.938	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1C	ZINC000117282201	530911996	/nfs/dbraw/zinc/91/19/96/530911996.db2.gz	NWRRRTFQCVXSIV-CYBMUJFWSA-N	1	1	386.290	1.180	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@H]1C	ZINC000117282201	530911997	/nfs/dbraw/zinc/91/19/97/530911997.db2.gz	NWRRRTFQCVXSIV-CYBMUJFWSA-N	1	1	386.290	1.180	10	0		GDAEMO
O=S(=O)(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000121384499	530955833	/nfs/dbraw/zinc/95/58/33/530955833.db2.gz	NZVJRSOFYDIIHP-HUUCEWRRSA-N	1	1	381.885	1.649	10	0		GDAEMO
O=S(=O)(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000121384499	530955835	/nfs/dbraw/zinc/95/58/35/530955835.db2.gz	NZVJRSOFYDIIHP-HUUCEWRRSA-N	1	1	381.885	1.649	10	0		GDAEMO
Cn1c2ccc(C[N@@H+]3CC[C@H](S(=O)(=O)N4CCCC4)C3)cc2sc1=O	ZINC000192627516	530970428	/nfs/dbraw/zinc/97/04/28/530970428.db2.gz	HPTWGYLCYZLZLW-AWEZNQCLSA-N	1	1	381.523	1.600	10	0		GDAEMO
Cn1c2ccc(C[N@H+]3CC[C@H](S(=O)(=O)N4CCCC4)C3)cc2sc1=O	ZINC000192627516	530970430	/nfs/dbraw/zinc/97/04/30/530970430.db2.gz	HPTWGYLCYZLZLW-AWEZNQCLSA-N	1	1	381.523	1.600	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@H+]3CCC[C@@H]3C2)s1	ZINC000195328026	531020520	/nfs/dbraw/zinc/02/05/20/531020520.db2.gz	YFCQYFOGOZEAQS-HUUCEWRRSA-N	1	1	383.539	1.516	10	0		GDAEMO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC000249035253	531084078	/nfs/dbraw/zinc/08/40/78/531084078.db2.gz	MNNDNQKHKNHQOH-RHSMWYFYSA-N	1	1	390.933	1.746	10	0		GDAEMO
COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Cl)C1	ZINC000249035253	531084081	/nfs/dbraw/zinc/08/40/81/531084081.db2.gz	MNNDNQKHKNHQOH-RHSMWYFYSA-N	1	1	390.933	1.746	10	0		GDAEMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000249825163	531089832	/nfs/dbraw/zinc/08/98/32/531089832.db2.gz	JLKNRZDSZLNCNP-QWRGUYRKSA-N	1	1	386.315	1.936	10	0		GDAEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)C1	ZINC000155555936	531201135	/nfs/dbraw/zinc/20/11/35/531201135.db2.gz	PYFNZWAJAGDCOM-BBRMVZONSA-N	1	1	387.933	1.805	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1	ZINC000408460798	531243879	/nfs/dbraw/zinc/24/38/79/531243879.db2.gz	RGXGEBZWLITORQ-AAEUAGOBSA-N	1	1	380.388	1.505	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])[C@H]2C1	ZINC000408460798	531243881	/nfs/dbraw/zinc/24/38/81/531243881.db2.gz	RGXGEBZWLITORQ-AAEUAGOBSA-N	1	1	380.388	1.505	10	0		GDAEMO
C[N@@H+]1CC[C@@H](CNS(=O)(=O)N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270568560	531894796	/nfs/dbraw/zinc/89/47/96/531894796.db2.gz	MOKZKOKZUFPJTE-XJKSGUPXSA-N	1	1	391.896	1.639	10	0		GDAEMO
C[N@H+]1CC[C@@H](CNS(=O)(=O)N2CCOCC2)[C@H]1c1ccc(Cl)c(F)c1	ZINC000270568560	531894802	/nfs/dbraw/zinc/89/48/02/531894802.db2.gz	MOKZKOKZUFPJTE-XJKSGUPXSA-N	1	1	391.896	1.639	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@@H]2C1	ZINC000284356275	531952218	/nfs/dbraw/zinc/95/22/18/531952218.db2.gz	AXJPWRXXEAORBJ-OCCSQVGLSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@@H]2C1	ZINC000284356275	531952222	/nfs/dbraw/zinc/95/22/22/531952222.db2.gz	AXJPWRXXEAORBJ-OCCSQVGLSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1cccc(Cl)c1	ZINC000333384976	532232337	/nfs/dbraw/zinc/23/23/37/532232337.db2.gz	NZLFISRZBSNJHU-LBPRGKRZSA-N	1	1	386.905	1.030	10	0		GDAEMO
Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1	ZINC000404109881	532306078	/nfs/dbraw/zinc/30/60/78/532306078.db2.gz	JILCFMOHANRVDH-VHSXEESVSA-N	1	1	381.317	1.570	10	0		GDAEMO
CC[C@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2	ZINC000011788339	570582937	/nfs/dbraw/zinc/58/29/37/570582937.db2.gz	PCPMUOBKONUHHJ-HNNXBMFYSA-N	1	1	383.496	1.934	10	0		GDAEMO
CC(C)N1CCn2nc(C(=O)N3CCCC[C@@H]3CC[NH+]3CCOCC3)cc2C1	ZINC000065502287	570771032	/nfs/dbraw/zinc/77/10/32/570771032.db2.gz	ZIVVFUDCWOHKRS-GOSISDBHSA-N	1	1	389.544	1.824	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1	ZINC000583623155	570801530	/nfs/dbraw/zinc/80/15/30/570801530.db2.gz	VEFQFHHQQZGNKC-USXIJHARSA-N	1	1	376.505	1.065	10	0		GDAEMO
CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)[C@@H]1c1cnn(C)c1	ZINC000583622205	570802430	/nfs/dbraw/zinc/80/24/30/570802430.db2.gz	ZBIOUZUTZVWFAG-MGPUTAFESA-N	1	1	383.500	1.661	10	0		GDAEMO
CC[N@@H+]1CCC[C@@H](CN(C)Cc2cc(=O)n3nccc3[nH]2)[C@@H]1c1cnn(C)c1	ZINC000583622205	570802433	/nfs/dbraw/zinc/80/24/33/570802433.db2.gz	ZBIOUZUTZVWFAG-MGPUTAFESA-N	1	1	383.500	1.661	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)Cc2cc(=O)n3nccc3[nH]2)[C@@H]1c1cnn(C)c1	ZINC000583622205	570802436	/nfs/dbraw/zinc/80/24/36/570802436.db2.gz	ZBIOUZUTZVWFAG-MGPUTAFESA-N	1	1	383.500	1.661	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(Cn3cc(Br)cn3)CC2)C1	ZINC000117325625	644650359	/nfs/dbraw/zinc/65/03/59/644650359.db2.gz	AGSRURNXLXWYJU-MRXNPFEDSA-N	1	1	386.338	1.330	10	0		GDAEMO
C[C@@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@@H](C(N)=O)O1	ZINC000120286772	644669616	/nfs/dbraw/zinc/66/96/16/644669616.db2.gz	SYXDDCJAUQRWFP-YGRLFVJLSA-N	1	1	380.242	1.296	10	0		GDAEMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000246860768	645096421	/nfs/dbraw/zinc/09/64/21/645096421.db2.gz	SKKYVKDCYPCVJS-SWLSCSKDSA-N	1	1	386.905	1.338	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000162152733	530566761	/nfs/dbraw/zinc/56/67/61/530566761.db2.gz	HMNPKBSVCPHXBL-ZDUSSCGKSA-N	1	1	394.273	1.992	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000162152733	530566764	/nfs/dbraw/zinc/56/67/64/530566764.db2.gz	HMNPKBSVCPHXBL-ZDUSSCGKSA-N	1	1	394.273	1.992	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000170939001	530591876	/nfs/dbraw/zinc/59/18/76/530591876.db2.gz	ZKLAWJVBRBSXJN-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000170939001	530591878	/nfs/dbraw/zinc/59/18/78/530591878.db2.gz	ZKLAWJVBRBSXJN-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000170939001	530591880	/nfs/dbraw/zinc/59/18/80/530591880.db2.gz	ZKLAWJVBRBSXJN-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000171511147	530600195	/nfs/dbraw/zinc/60/01/95/530600195.db2.gz	MJNNATLJUXFKBY-WBVHZDCISA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000171511147	530600199	/nfs/dbraw/zinc/60/01/99/530600199.db2.gz	MJNNATLJUXFKBY-WBVHZDCISA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173905154	530639791	/nfs/dbraw/zinc/63/97/91/530639791.db2.gz	FPCLTKAKSYCDFT-JKSUJKDBSA-N	1	1	385.302	1.595	10	0		GDAEMO
CN(Cc1ccccc1Br)C(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000173904727	530640065	/nfs/dbraw/zinc/64/00/65/530640065.db2.gz	ZYGBUXPZPFHBIV-MRXNPFEDSA-N	1	1	396.329	1.814	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000174027351	530642448	/nfs/dbraw/zinc/64/24/48/530642448.db2.gz	QIQWVVWFXWEGJE-SJORKVTESA-N	1	1	399.329	1.985	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000177617048	530707076	/nfs/dbraw/zinc/70/70/76/530707076.db2.gz	PYBFIEAEKNDHKH-DOMZBBRYSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000177617048	530707080	/nfs/dbraw/zinc/70/70/80/530707080.db2.gz	PYBFIEAEKNDHKH-DOMZBBRYSA-N	1	1	398.301	1.691	10	0		GDAEMO
CS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1Br	ZINC000179497497	530743044	/nfs/dbraw/zinc/74/30/44/530743044.db2.gz	DAZBKLACXCTHPH-GFCCVEGCSA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1ccc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1Br	ZINC000179497497	530743048	/nfs/dbraw/zinc/74/30/48/530743048.db2.gz	DAZBKLACXCTHPH-GFCCVEGCSA-N	1	1	387.299	1.773	10	0		GDAEMO
Cc1nc(C)c(S(=O)(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)s1	ZINC000178588468	530723159	/nfs/dbraw/zinc/72/31/59/530723159.db2.gz	ARNXYDBUGUERGD-INIZCTEOSA-N	1	1	381.523	1.457	10	0		GDAEMO
Cc1nc(C)c(S(=O)(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)s1	ZINC000178588468	530723160	/nfs/dbraw/zinc/72/31/60/530723160.db2.gz	ARNXYDBUGUERGD-INIZCTEOSA-N	1	1	381.523	1.457	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C	ZINC000180123979	530758859	/nfs/dbraw/zinc/75/88/59/530758859.db2.gz	MBKMRMGIFCRUFK-NXEZZACHSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C	ZINC000180123979	530758862	/nfs/dbraw/zinc/75/88/62/530758862.db2.gz	MBKMRMGIFCRUFK-NXEZZACHSA-N	1	1	375.803	1.470	10	0		GDAEMO
CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000192789280	530973780	/nfs/dbraw/zinc/97/37/80/530973780.db2.gz	GRBDXDIGLRCJBK-ZIAGYGMSSA-N	1	1	392.315	1.698	10	0		GDAEMO
CC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000192789280	530973783	/nfs/dbraw/zinc/97/37/83/530973783.db2.gz	GRBDXDIGLRCJBK-ZIAGYGMSSA-N	1	1	392.315	1.698	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000124222832	530993237	/nfs/dbraw/zinc/99/32/37/530993237.db2.gz	MCGSJJMWBLALSS-GHMZBOCLSA-N	1	1	389.237	1.213	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000124222832	530993238	/nfs/dbraw/zinc/99/32/38/530993238.db2.gz	MCGSJJMWBLALSS-GHMZBOCLSA-N	1	1	389.237	1.213	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000130738807	531063489	/nfs/dbraw/zinc/06/34/89/531063489.db2.gz	MZUGDYNMWYUMRC-ZIAGYGMSSA-N	1	1	386.543	1.247	10	0		GDAEMO
COC(=O)c1sccc1S(=O)(=O)N1CCC(Cc2[nH+]ccn2C)CC1	ZINC000128648954	531042950	/nfs/dbraw/zinc/04/29/50/531042950.db2.gz	HVIYFYDFMGGEAY-UHFFFAOYSA-N	1	1	383.495	1.912	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ncc1Br	ZINC000248764301	531082224	/nfs/dbraw/zinc/08/22/24/531082224.db2.gz	ZTQSMDXTUYUZBG-VXGBXAGGSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000154197118	531179091	/nfs/dbraw/zinc/17/90/91/531179091.db2.gz	CNFXJOJRTRFKDT-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000154197118	531179093	/nfs/dbraw/zinc/17/90/93/531179093.db2.gz	CNFXJOJRTRFKDT-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@H]3C)C2)s1	ZINC000408111757	531220216	/nfs/dbraw/zinc/22/02/16/531220216.db2.gz	DWYXWZYVYIZBNI-HIFRSBDPSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@H]3C)C2)s1	ZINC000408111757	531220223	/nfs/dbraw/zinc/22/02/23/531220223.db2.gz	DWYXWZYVYIZBNI-HIFRSBDPSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1nc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)sc1S(N)(=O)=O	ZINC000379671601	532295058	/nfs/dbraw/zinc/29/50/58/532295058.db2.gz	LPHRWAXYHXWELU-OAHLLOKOSA-N	1	1	380.539	2.566	10	0		GDAEMO
COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC[NH+](CC(N)=O)CC2)cc1	ZINC000091475825	208119470	/nfs/dbraw/zinc/11/94/70/208119470.db2.gz	RGTSNWSGXKHBCI-IBGZPJMESA-N	1	1	389.496	1.400	10	0		GDAEMO
CCN1C(=O)[C@H]2C[N@@H+](CC(C)C)C[C@H]2C12CCN(C(=O)c1cnc(C)cn1)CC2	ZINC000096087670	208262040	/nfs/dbraw/zinc/26/20/40/208262040.db2.gz	CSQLDUVSTDDWFT-ZWKOTPCHSA-N	1	1	399.539	1.826	10	0		GDAEMO
CCN1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)[C@@H](C)C1	ZINC000252537316	209037655	/nfs/dbraw/zinc/03/76/55/209037655.db2.gz	KYFPYKHWSYQFMN-WRGRXTPVSA-N	1	1	391.560	1.584	10	0		GDAEMO
CN1C(=O)COc2ccc(NC(=O)NCCC[N@H+]3CCCC[C@@H]3CO)cc21	ZINC000299756934	209081852	/nfs/dbraw/zinc/08/18/52/209081852.db2.gz	KDTAYHFTYPXQSX-OAHLLOKOSA-N	1	1	376.457	1.400	10	0		GDAEMO
O=C(Cc1cccs1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1	ZINC000046140795	530649583	/nfs/dbraw/zinc/64/95/83/530649583.db2.gz	UJDISVUMLQRHOH-UHFFFAOYSA-N	1	1	385.555	1.297	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccc(S(N)(=O)=O)s1	ZINC000175586613	530667481	/nfs/dbraw/zinc/66/74/81/530667481.db2.gz	NBKZMKCTVLBNJK-GFCCVEGCSA-N	1	1	383.499	1.275	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C	ZINC000177610847	530707182	/nfs/dbraw/zinc/70/71/82/530707182.db2.gz	RCBXEDDHFRCIBP-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C	ZINC000177610847	530707184	/nfs/dbraw/zinc/70/71/84/530707184.db2.gz	RCBXEDDHFRCIBP-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000113444867	530890238	/nfs/dbraw/zinc/89/02/38/530890238.db2.gz	LEXHDPMLGADMBM-SWLSCSKDSA-N	1	1	380.286	1.874	10	0		GDAEMO
CCC(CC)CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372740	530912443	/nfs/dbraw/zinc/91/24/43/530912443.db2.gz	NMZLTVLOERPFTH-SFHVURJKSA-N	1	1	375.579	1.479	10	0		GDAEMO
C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC[C@H]21	ZINC000245901594	531061871	/nfs/dbraw/zinc/06/18/71/531061871.db2.gz	UFWXTWWJNLSQMB-QMTHXVAHSA-N	1	1	389.880	1.683	10	0		GDAEMO
C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCS[C@@H](C)C1	ZINC000246077729	531062921	/nfs/dbraw/zinc/06/29/21/531062921.db2.gz	CZBKDEPCAOWDLP-VHSXEESVSA-N	1	1	375.416	1.984	10	0		GDAEMO
C[C@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCS[C@@H](C)C1	ZINC000246077729	531062924	/nfs/dbraw/zinc/06/29/24/531062924.db2.gz	CZBKDEPCAOWDLP-VHSXEESVSA-N	1	1	375.416	1.984	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000245703111	531060104	/nfs/dbraw/zinc/06/01/04/531060104.db2.gz	XZBGWJRKWQHNFK-ZJUUUORDSA-N	1	1	375.853	1.435	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248736231	531081878	/nfs/dbraw/zinc/08/18/78/531081878.db2.gz	KWEUGZABNLLJNG-WQGACYEGSA-N	1	1	383.286	1.666	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248736231	531081881	/nfs/dbraw/zinc/08/18/81/531081881.db2.gz	KWEUGZABNLLJNG-WQGACYEGSA-N	1	1	383.286	1.666	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248774926	531082140	/nfs/dbraw/zinc/08/21/40/531082140.db2.gz	UDWSDOVTWGFRCQ-MLGOLLRUSA-N	1	1	383.286	1.932	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248774926	531082142	/nfs/dbraw/zinc/08/21/42/531082142.db2.gz	UDWSDOVTWGFRCQ-MLGOLLRUSA-N	1	1	383.286	1.932	10	0		GDAEMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1	ZINC000246831429	531070288	/nfs/dbraw/zinc/07/02/88/531070288.db2.gz	CTIKFPKOPHETFV-YRGRVCCFSA-N	1	1	394.331	1.942	10	0		GDAEMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1	ZINC000246831429	531070289	/nfs/dbraw/zinc/07/02/89/531070289.db2.gz	CTIKFPKOPHETFV-YRGRVCCFSA-N	1	1	394.331	1.942	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O	ZINC000246856728	531070512	/nfs/dbraw/zinc/07/05/12/531070512.db2.gz	CJSINVAPRUOTSV-STQMWFEESA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1C[C@H](C)O	ZINC000246856728	531070514	/nfs/dbraw/zinc/07/05/14/531070514.db2.gz	CJSINVAPRUOTSV-STQMWFEESA-N	1	1	398.301	1.691	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000247189093	531072814	/nfs/dbraw/zinc/07/28/14/531072814.db2.gz	LEXHDPMLGADMBM-WFASDCNBSA-N	1	1	380.286	1.874	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000154395533	531183663	/nfs/dbraw/zinc/18/36/63/531183663.db2.gz	XQQZWAVWVKUZAC-CQSZACIVSA-N	1	1	392.257	1.979	10	0		GDAEMO
NS(=O)(=O)c1cc(Br)cnc1N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000408157891	531223325	/nfs/dbraw/zinc/22/33/25/531223325.db2.gz	LEEGDBORYNPRIJ-LLVKDONJSA-N	1	1	375.292	1.166	10	0		GDAEMO
NS(=O)(=O)c1cc(Br)cnc1N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000408157891	531223331	/nfs/dbraw/zinc/22/33/31/531223331.db2.gz	LEEGDBORYNPRIJ-LLVKDONJSA-N	1	1	375.292	1.166	10	0		GDAEMO
Cc1sc(Br)cc1S(=O)(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1	ZINC000404109876	532305688	/nfs/dbraw/zinc/30/56/88/532305688.db2.gz	JILCFMOHANRVDH-UWVGGRQHSA-N	1	1	381.317	1.570	10	0		GDAEMO
C[C@@H]1CN(C(=O)CCC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2O1	ZINC000020466246	207195766	/nfs/dbraw/zinc/19/57/66/207195766.db2.gz	WOGVBJGFYBWMJN-QGZVFWFLSA-N	1	1	388.512	1.334	10	0		GDAEMO
C[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(CN2CCNC(=O)CC2)cc1	ZINC000020638002	207209472	/nfs/dbraw/zinc/20/94/72/207209472.db2.gz	NUJSDGPIWPDAHD-NRFANRHFSA-N	1	1	397.519	1.880	10	0		GDAEMO
CC[C@H](C)NC(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1	ZINC000034677119	570294052	/nfs/dbraw/zinc/29/40/52/570294052.db2.gz	ONFKXLYVNJQYQS-HOTGVXAUSA-N	1	1	382.505	1.106	10	0		GDAEMO
CN1CC=C(c2noc(CCC(=O)NCC[N@@H+]3CCc4ccccc4C3)n2)CC1	ZINC000033069159	570776600	/nfs/dbraw/zinc/77/66/00/570776600.db2.gz	ABUUMQVPXRZDNM-UHFFFAOYSA-N	1	1	395.507	1.896	10	0		GDAEMO
CN1CC=C(c2noc(CCC(=O)NCC[N@H+]3CCc4ccccc4C3)n2)CC1	ZINC000033069159	570776601	/nfs/dbraw/zinc/77/66/01/570776601.db2.gz	ABUUMQVPXRZDNM-UHFFFAOYSA-N	1	1	395.507	1.896	10	0		GDAEMO
O=c1c(Br)nn(C[N@H+]2CC[C@H](N3CCOCC3)C2)c2ccccc12	ZINC000124224237	644705118	/nfs/dbraw/zinc/70/51/18/644705118.db2.gz	CFNVYBQNPYTIFO-ZDUSSCGKSA-N	1	1	393.285	1.523	10	0		GDAEMO
CC(=O)c1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)ccc1Br	ZINC000180262280	644943414	/nfs/dbraw/zinc/94/34/14/644943414.db2.gz	GMDMGHHZGYEIKO-NSHDSACASA-N	1	1	375.288	1.976	10	0		GDAEMO
CC(=O)N1CSC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190537484	645020668	/nfs/dbraw/zinc/02/06/68/645020668.db2.gz	FHHLELXTOQPYSY-CABCVRRESA-N	1	1	382.555	1.653	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CC[N@H+]1C[C@H](C)O	ZINC000248458177	645099842	/nfs/dbraw/zinc/09/98/42/645099842.db2.gz	UNBHDNRBEOFLGJ-NWDGAFQWSA-N	1	1	386.290	1.770	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000173841611	530638217	/nfs/dbraw/zinc/63/82/17/530638217.db2.gz	AZYOPVGEPHILIT-AWEZNQCLSA-N	1	1	383.495	1.448	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000175447711	530665423	/nfs/dbraw/zinc/66/54/23/530665423.db2.gz	SKOINKMBVJQDLO-VXGBXAGGSA-N	1	1	384.274	1.857	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)C1	ZINC000052560104	530685974	/nfs/dbraw/zinc/68/59/74/530685974.db2.gz	XLKADUVSKXSUJF-OAHLLOKOSA-N	1	1	397.317	1.962	10	0		GDAEMO
O=C(Nc1c(F)cc(Br)cc1F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177687969	530708347	/nfs/dbraw/zinc/70/83/47/530708347.db2.gz	ZDCYQDCCIZJZHT-SNVBAGLBSA-N	1	1	388.212	1.972	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CCC[N@H+](C2CC2)CC1	ZINC000179278344	530737918	/nfs/dbraw/zinc/73/79/18/530737918.db2.gz	BZDNXNSAHVGIFU-UHFFFAOYSA-N	1	1	394.273	1.992	10	0		GDAEMO
CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@H](O)COc2cccc(Br)c2)C1	ZINC000179458337	530740882	/nfs/dbraw/zinc/74/08/82/530740882.db2.gz	UDALQIMXCWGDBS-HOCLYGCPSA-N	1	1	385.302	1.989	10	0		GDAEMO
C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1	ZINC000186513100	530857461	/nfs/dbraw/zinc/85/74/61/530857461.db2.gz	VVDKWSUCQRTLCN-LBPRGKRZSA-N	1	1	378.445	1.022	10	0		GDAEMO
C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3cnn(CC(F)F)c3)CC2)CCO1	ZINC000186513100	530857464	/nfs/dbraw/zinc/85/74/64/530857464.db2.gz	VVDKWSUCQRTLCN-LBPRGKRZSA-N	1	1	378.445	1.022	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000117275484	530911643	/nfs/dbraw/zinc/91/16/43/530911643.db2.gz	JCGANZQGPZTZAE-NSHDSACASA-N	1	1	391.253	1.802	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000117275484	530911645	/nfs/dbraw/zinc/91/16/45/530911645.db2.gz	JCGANZQGPZTZAE-NSHDSACASA-N	1	1	391.253	1.802	10	0		GDAEMO
CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CC2	ZINC000112551272	530882851	/nfs/dbraw/zinc/88/28/51/530882851.db2.gz	YVHRXTURELCCCJ-IUODEOHRSA-N	1	1	378.274	1.734	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1CCOC	ZINC000117526885	530913696	/nfs/dbraw/zinc/91/36/96/530913696.db2.gz	QWCSCIBIKSMGBD-OAHLLOKOSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1CCOC	ZINC000117526885	530913698	/nfs/dbraw/zinc/91/36/98/530913698.db2.gz	QWCSCIBIKSMGBD-OAHLLOKOSA-N	1	1	398.301	1.957	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1	ZINC000192137591	530962812	/nfs/dbraw/zinc/96/28/12/530962812.db2.gz	VEBQDMDJUYSDJP-ZDUSSCGKSA-N	1	1	384.322	1.425	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1CCOC	ZINC000193278350	530983743	/nfs/dbraw/zinc/98/37/43/530983743.db2.gz	IUJRBNHFUSBGMB-ZDUSSCGKSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1CCOC	ZINC000193278350	530983746	/nfs/dbraw/zinc/98/37/46/530983746.db2.gz	IUJRBNHFUSBGMB-ZDUSSCGKSA-N	1	1	399.289	1.352	10	0		GDAEMO
C[N@@H+]1C[C@H]2CN(CC(=O)Nc3cccc(I)c3)C[C@H]2C1	ZINC000193657025	530991428	/nfs/dbraw/zinc/99/14/28/530991428.db2.gz	LZIMSOHWQPEVTG-TXEJJXNPSA-N	1	1	385.249	1.723	10	0		GDAEMO
O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000195066210	531014021	/nfs/dbraw/zinc/01/40/21/531014021.db2.gz	YCFXOPZSCBLAIM-CQSZACIVSA-N	1	1	378.523	1.686	10	0		GDAEMO
O=C(CSCc1cc(=O)n2ccsc2n1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000195066210	531014024	/nfs/dbraw/zinc/01/40/24/531014024.db2.gz	YCFXOPZSCBLAIM-CQSZACIVSA-N	1	1	378.523	1.686	10	0		GDAEMO
O=C(CCNC(=O)c1ccc(Br)cc1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195311092	531020913	/nfs/dbraw/zinc/02/09/13/531020913.db2.gz	JJSLVQNIEGBQFQ-HNNXBMFYSA-N	1	1	380.286	1.876	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C	ZINC000249383170	531086203	/nfs/dbraw/zinc/08/62/03/531086203.db2.gz	VVCCQGOQYURTIP-ZQIUZPCESA-N	1	1	396.329	1.941	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC[N@H+]1C[C@H](C)O	ZINC000249542192	531087829	/nfs/dbraw/zinc/08/78/29/531087829.db2.gz	FGOMQCZGZSAECT-CMPLNLGQSA-N	1	1	386.290	1.775	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1	ZINC000252000120	531090369	/nfs/dbraw/zinc/09/03/69/531090369.db2.gz	WKQZPKCQJIKEMW-TZMCWYRMSA-N	1	1	388.559	1.348	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1	ZINC000252000120	531090371	/nfs/dbraw/zinc/09/03/71/531090371.db2.gz	WKQZPKCQJIKEMW-TZMCWYRMSA-N	1	1	388.559	1.348	10	0		GDAEMO
O=C(CNC(=O)c1ccc(Br)cc1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000154318645	531181210	/nfs/dbraw/zinc/18/12/10/531181210.db2.gz	CXXAZDIUDWXFRR-OAHLLOKOSA-N	1	1	380.286	1.876	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1	ZINC000158208504	531207812	/nfs/dbraw/zinc/20/78/12/531207812.db2.gz	UBEAJCQZSVDASQ-CQSZACIVSA-N	1	1	385.302	1.915	10	0		GDAEMO
NS(=O)(=O)c1cc(F)c(N2CC[N@@H+]3CCC[C@H]3C2)c(Br)c1	ZINC000408375367	531235584	/nfs/dbraw/zinc/23/55/84/531235584.db2.gz	SRKMNAKFZKCGAR-VIFPVBQESA-N	1	1	378.267	1.520	10	0		GDAEMO
NS(=O)(=O)c1cc(F)c(N2CC[N@H+]3CCC[C@H]3C2)c(Br)c1	ZINC000408375367	531235588	/nfs/dbraw/zinc/23/55/88/531235588.db2.gz	SRKMNAKFZKCGAR-VIFPVBQESA-N	1	1	378.267	1.520	10	0		GDAEMO
CO[C@@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2cccc(I)c2)C1	ZINC000284711418	531982753	/nfs/dbraw/zinc/98/27/53/531982753.db2.gz	UZZJJUZEAYOPIG-QWHCGFSZSA-N	1	1	390.221	1.311	10	0		GDAEMO
CO[C@@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2cccc(I)c2)C1	ZINC000284711418	531982759	/nfs/dbraw/zinc/98/27/59/531982759.db2.gz	UZZJJUZEAYOPIG-QWHCGFSZSA-N	1	1	390.221	1.311	10	0		GDAEMO
Nc1ncc(Br)cc1S(=O)(=O)NC[C@@H]1CCc2[nH+]ccn2C1	ZINC000328634292	532089342	/nfs/dbraw/zinc/08/93/42/532089342.db2.gz	TZKRNNZNWXWPMM-VIFPVBQESA-N	1	1	386.275	1.164	10	0		GDAEMO
CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CCc1ccccc1	ZINC000015065009	207042766	/nfs/dbraw/zinc/04/27/66/207042766.db2.gz	OMAAHBNXYDOWTQ-LJQANCHMSA-N	1	1	383.496	1.165	10	0		GDAEMO
CCN(CCn1cccn1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCc1ccccc1	ZINC000015065009	207042769	/nfs/dbraw/zinc/04/27/69/207042769.db2.gz	OMAAHBNXYDOWTQ-LJQANCHMSA-N	1	1	383.496	1.165	10	0		GDAEMO
COc1ccc(CNc2ncc(C(=O)NCCC[NH+]3CCOCC3)c(C)n2)cc1	ZINC000015778282	207060520	/nfs/dbraw/zinc/06/05/20/207060520.db2.gz	NILMJNCVRBDPIP-UHFFFAOYSA-N	1	1	399.495	1.858	10	0		GDAEMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]21)N1CCCCC1	ZINC000015708512	526562368	/nfs/dbraw/zinc/56/23/68/526562368.db2.gz	LPRCEILIUUHYDW-OTWHNJEPSA-N	1	1	398.507	1.150	10	0	biogenic	GDAEMO
O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]21)N1CCCCC1	ZINC000015708512	526562370	/nfs/dbraw/zinc/56/23/70/526562370.db2.gz	LPRCEILIUUHYDW-OTWHNJEPSA-N	1	1	398.507	1.150	10	0	biogenic	GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000173841625	530638542	/nfs/dbraw/zinc/63/85/42/530638542.db2.gz	AZYOPVGEPHILIT-CQSZACIVSA-N	1	1	383.495	1.448	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000175013016	530657896	/nfs/dbraw/zinc/65/78/96/530657896.db2.gz	NROXMFFLVSQSBS-VXGBXAGGSA-N	1	1	379.262	1.586	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000175447733	530665882	/nfs/dbraw/zinc/66/58/82/530665882.db2.gz	SKOINKMBVJQDLO-NWDGAFQWSA-N	1	1	384.274	1.857	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177611308	530706895	/nfs/dbraw/zinc/70/68/95/530706895.db2.gz	INEMOLYAUWFRQM-NWDGAFQWSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177611308	530706898	/nfs/dbraw/zinc/70/68/98/530706898.db2.gz	INEMOLYAUWFRQM-NWDGAFQWSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1	ZINC000181415210	530783075	/nfs/dbraw/zinc/78/30/75/530783075.db2.gz	ZZNPFJIRNMDIPB-OAHLLOKOSA-N	1	1	382.873	1.264	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ncccc1Br	ZINC000193547905	530989074	/nfs/dbraw/zinc/98/90/74/530989074.db2.gz	RBFPTNQPJNYRPH-HNNXBMFYSA-N	1	1	390.281	1.993	10	0		GDAEMO
O=C(CNS(=O)(=O)c1ccc(Cl)s1)N1CCC[N@H+](C2CC2)CC1	ZINC000194882651	531011946	/nfs/dbraw/zinc/01/19/46/531011946.db2.gz	GRFKYKJMDQBORW-UHFFFAOYSA-N	1	1	377.919	1.377	10	0		GDAEMO
O=C1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@H]2N1	ZINC000246562638	531068084	/nfs/dbraw/zinc/06/80/84/531068084.db2.gz	KSJFVIVKYVJPDT-IMJJTQAJSA-N	1	1	383.286	1.932	10	0		GDAEMO
O=C1C[N@H+](C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@H]2N1	ZINC000246562638	531068085	/nfs/dbraw/zinc/06/80/85/531068085.db2.gz	KSJFVIVKYVJPDT-IMJJTQAJSA-N	1	1	383.286	1.932	10	0		GDAEMO
C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245653096	531059677	/nfs/dbraw/zinc/05/96/77/531059677.db2.gz	CWMFEPNZWJALBG-WBIUFABUSA-N	1	1	391.896	1.526	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1	ZINC000249609574	531088445	/nfs/dbraw/zinc/08/84/45/531088445.db2.gz	BPUJTFCIZPSMGI-HUUCEWRRSA-N	1	1	385.555	1.810	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[N@H+]3CCC[C@H]3C2)s1	ZINC000249842711	531089953	/nfs/dbraw/zinc/08/99/53/531089953.db2.gz	YFCQYFOGOZEAQS-LSDHHAIUSA-N	1	1	383.539	1.516	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CC[N@H+](C)C[C@@H]43)cc(Cl)c2O1	ZINC000285249742	532055987	/nfs/dbraw/zinc/05/59/87/532055987.db2.gz	YFRWUUFFSHMRRF-RLCCDNCMSA-N	1	1	386.901	1.757	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)cc(Cl)c2O1	ZINC000285249742	532055988	/nfs/dbraw/zinc/05/59/88/532055988.db2.gz	YFRWUUFFSHMRRF-RLCCDNCMSA-N	1	1	386.901	1.757	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@H]2C1	ZINC000285279705	532058772	/nfs/dbraw/zinc/05/87/72/532058772.db2.gz	ZWCNZSWDAMMXHI-STQMWFEESA-N	1	1	388.873	1.205	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@H]2C1	ZINC000285279705	532058775	/nfs/dbraw/zinc/05/87/75/532058775.db2.gz	ZWCNZSWDAMMXHI-STQMWFEESA-N	1	1	388.873	1.205	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]c4ccc(Br)cc43)[C@H]2C1	ZINC000285942076	532121609	/nfs/dbraw/zinc/12/16/09/532121609.db2.gz	VRSFBGMRLULPRL-UONOGXRCSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@H]2C1	ZINC000285942076	532121611	/nfs/dbraw/zinc/12/16/11/532121611.db2.gz	VRSFBGMRLULPRL-UONOGXRCSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@H]2C1	ZINC000285942076	532121614	/nfs/dbraw/zinc/12/16/14/532121614.db2.gz	VRSFBGMRLULPRL-UONOGXRCSA-N	1	1	379.258	1.871	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccnn2C)C[N@H+]1CC1CCCC1	ZINC000096150486	208277260	/nfs/dbraw/zinc/27/72/60/208277260.db2.gz	CREKBFBQZUYORV-AEFFLSMTSA-N	1	1	375.517	1.651	10	0		GDAEMO
CC[C@@H](C)NC(=O)c1coc(CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1	ZINC000034677120	570293974	/nfs/dbraw/zinc/29/39/74/570293974.db2.gz	ONFKXLYVNJQYQS-HZPDHXFCSA-N	1	1	382.505	1.106	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1C[C@@H](C)O	ZINC000163475676	644860785	/nfs/dbraw/zinc/86/07/85/644860785.db2.gz	JBLKPHVAOCPWQD-YPMHNXCESA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1C[C@@H](C)O	ZINC000163475676	644860790	/nfs/dbraw/zinc/86/07/90/644860790.db2.gz	JBLKPHVAOCPWQD-YPMHNXCESA-N	1	1	399.289	1.086	10	0		GDAEMO
O=C(NC[C@@H]1CCc2[nH+]ccn2C1)c1nscc1I	ZINC000907560847	659783959	/nfs/dbraw/zinc/78/39/59/659783959.db2.gz	QLDHOABKZVTLOD-QMMMGPOBSA-N	1	1	388.234	1.937	10	0		GDAEMO
[NH2+]=C1NC(N[C@H](O)C(Cl)(Cl)Cl)=N[C@H](C(Cl)(Cl)Cl)O1	ZINC000005630571	530539639	/nfs/dbraw/zinc/53/96/39/530539639.db2.gz	BSVICRCRIMOVHK-NCGGTJAESA-N	1	1	378.858	1.871	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1	ZINC000173585274	530633393	/nfs/dbraw/zinc/63/33/93/530633393.db2.gz	ICGHXZKSACOEKF-OAHLLOKOSA-N	1	1	385.302	1.915	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173907464	530639828	/nfs/dbraw/zinc/63/98/28/530639828.db2.gz	ZVIAEXJZTIADDJ-JKSUJKDBSA-N	1	1	385.302	1.595	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc(I)c2)C[C@H]1C	ZINC000174305131	530646335	/nfs/dbraw/zinc/64/63/35/530646335.db2.gz	XJAWHGDSQFAZJM-NXEZZACHSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc(I)c2)C[C@H]1C	ZINC000174305131	530646340	/nfs/dbraw/zinc/64/63/40/530646340.db2.gz	XJAWHGDSQFAZJM-NXEZZACHSA-N	1	1	394.278	1.880	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000177036465	530695906	/nfs/dbraw/zinc/69/59/06/530695906.db2.gz	YROYLADJSVJIOE-HNNXBMFYSA-N	1	1	387.933	1.903	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br	ZINC000177607727	530705911	/nfs/dbraw/zinc/70/59/11/530705911.db2.gz	XRRBOKBFMDODJX-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br	ZINC000177607727	530705914	/nfs/dbraw/zinc/70/59/14/530705914.db2.gz	XRRBOKBFMDODJX-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000179108764	530735882	/nfs/dbraw/zinc/73/58/82/530735882.db2.gz	LCMOCADQYNGFJU-LLVKDONJSA-N	1	1	392.934	1.169	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)CS(=O)(=O)c2ccc(Cl)cc2)cn1	ZINC000181390804	530783029	/nfs/dbraw/zinc/78/30/29/530783029.db2.gz	XBLBPIZVOBXFBO-OAHLLOKOSA-N	1	1	382.873	1.020	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000113227250	530887559	/nfs/dbraw/zinc/88/75/59/530887559.db2.gz	KQHJFJAKSKIFQO-KFWWJZLASA-N	1	1	383.539	1.596	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000113227782	530887581	/nfs/dbraw/zinc/88/75/81/530887581.db2.gz	HRRPMUDDQOGFGE-CHWSQXEVSA-N	1	1	385.917	1.899	10	0		GDAEMO
Cn1cnc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1Cl	ZINC000192938670	530976469	/nfs/dbraw/zinc/97/64/69/530976469.db2.gz	CXPHGUIZATVYBD-CQSZACIVSA-N	1	1	383.905	1.611	10	0		GDAEMO
CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000125711031	531010088	/nfs/dbraw/zinc/01/00/88/531010088.db2.gz	WSYPIXVIJSNQEY-CVEARBPZSA-N	1	1	376.906	1.231	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000194272500	531001808	/nfs/dbraw/zinc/00/18/08/531001808.db2.gz	OLVHMCOFPDYJAA-GOEBONIOSA-N	1	1	383.286	1.668	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000245572804	531058042	/nfs/dbraw/zinc/05/80/42/531058042.db2.gz	CNFXJOJRTRFKDT-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000245572804	531058045	/nfs/dbraw/zinc/05/80/45/531058045.db2.gz	CNFXJOJRTRFKDT-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CC[C@H]21	ZINC000245650271	531059206	/nfs/dbraw/zinc/05/92/06/531059206.db2.gz	JWNNCJSFMLOVCZ-BXUZGUMPSA-N	1	1	381.274	1.725	10	0		GDAEMO
CNS(=O)(=O)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245658651	531059889	/nfs/dbraw/zinc/05/98/89/531059889.db2.gz	FGDOUTPVIMMUNG-NHYWBVRUSA-N	1	1	377.869	1.137	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)c1	ZINC000247241608	531073631	/nfs/dbraw/zinc/07/36/31/531073631.db2.gz	ZZIHMDWFORVOLU-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c(Br)c1	ZINC000247241608	531073636	/nfs/dbraw/zinc/07/36/36/531073636.db2.gz	ZZIHMDWFORVOLU-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000247383550	531074374	/nfs/dbraw/zinc/07/43/74/531074374.db2.gz	PYFNZWAJAGDCOM-CZUORRHYSA-N	1	1	387.933	1.805	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@@H]1C	ZINC000249383164	531086298	/nfs/dbraw/zinc/08/62/98/531086298.db2.gz	VVCCQGOQYURTIP-GRDNDAEWSA-N	1	1	396.329	1.941	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000247169957	531073135	/nfs/dbraw/zinc/07/31/35/531073135.db2.gz	KQHJFJAKSKIFQO-QLFBSQMISA-N	1	1	383.539	1.596	10	0		GDAEMO
Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH+]2CCSCC2)N2CCOCC2)s1	ZINC000153324086	531165916	/nfs/dbraw/zinc/16/59/16/531165916.db2.gz	LIOHGYDRYNIFHR-CVEARBPZSA-N	1	1	383.583	1.983	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000408151527	531221586	/nfs/dbraw/zinc/22/15/86/531221586.db2.gz	RARATUUPSLMSMB-DGCLKSJQSA-N	1	1	391.490	1.054	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCOC[C@H]1C	ZINC000301395225	532033004	/nfs/dbraw/zinc/03/30/04/532033004.db2.gz	LFKQXXJGGVIWGJ-GHMZBOCLSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@H+]1CCOC[C@H]1C	ZINC000301395225	532033006	/nfs/dbraw/zinc/03/30/06/532033006.db2.gz	LFKQXXJGGVIWGJ-GHMZBOCLSA-N	1	1	381.420	1.874	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)CC(=O)N2C[C@@H](C)O[C@@H](C)C2)[C@@H]1c1cnn(C)c1	ZINC000328651972	206238406	/nfs/dbraw/zinc/23/84/06/206238406.db2.gz	WFJUKTLAJPHHAV-TWFHAPMSSA-N	1	1	391.560	1.761	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)CC(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H]1c1cnn(C)c1	ZINC000328651970	206238575	/nfs/dbraw/zinc/23/85/75/206238575.db2.gz	WFJUKTLAJPHHAV-RYLXDESZSA-N	1	1	391.560	1.761	10	0		GDAEMO
C[NH+]1CCN(C(=O)Oc2c3[nH]ccc(Cl)c-3c(=O)n2-c2ccncn2)CC1	ZINC000334161910	206255788	/nfs/dbraw/zinc/25/57/88/206255788.db2.gz	GYQFOKUJGPPEHA-MRXNPFEDSA-N	1	1	388.815	1.568	10	0		GDAEMO
COc1cc2oc(=O)c3c(c2cc1OC)CC[N@H+](C[C@@H](C)N1CCOCC1)C3	ZINC000027737276	207330952	/nfs/dbraw/zinc/33/09/52/207330952.db2.gz	OVUPMFPSSFVDRJ-CQSZACIVSA-N	1	1	388.464	1.889	10	0		GDAEMO
O=C1CC2(CN1)CCN(Cc1cc3n(n1)CCC[N@@H+](C[C@@H]1CCCO1)C3)CC2	ZINC000072156595	207981317	/nfs/dbraw/zinc/98/13/17/207981317.db2.gz	BMJLTAGMOCBPBT-IBGZPJMESA-N	1	1	387.528	1.370	10	0		GDAEMO
CCN1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)[C@H](C)C1	ZINC000252537315	209037425	/nfs/dbraw/zinc/03/74/25/209037425.db2.gz	KYFPYKHWSYQFMN-UKHYVGRKSA-N	1	1	391.560	1.584	10	0		GDAEMO
CC(C)CCNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1	ZINC000034677435	570542822	/nfs/dbraw/zinc/54/28/22/570542822.db2.gz	QUBKOPRLYPVQNE-QGZVFWFLSA-N	1	1	396.532	1.354	10	0		GDAEMO
CC[C@H](O)C[N@H+](CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1	ZINC000036206975	570569085	/nfs/dbraw/zinc/56/90/85/570569085.db2.gz	QGTQEDNNSBBLPZ-LBPRGKRZSA-N	1	1	397.497	1.689	10	0		GDAEMO
CC[C@H](O)C[N@@H+](CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1	ZINC000036206975	570569086	/nfs/dbraw/zinc/56/90/86/570569086.db2.gz	QGTQEDNNSBBLPZ-LBPRGKRZSA-N	1	1	397.497	1.689	10	0		GDAEMO
Cc1nc(Cc2nn(CN3CC[C@@H]([NH+]4CCOCC4)C3)c(=S)o2)cs1	ZINC000172960166	644886216	/nfs/dbraw/zinc/88/62/16/644886216.db2.gz	YHZVPDDBRZFSLD-CQSZACIVSA-N	1	1	381.527	1.925	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1	ZINC000173105739	644888203	/nfs/dbraw/zinc/88/82/03/644888203.db2.gz	DEJNSHFDPPJXPY-CQSZACIVSA-N	1	1	399.285	1.556	10	0		GDAEMO
O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000580828251	651941960	/nfs/dbraw/zinc/94/19/60/651941960.db2.gz	VLGRIDACFCRIEX-LBPRGKRZSA-N	1	1	393.481	1.262	10	0		GDAEMO
COc1ccsc1S(=O)(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000158872180	530537077	/nfs/dbraw/zinc/53/70/77/530537077.db2.gz	PLLCMEWTJIFWLB-HNNXBMFYSA-N	1	1	382.507	1.454	10	0		GDAEMO
COc1ccsc1S(=O)(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000158872180	530537078	/nfs/dbraw/zinc/53/70/78/530537078.db2.gz	PLLCMEWTJIFWLB-HNNXBMFYSA-N	1	1	382.507	1.454	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(=O)(=O)NC)s1	ZINC000173618203	530633713	/nfs/dbraw/zinc/63/37/13/530633713.db2.gz	JGJQOJOCQRACRJ-CHWSQXEVSA-N	1	1	386.543	1.424	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[NH+]1CCN(c2cnccn2)CC1	ZINC000043507458	530634984	/nfs/dbraw/zinc/63/49/84/530634984.db2.gz	FVFNZDXSSGSUNR-HNNXBMFYSA-N	1	1	393.285	1.801	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O	ZINC000177173150	530698849	/nfs/dbraw/zinc/69/88/49/530698849.db2.gz	FNOHCOWEISFANE-AWEZNQCLSA-N	1	1	379.258	1.807	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177605420	530706060	/nfs/dbraw/zinc/70/60/60/530706060.db2.gz	QRLIIOWDNVELAG-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177605420	530706062	/nfs/dbraw/zinc/70/60/62/530706062.db2.gz	QRLIIOWDNVELAG-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C	ZINC000177610832	530707222	/nfs/dbraw/zinc/70/72/22/530707222.db2.gz	RCBXEDDHFRCIBP-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@H]1C	ZINC000177610832	530707223	/nfs/dbraw/zinc/70/72/23/530707223.db2.gz	RCBXEDDHFRCIBP-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
COCc1c(Br)cccc1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177695464	530709572	/nfs/dbraw/zinc/70/95/72/530709572.db2.gz	QWNGVWRPYHKXNB-LBPRGKRZSA-N	1	1	396.285	1.841	10	0		GDAEMO
O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000178738905	530726635	/nfs/dbraw/zinc/72/66/35/530726635.db2.gz	MXMDWJYLKULBSL-SECBINFHSA-N	1	1	388.212	1.972	10	0		GDAEMO
COc1ccc(Br)cc1CC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1	ZINC000181352768	530782491	/nfs/dbraw/zinc/78/24/91/530782491.db2.gz	NGLIIOCEVYQRCT-HNNXBMFYSA-N	1	1	393.285	1.907	10	0		GDAEMO
CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2cccc(Br)c2)c(=O)[nH]c1=O	ZINC000182572661	530801049	/nfs/dbraw/zinc/80/10/49/530801049.db2.gz	MKTFJWJJPBYIMX-SECBINFHSA-N	1	1	395.257	1.435	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1	ZINC000184851813	530832516	/nfs/dbraw/zinc/83/25/16/530832516.db2.gz	IXIVSZIMYILHPS-ZDUSSCGKSA-N	1	1	390.315	1.898	10	0		GDAEMO
O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000193970176	530996871	/nfs/dbraw/zinc/99/68/71/530996871.db2.gz	NBKAGJRBTMRVQC-GOEBONIOSA-N	1	1	383.286	1.932	10	0		GDAEMO
O=C(CNC(=O)c1ccc(Br)s1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000195318259	531020692	/nfs/dbraw/zinc/02/06/92/531020692.db2.gz	FXEFOWIDZYROAX-LLVKDONJSA-N	1	1	386.315	1.937	10	0		GDAEMO
C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195335746	531021322	/nfs/dbraw/zinc/02/13/22/531021322.db2.gz	JLKNRZDSZLNCNP-WDEREUQCSA-N	1	1	386.315	1.936	10	0		GDAEMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1	ZINC000245885429	531061877	/nfs/dbraw/zinc/06/18/77/531061877.db2.gz	OSMSWWKNBMCFEL-IINYFYTJSA-N	1	1	389.880	1.683	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CCNC(C)=O)s1	ZINC000246248042	531065654	/nfs/dbraw/zinc/06/56/54/531065654.db2.gz	SHGBQEJNINPGIM-CABCVRRESA-N	1	1	385.555	1.674	10	0		GDAEMO
CCn1c(N)c(C(=O)C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2)c(=O)[nH]c1=O	ZINC000128118618	531037597	/nfs/dbraw/zinc/03/75/97/531037597.db2.gz	UQFOTKFFPVBQAL-MRVPVSSYSA-N	1	1	385.251	1.979	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1	ZINC000245527256	531057380	/nfs/dbraw/zinc/05/73/80/531057380.db2.gz	COOUDJZWSOQSLP-HUUCEWRRSA-N	1	1	376.906	1.231	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C	ZINC000249383166	531086242	/nfs/dbraw/zinc/08/62/42/531086242.db2.gz	VVCCQGOQYURTIP-JKIFEVAISA-N	1	1	396.329	1.941	10	0		GDAEMO
Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH+]2CCSCC2)N2CCOCC2)s1	ZINC000153324180	531166196	/nfs/dbraw/zinc/16/61/96/531166196.db2.gz	LIOHGYDRYNIFHR-JKSUJKDBSA-N	1	1	383.583	1.983	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000154395450	531183230	/nfs/dbraw/zinc/18/32/30/531183230.db2.gz	XQQZWAVWVKUZAC-AWEZNQCLSA-N	1	1	392.257	1.979	10	0		GDAEMO
CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)CCCCC1	ZINC000019745500	207157967	/nfs/dbraw/zinc/15/79/67/207157967.db2.gz	JZMUANKLMVOQQW-QGZVFWFLSA-N	1	1	393.528	1.892	10	0		GDAEMO
CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)CCCCC1	ZINC000019745500	207157972	/nfs/dbraw/zinc/15/79/72/207157972.db2.gz	JZMUANKLMVOQQW-QGZVFWFLSA-N	1	1	393.528	1.892	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc(C)on2)C[N@H+]1C1CCOCC1	ZINC000096140919	208271310	/nfs/dbraw/zinc/27/13/10/208271310.db2.gz	GENRCWTZXWMQEG-PBHICJAKSA-N	1	1	378.473	1.203	10	0		GDAEMO
Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCCC2)[N@H+]3C)cc1	ZINC000035442387	560079494	/nfs/dbraw/zinc/07/94/94/560079494.db2.gz	ROWRHDLDFQWCMA-VWPQPMDRSA-N	1	1	398.551	1.771	10	0	biogenic	GDAEMO
Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCCC2)N3C)cc1	ZINC000035442387	560079496	/nfs/dbraw/zinc/07/94/96/560079496.db2.gz	ROWRHDLDFQWCMA-VWPQPMDRSA-N	1	1	398.551	1.771	10	0	biogenic	GDAEMO
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCCC2)N3C)cc1	ZINC000035442387	560079498	/nfs/dbraw/zinc/07/94/98/560079498.db2.gz	ROWRHDLDFQWCMA-VWPQPMDRSA-N	1	1	398.551	1.771	10	0	biogenic	GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1C[C@@H](C)O	ZINC000163475546	644860495	/nfs/dbraw/zinc/86/04/95/644860495.db2.gz	JBLKPHVAOCPWQD-DGCLKSJQSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1C[C@@H](C)O	ZINC000163475546	644860503	/nfs/dbraw/zinc/86/05/03/644860503.db2.gz	JBLKPHVAOCPWQD-DGCLKSJQSA-N	1	1	399.289	1.086	10	0		GDAEMO
Cc1ccsc1S(=O)(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000329757512	645327730	/nfs/dbraw/zinc/32/77/30/645327730.db2.gz	ZJWAMQFWCYVMSA-MRXNPFEDSA-N	1	1	387.571	1.472	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1C	ZINC000174312940	530645782	/nfs/dbraw/zinc/64/57/82/530645782.db2.gz	XCXJXSRBDKVIJU-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1C	ZINC000174312940	530645785	/nfs/dbraw/zinc/64/57/85/530645785.db2.gz	XCXJXSRBDKVIJU-VXGBXAGGSA-N	1	1	388.249	1.818	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)C1	ZINC000057820004	530728572	/nfs/dbraw/zinc/72/85/72/530728572.db2.gz	AYTANATVHYSMMC-AWEZNQCLSA-N	1	1	388.921	1.402	10	0		GDAEMO
O=C(CNC(=O)c1ccc(Br)cc1)N1CCC[N@H+](C2CC2)CC1	ZINC000185099078	530836527	/nfs/dbraw/zinc/83/65/27/530836527.db2.gz	AGGRJAARWBDZHD-UHFFFAOYSA-N	1	1	380.286	1.876	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(I)cc2)CC1	ZINC000106392467	530848045	/nfs/dbraw/zinc/84/80/45/530848045.db2.gz	WDZSNGCDCPMDCY-CQSZACIVSA-N	1	1	388.249	1.820	10	0		GDAEMO
O=C1CNC(=O)N1CC[NH2+][C@@H](c1ccc(Br)cc1)c1cncnc1	ZINC000187548380	530874664	/nfs/dbraw/zinc/87/46/64/530874664.db2.gz	ZJOGGSKZKDMQDP-HNNXBMFYSA-N	1	1	390.241	1.470	10	0		GDAEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000119620392	530928989	/nfs/dbraw/zinc/92/89/89/530928989.db2.gz	GFXLIBWBJUQXSX-GFCCVEGCSA-N	1	1	393.962	1.916	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc(Br)c[nH]1	ZINC000119748265	530930536	/nfs/dbraw/zinc/93/05/36/530930536.db2.gz	MRMBUSBUMJYRNO-HNNXBMFYSA-N	1	1	378.270	1.926	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)CC1	ZINC000189479160	530913968	/nfs/dbraw/zinc/91/39/68/530913968.db2.gz	GZJFLSJIYDFJEL-LLVKDONJSA-N	1	1	375.803	1.472	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)CC1	ZINC000189469856	530914260	/nfs/dbraw/zinc/91/42/60/530914260.db2.gz	YNVCQHTUQVVTLR-AWEZNQCLSA-N	1	1	384.274	1.303	10	0		GDAEMO
COCC[N@@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1C	ZINC000119160297	530922182	/nfs/dbraw/zinc/92/21/82/530922182.db2.gz	UJPNGUQZYLCQIY-NHYWBVRUSA-N	1	1	388.281	1.767	10	0		GDAEMO
COCC[N@H+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)C[C@@H]1C	ZINC000119160297	530922186	/nfs/dbraw/zinc/92/21/86/530922186.db2.gz	UJPNGUQZYLCQIY-NHYWBVRUSA-N	1	1	388.281	1.767	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000192195089	530964150	/nfs/dbraw/zinc/96/41/50/530964150.db2.gz	YDFOFXKJWGGVHO-ZIAGYGMSSA-N	1	1	393.285	1.548	10	0		GDAEMO
O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1	ZINC000193970163	530997067	/nfs/dbraw/zinc/99/70/67/530997067.db2.gz	NBKAGJRBTMRVQC-GDBMZVCRSA-N	1	1	383.286	1.932	10	0		GDAEMO
CS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1Br	ZINC000195028065	531014374	/nfs/dbraw/zinc/01/43/74/531014374.db2.gz	AXTWOEVJRAASRJ-LBPRGKRZSA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000195028065	531014377	/nfs/dbraw/zinc/01/43/77/531014377.db2.gz	AXTWOEVJRAASRJ-LBPRGKRZSA-N	1	1	387.299	1.773	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1C[C@H](C)O	ZINC000245654484	531059849	/nfs/dbraw/zinc/05/98/49/531059849.db2.gz	KWPHKFKLWYFLPS-FZMZJTMJSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000245654484	531059852	/nfs/dbraw/zinc/05/98/52/531059852.db2.gz	KWPHKFKLWYFLPS-FZMZJTMJSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000247383555	531074378	/nfs/dbraw/zinc/07/43/78/531074378.db2.gz	PYFNZWAJAGDCOM-XJKSGUPXSA-N	1	1	387.933	1.805	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C	ZINC000248667881	531080782	/nfs/dbraw/zinc/08/07/82/531080782.db2.gz	XHGWVVZKFSPTBA-RYUDHWBXSA-N	1	1	386.290	1.751	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248736229	531081733	/nfs/dbraw/zinc/08/17/33/531081733.db2.gz	KWEUGZABNLLJNG-MQIPJXDCSA-N	1	1	383.286	1.666	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248736229	531081735	/nfs/dbraw/zinc/08/17/35/531081735.db2.gz	KWEUGZABNLLJNG-MQIPJXDCSA-N	1	1	383.286	1.666	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248736225	531082024	/nfs/dbraw/zinc/08/20/24/531082024.db2.gz	KWEUGZABNLLJNG-BFQNTYOBSA-N	1	1	383.286	1.666	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@H]1C	ZINC000248736225	531082027	/nfs/dbraw/zinc/08/20/27/531082027.db2.gz	KWEUGZABNLLJNG-BFQNTYOBSA-N	1	1	383.286	1.666	10	0		GDAEMO
CC[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000252352748	531090393	/nfs/dbraw/zinc/09/03/93/531090393.db2.gz	MJDFMJGWRSDGJG-DAXOMENPSA-N	1	1	384.318	1.753	10	0		GDAEMO
CN(CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)C(=O)c1ccc(Br)o1	ZINC000408021612	531212004	/nfs/dbraw/zinc/21/20/04/531212004.db2.gz	IQQHBGYLHNYMFY-LBPRGKRZSA-N	1	1	384.274	1.811	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2nnc3ccc(Br)cn32)C1	ZINC000333632830	532243334	/nfs/dbraw/zinc/24/33/34/532243334.db2.gz	HSWJRWUEUMAQQD-ZYHUDNBSSA-N	1	1	381.278	2.342	10	0		GDAEMO
Cc1cc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)sc1Br	ZINC000404110844	532306086	/nfs/dbraw/zinc/30/60/86/532306086.db2.gz	JPRSWWOZBYXPOV-ZJUUUORDSA-N	1	1	381.317	1.570	10	0		GDAEMO
CNC(=O)c1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCCN(S(C)(=O)=O)C2)n1C	ZINC000328654160	206238390	/nfs/dbraw/zinc/23/83/90/206238390.db2.gz	XGUNIGPYEBVGEA-NVXWUHKLSA-N	1	1	396.557	1.583	10	0		GDAEMO
CC[C@@H]1C[N@@H+](CCC(=O)N2CCC[C@H]2C(N)=O)Cc2cc(OC)ccc2O1	ZINC000299778540	209086652	/nfs/dbraw/zinc/08/66/52/209086652.db2.gz	PVSZQFCRHDYLEP-WBVHZDCISA-N	1	1	375.469	1.535	10	0		GDAEMO
COc1c(C[N@H+]2CCC[C@@H](c3n[nH]cc3CN3CCOCC3)C2)c(C)nn1C	ZINC000583616224	570801566	/nfs/dbraw/zinc/80/15/66/570801566.db2.gz	WQRNMPVJHBBUBL-MRXNPFEDSA-N	1	1	388.516	1.672	10	0		GDAEMO
Cc1ncsc1C[N@@H+]1C[C@H](C(=O)N2CCS(=O)CC2)[C@@H](C(F)(F)F)C1	ZINC000888103175	657863611	/nfs/dbraw/zinc/86/36/11/657863611.db2.gz	MPULAWJVVFWXHZ-RYUDHWBXSA-N	1	1	395.472	1.653	10	0		GDAEMO
Cc1ncsc1C[N@H+]1C[C@H](C(=O)N2CCS(=O)CC2)[C@@H](C(F)(F)F)C1	ZINC000888103175	657863621	/nfs/dbraw/zinc/86/36/21/657863621.db2.gz	MPULAWJVVFWXHZ-RYUDHWBXSA-N	1	1	395.472	1.653	10	0		GDAEMO
Cn1ncc(Cl)c1C(=O)NC(=S)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020076762	530569181	/nfs/dbraw/zinc/56/91/81/530569181.db2.gz	KYFNNNCMKZJQCV-UHFFFAOYSA-N	1	1	377.901	1.906	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O	ZINC000177616999	530706836	/nfs/dbraw/zinc/70/68/36/530706836.db2.gz	CJSINVAPRUOTSV-CHWSQXEVSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1C[C@@H](C)O	ZINC000177616999	530706839	/nfs/dbraw/zinc/70/68/39/530706839.db2.gz	CJSINVAPRUOTSV-CHWSQXEVSA-N	1	1	398.301	1.691	10	0		GDAEMO
O=C(Nc1ccc(I)cc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177697364	530709491	/nfs/dbraw/zinc/70/94/91/530709491.db2.gz	WTZQQSOHMRQGBP-ZDUSSCGKSA-N	1	1	399.232	1.536	10	0		GDAEMO
O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000180125290	530758339	/nfs/dbraw/zinc/75/83/39/530758339.db2.gz	KTCXZDCPWHWPHQ-JTQLQIEISA-N	1	1	388.212	1.972	10	0		GDAEMO
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC[N@H+](C3CC3)CC2)c1	ZINC000179725855	530748463	/nfs/dbraw/zinc/74/84/63/530748463.db2.gz	BOHPEWIRRHSYSO-UHFFFAOYSA-N	1	1	375.853	1.437	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)s1	ZINC000113444969	530890022	/nfs/dbraw/zinc/89/00/22/530890022.db2.gz	HYVWSONDABJPLV-WDEREUQCSA-N	1	1	386.315	1.936	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1	ZINC000189455876	530913709	/nfs/dbraw/zinc/91/37/09/530913709.db2.gz	ISOAZASTSHVBRS-CYBMUJFWSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1	ZINC000189452164	530913840	/nfs/dbraw/zinc/91/38/40/530913840.db2.gz	COJKKHCSTXZSLZ-LBPRGKRZSA-N	1	1	384.274	1.303	10	0		GDAEMO
C[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000121665111	530960426	/nfs/dbraw/zinc/96/04/26/530960426.db2.gz	XEBXEPMCCBAPRI-QGZVFWFLSA-N	1	1	390.933	1.573	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)ccc1Br	ZINC000193145278	530980092	/nfs/dbraw/zinc/98/00/92/530980092.db2.gz	QOADMSXBGGMUPT-UHFFFAOYSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1ccc(N2CCC(NC(=O)c3csc(S(N)(=O)=O)c3)CC2)[nH+]c1	ZINC000124266091	530993799	/nfs/dbraw/zinc/99/37/99/530993799.db2.gz	SMKMGTXLMNPORI-UHFFFAOYSA-N	1	1	380.495	1.498	10	0		GDAEMO
O=C(CNC(=O)c1cccc(Br)c1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000195319130	531020502	/nfs/dbraw/zinc/02/05/02/531020502.db2.gz	FDADLLSREFRHRL-HNNXBMFYSA-N	1	1	380.286	1.876	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1	ZINC000194120549	531000001	/nfs/dbraw/zinc/00/00/01/531000001.db2.gz	XHFFFAYXZLBOOZ-GFCCVEGCSA-N	1	1	399.289	1.006	10	0		GDAEMO
CN(CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)S(=O)(=O)c1cccs1	ZINC000246309796	531066071	/nfs/dbraw/zinc/06/60/71/531066071.db2.gz	JSCGVOWRLSZXND-AWEZNQCLSA-N	1	1	386.543	1.248	10	0		GDAEMO
COCC[N@@H+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@H]1C	ZINC000247016033	531071757	/nfs/dbraw/zinc/07/17/57/531071757.db2.gz	UJPNGUQZYLCQIY-IAQYHMDHSA-N	1	1	388.281	1.767	10	0		GDAEMO
COCC[N@H+]1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)C[C@H]1C	ZINC000247016033	531071760	/nfs/dbraw/zinc/07/17/60/531071760.db2.gz	UJPNGUQZYLCQIY-IAQYHMDHSA-N	1	1	388.281	1.767	10	0		GDAEMO
Cc1cccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2Cc3ccccc3C2)n1	ZINC000019866247	207168546	/nfs/dbraw/zinc/16/85/46/207168546.db2.gz	UOLJGKAIIIRJAB-OAQYLSRUSA-N	1	1	392.503	1.407	10	0		GDAEMO
Cc1cccc(CCNC(=O)C[C@@H]2C(=O)NCC[N@H+]2C2Cc3ccccc3C2)n1	ZINC000019866247	207168551	/nfs/dbraw/zinc/16/85/51/207168551.db2.gz	UOLJGKAIIIRJAB-OAQYLSRUSA-N	1	1	392.503	1.407	10	0		GDAEMO
OCC[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H](O)Cn1ccc2ccccc21	ZINC000020807838	207215814	/nfs/dbraw/zinc/21/58/14/207215814.db2.gz	RODUSPUSKAHDBZ-FGZHOGPDSA-N	1	1	398.503	1.874	10	0		GDAEMO
CC(C)OCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1	ZINC000046141005	207672730	/nfs/dbraw/zinc/67/27/30/207672730.db2.gz	BQXQLAVHDCKTAM-UHFFFAOYSA-N	1	1	397.541	1.179	10	0		GDAEMO
CN(C)C(=O)[C@@]12C[N@@H+](Cc3cnn(C)c3)C[C@@H]1CN(C(=O)c1ccoc1)CCC2	ZINC000096083062	208260640	/nfs/dbraw/zinc/26/06/40/208260640.db2.gz	GIHWZEAAQWOBKK-NQIIRXRSSA-N	1	1	399.495	1.456	10	0		GDAEMO
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1	ZINC000045966768	570649991	/nfs/dbraw/zinc/64/99/91/570649991.db2.gz	YPQMEOWSJQMOFR-FQEVSTJZSA-N	1	1	386.540	1.743	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(C)c1	ZINC000045966768	570649993	/nfs/dbraw/zinc/64/99/93/570649993.db2.gz	YPQMEOWSJQMOFR-FQEVSTJZSA-N	1	1	386.540	1.743	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCOC[C@H]1C	ZINC000301437184	645235164	/nfs/dbraw/zinc/23/51/64/645235164.db2.gz	MYGOXAJKRWOHMU-GHMZBOCLSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@H+]1CCOC[C@H]1C	ZINC000301437184	645235166	/nfs/dbraw/zinc/23/51/66/645235166.db2.gz	MYGOXAJKRWOHMU-GHMZBOCLSA-N	1	1	381.420	1.874	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000163599529	530576158	/nfs/dbraw/zinc/57/61/58/530576158.db2.gz	JPOJZCCCGHKRAR-CYBMUJFWSA-N	1	1	392.257	1.979	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000172253875	530610270	/nfs/dbraw/zinc/61/02/70/530610270.db2.gz	QEAWRPQRXDNMKS-UKRRQHHQSA-N	1	1	385.917	1.992	10	0		GDAEMO
Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)s1	ZINC000178451208	530721001	/nfs/dbraw/zinc/72/10/01/530721001.db2.gz	DBVGDKSTSXYEGA-CQSZACIVSA-N	1	1	386.543	1.133	10	0		GDAEMO
C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1[NH+]1CCOCC1	ZINC000177969141	530713541	/nfs/dbraw/zinc/71/35/41/530713541.db2.gz	KZZXYEASHADYSR-FZMZJTMJSA-N	1	1	399.289	1.332	10	0		GDAEMO
O=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000179108776	530735482	/nfs/dbraw/zinc/73/54/82/530735482.db2.gz	LCMOCADQYNGFJU-NSHDSACASA-N	1	1	392.934	1.169	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cnn3cc(Br)cnc23)cn1	ZINC000181435445	530783622	/nfs/dbraw/zinc/78/36/22/530783622.db2.gz	YRUBOIBPSNWKQG-CYBMUJFWSA-N	1	1	390.245	1.012	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000113444796	530890111	/nfs/dbraw/zinc/89/01/11/530890111.db2.gz	JTGCAXLUXDBLTF-UONOGXRCSA-N	1	1	385.917	1.704	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1	ZINC000192137597	530962847	/nfs/dbraw/zinc/96/28/47/530962847.db2.gz	VEBQDMDJUYSDJP-CYBMUJFWSA-N	1	1	384.322	1.425	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000122071158	530966061	/nfs/dbraw/zinc/96/60/61/530966061.db2.gz	DNDDENOTAQNEKS-GXTWGEPZSA-N	1	1	385.917	1.899	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1Br	ZINC000194146307	531000093	/nfs/dbraw/zinc/00/00/93/531000093.db2.gz	SXAAMVUPIPRXAA-CMPLNLGQSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1	ZINC000194272490	531001608	/nfs/dbraw/zinc/00/16/08/531001608.db2.gz	OLVHMCOFPDYJAA-ZBFHGGJFSA-N	1	1	383.286	1.668	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000246123634	531063527	/nfs/dbraw/zinc/06/35/27/531063527.db2.gz	QDRWPNSAMDULSX-NEPJUHHUSA-N	1	1	379.404	1.880	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000245535894	531058496	/nfs/dbraw/zinc/05/84/96/531058496.db2.gz	KXKWBKLJUKZRAT-CHWSQXEVSA-N	1	1	397.324	1.747	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000245535894	531058500	/nfs/dbraw/zinc/05/85/00/531058500.db2.gz	KXKWBKLJUKZRAT-CHWSQXEVSA-N	1	1	397.324	1.747	10	0		GDAEMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(Br)cn2)C1	ZINC000248737074	531081982	/nfs/dbraw/zinc/08/19/82/531081982.db2.gz	NNUPNMGCZZPIHJ-AAEUAGOBSA-N	1	1	381.274	1.725	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@H+]3CCC[C@H]3C2)s1	ZINC000249842709	531089873	/nfs/dbraw/zinc/08/98/73/531089873.db2.gz	YFCQYFOGOZEAQS-GJZGRUSLSA-N	1	1	383.539	1.516	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1CCOC	ZINC000154139848	531178514	/nfs/dbraw/zinc/17/85/14/531178514.db2.gz	LSCQQNVPCSAUGW-AWEZNQCLSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1CCOC	ZINC000154139848	531178517	/nfs/dbraw/zinc/17/85/17/531178517.db2.gz	LSCQQNVPCSAUGW-AWEZNQCLSA-N	1	1	399.289	1.352	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000329566373	532105660	/nfs/dbraw/zinc/10/56/60/532105660.db2.gz	STCOUAMASOCGPB-ZFWWWQNUSA-N	1	1	385.917	1.704	10	0		GDAEMO
C/C=C(\C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12	ZINC000033821035	291103694	/nfs/dbraw/zinc/10/36/94/291103694.db2.gz	MVWPTZQHBOWRTF-MVEITQORSA-N	1	1	381.469	1.190	10	0	biogenic,in-vitro	GDAEMO
CC(C)(C)C[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-n2cccn2)c1	ZINC000012443383	570677790	/nfs/dbraw/zinc/67/77/90/570677790.db2.gz	ZLVHPASXVSQWRU-GOSISDBHSA-N	1	1	383.496	1.725	10	0		GDAEMO
CC(C)(C)C[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1cccc(-n2cccn2)c1	ZINC000012443383	570677795	/nfs/dbraw/zinc/67/77/95/570677795.db2.gz	ZLVHPASXVSQWRU-GOSISDBHSA-N	1	1	383.496	1.725	10	0		GDAEMO
CC(C)N1CCn2nc(C(=O)N3CCCC[C@H]3CC[NH+]3CCOCC3)cc2C1	ZINC000065502292	570771091	/nfs/dbraw/zinc/77/10/91/570771091.db2.gz	ZIVVFUDCWOHKRS-SFHVURJKSA-N	1	1	389.544	1.824	10	0		GDAEMO
COCCN(C[C@H]1C[N@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000105022807	570913251	/nfs/dbraw/zinc/91/32/51/570913251.db2.gz	LWKAOHJBCXNHAN-MOPGFXCFSA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCN(C[C@H]1C[N@@H+](C[C@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000105022807	570913253	/nfs/dbraw/zinc/91/32/53/570913253.db2.gz	LWKAOHJBCXNHAN-MOPGFXCFSA-N	1	1	382.476	1.632	10	0		GDAEMO
S=c1n(CN2CC[C@@H]([NH+]3CCOCC3)C2)nnn1-c1ccc(Cl)cc1	ZINC000172961657	644886175	/nfs/dbraw/zinc/88/61/75/644886175.db2.gz	PUNQBXFWYFTEJZ-OAHLLOKOSA-N	1	1	380.905	1.816	10	0		GDAEMO
CC(=O)N(c1nn(CN2CC[C@@H]([NH+]3CCOCC3)C2)c(=S)s1)C1CC1	ZINC000172962157	644886362	/nfs/dbraw/zinc/88/63/62/644886362.db2.gz	PVMSTNXSQXVVEM-CQSZACIVSA-N	1	1	383.543	1.553	10	0		GDAEMO
O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc(Br)c1	ZINC000171906104	530604988	/nfs/dbraw/zinc/60/49/88/530604988.db2.gz	GWISHKVFWMLVHQ-HNNXBMFYSA-N	1	1	395.301	1.669	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C	ZINC000174312957	530645969	/nfs/dbraw/zinc/64/59/69/530645969.db2.gz	XCXJXSRBDKVIJU-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C	ZINC000174312957	530645971	/nfs/dbraw/zinc/64/59/71/530645971.db2.gz	XCXJXSRBDKVIJU-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000176997286	530695716	/nfs/dbraw/zinc/69/57/16/530695716.db2.gz	SAGGTAKYEYZYBH-AWEZNQCLSA-N	1	1	380.539	1.932	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000177207742	530699722	/nfs/dbraw/zinc/69/97/22/530699722.db2.gz	YYABCYVTLHPFKM-GFCCVEGCSA-N	1	1	390.245	1.697	10	0		GDAEMO
O=C(c1ccc(Br)cc1-n1cncn1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000179342204	530738577	/nfs/dbraw/zinc/73/85/77/530738577.db2.gz	ABGHLHSJRMKJGQ-ZDUSSCGKSA-N	1	1	376.258	1.950	10	0		GDAEMO
CN(C)c1nc2sc(C(=O)N3CC[NH2+]C[C@@H]3c3cnn(C)c3)cc2s1	ZINC000181398451	530783038	/nfs/dbraw/zinc/78/30/38/530783038.db2.gz	DBDPCFDXQAJNEV-LLVKDONJSA-N	1	1	376.511	1.944	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)s1	ZINC000104501495	530838316	/nfs/dbraw/zinc/83/83/16/530838316.db2.gz	QBDYDIBMZDXYFM-HUUCEWRRSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000188121106	530885826	/nfs/dbraw/zinc/88/58/26/530885826.db2.gz	NWZFRIYYFXQJOV-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1	ZINC000188121106	530885828	/nfs/dbraw/zinc/88/58/28/530885828.db2.gz	NWZFRIYYFXQJOV-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190505200	530931761	/nfs/dbraw/zinc/93/17/61/530931761.db2.gz	FVESMDANACKIMM-MRXNPFEDSA-N	1	1	376.563	1.938	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C	ZINC000190597250	530933384	/nfs/dbraw/zinc/93/33/84/530933384.db2.gz	KPSIESFVXZFNAG-VHSXEESVSA-N	1	1	392.258	1.985	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@@H]1C	ZINC000190597250	530933387	/nfs/dbraw/zinc/93/33/87/530933387.db2.gz	KPSIESFVXZFNAG-VHSXEESVSA-N	1	1	392.258	1.985	10	0		GDAEMO
O=C(CNC(=O)CN1CC[N@H+]2CCC[C@H]2C1)Nc1ccccc1Br	ZINC000246234772	531064886	/nfs/dbraw/zinc/06/48/86/531064886.db2.gz	CRZHKIJJVMXNFC-ZDUSSCGKSA-N	1	1	395.301	1.284	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000245802720	531060764	/nfs/dbraw/zinc/06/07/64/531060764.db2.gz	PNSDFORQBHDSJZ-MNOVXSKESA-N	1	1	389.880	1.825	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C	ZINC000248664163	531080944	/nfs/dbraw/zinc/08/09/44/531080944.db2.gz	KPSIESFVXZFNAG-ZJUUUORDSA-N	1	1	392.258	1.985	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C	ZINC000248664163	531080945	/nfs/dbraw/zinc/08/09/45/531080945.db2.gz	KPSIESFVXZFNAG-ZJUUUORDSA-N	1	1	392.258	1.985	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000246733878	531069768	/nfs/dbraw/zinc/06/97/68/531069768.db2.gz	OWCUKRYHYWKHJU-YPMHNXCESA-N	1	1	394.273	1.991	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1Br	ZINC000247125319	531072764	/nfs/dbraw/zinc/07/27/64/531072764.db2.gz	RZPWVNZSNHCGRZ-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1Br	ZINC000247125319	531072768	/nfs/dbraw/zinc/07/27/68/531072768.db2.gz	RZPWVNZSNHCGRZ-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C)C2)s1	ZINC000408111759	531219832	/nfs/dbraw/zinc/21/98/32/531219832.db2.gz	DWYXWZYVYIZBNI-ZFWWWQNUSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[N@H+](C)C[C@@H]3C)C2)s1	ZINC000408111759	531219848	/nfs/dbraw/zinc/21/98/48/531219848.db2.gz	DWYXWZYVYIZBNI-ZFWWWQNUSA-N	1	1	385.555	1.620	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)cc1OC	ZINC000285200452	532047629	/nfs/dbraw/zinc/04/76/29/532047629.db2.gz	VUTIPSBDUXUJLT-OLZOCXBDSA-N	1	1	390.889	1.451	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)cc1OC	ZINC000285200452	532047634	/nfs/dbraw/zinc/04/76/34/532047634.db2.gz	VUTIPSBDUXUJLT-OLZOCXBDSA-N	1	1	390.889	1.451	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F	ZINC000289774800	532332109	/nfs/dbraw/zinc/33/21/09/532332109.db2.gz	RLCGKUWJXUSNLV-TZMCWYRMSA-N	1	1	376.404	1.817	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1C[N@@H+](Cc2ccc3c[nH]nc3c2)C[C@H]1C(F)(F)F	ZINC000289774800	532332110	/nfs/dbraw/zinc/33/21/10/532332110.db2.gz	RLCGKUWJXUSNLV-TZMCWYRMSA-N	1	1	376.404	1.817	10	0		GDAEMO
CNC(=O)c1ccc([C@H]2CCCC[N@H+]2C[C@H](O)COC2CCOCC2)n1C	ZINC000328624185	206235602	/nfs/dbraw/zinc/23/56/02/206235602.db2.gz	CFZQHDJPZWKQFK-MAUKXSAKSA-N	1	1	379.501	1.468	10	0		GDAEMO
Cc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)C1)OCC(=O)N2	ZINC000015822143	207062031	/nfs/dbraw/zinc/06/20/31/207062031.db2.gz	UDWKUKCLXGKIAO-ZDUSSCGKSA-N	1	1	381.498	1.726	10	0		GDAEMO
COCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc4cccc(OC)c4n3)C[C@]2(C(=O)[O-])C1	ZINC000096151352	208275561	/nfs/dbraw/zinc/27/55/61/208275561.db2.gz	WQQYGFPVIOTWNY-IIBYNOLFSA-N	1	1	385.464	1.708	10	0		GDAEMO
COCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc4cccc(OC)c4n3)C[C@]2(C(=O)[O-])C1	ZINC000096151352	208275566	/nfs/dbraw/zinc/27/55/66/208275566.db2.gz	WQQYGFPVIOTWNY-IIBYNOLFSA-N	1	1	385.464	1.708	10	0		GDAEMO
COCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc4cccc(OC)c4n3)C[C@]2(C(=O)[O-])C1	ZINC000096151352	208275572	/nfs/dbraw/zinc/27/55/72/208275572.db2.gz	WQQYGFPVIOTWNY-IIBYNOLFSA-N	1	1	385.464	1.708	10	0		GDAEMO
COCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc4cccc(OC)c4n3)C[C@]2(C(=O)[O-])C1	ZINC000096151352	208275575	/nfs/dbraw/zinc/27/55/75/208275575.db2.gz	WQQYGFPVIOTWNY-IIBYNOLFSA-N	1	1	385.464	1.708	10	0		GDAEMO
Cc1cccc(C(=O)N(CC[N@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)c1	ZINC000033032726	570670097	/nfs/dbraw/zinc/67/00/97/570670097.db2.gz	GKOCAURQBQTEIH-IBGZPJMESA-N	1	1	386.540	1.743	10	0		GDAEMO
Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CCNCC2)c1	ZINC000033032726	570670101	/nfs/dbraw/zinc/67/01/01/570670101.db2.gz	GKOCAURQBQTEIH-IBGZPJMESA-N	1	1	386.540	1.743	10	0		GDAEMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000091744748	644589158	/nfs/dbraw/zinc/58/91/58/644589158.db2.gz	SKKYVKDCYPCVJS-IUODEOHRSA-N	1	1	386.905	1.338	10	0		GDAEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000160402215	644848001	/nfs/dbraw/zinc/84/80/01/644848001.db2.gz	ZJPGWAYRESITKW-LLVKDONJSA-N	1	1	391.896	1.977	10	0		GDAEMO
COCC[N@H+]1CCN(Cn2nc(Br)nc2Br)C[C@@H]1C	ZINC000175236216	644904188	/nfs/dbraw/zinc/90/41/88/644904188.db2.gz	AXTUPHUOERQSOG-VIFPVBQESA-N	1	1	397.115	1.413	10	0		GDAEMO
O=C1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@@H]2N1	ZINC000177050660	530696009	/nfs/dbraw/zinc/69/60/09/530696009.db2.gz	KSJFVIVKYVJPDT-BPUTZDHNSA-N	1	1	383.286	1.932	10	0		GDAEMO
O=C1C[N@H+](C[C@H](O)COc2cccc(Br)c2)[C@H]2CCCC[C@@H]2N1	ZINC000177050660	530696012	/nfs/dbraw/zinc/69/60/12/530696012.db2.gz	KSJFVIVKYVJPDT-BPUTZDHNSA-N	1	1	383.286	1.932	10	0		GDAEMO
COc1ccc(Br)c(C(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1	ZINC000181337669	530781519	/nfs/dbraw/zinc/78/15/19/530781519.db2.gz	MEUFSXKOHYOOFE-HNNXBMFYSA-N	1	1	379.258	1.978	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cncc(I)c2)cn1	ZINC000181443635	530783652	/nfs/dbraw/zinc/78/36/52/530783652.db2.gz	MTWOVBWACOCNPM-ZDUSSCGKSA-N	1	1	397.220	1.206	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1	ZINC000106403672	530847810	/nfs/dbraw/zinc/84/78/10/530847810.db2.gz	SURNEEXBPKIVES-OAHLLOKOSA-N	1	1	398.301	1.094	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C	ZINC000106100825	530845739	/nfs/dbraw/zinc/84/57/39/530845739.db2.gz	MFTZTMUQYNQKDJ-HUUCEWRRSA-N	1	1	398.345	1.794	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1C	ZINC000117282199	530911748	/nfs/dbraw/zinc/91/17/48/530911748.db2.gz	NWRRRTFQCVXSIV-ZDUSSCGKSA-N	1	1	386.290	1.180	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)Cn2cc(Br)ccc2=O)C[C@@H]1C	ZINC000117282199	530911750	/nfs/dbraw/zinc/91/17/50/530911750.db2.gz	NWRRRTFQCVXSIV-ZDUSSCGKSA-N	1	1	386.290	1.180	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000188176057	530888042	/nfs/dbraw/zinc/88/80/42/530888042.db2.gz	YWOCHAOJLBRLCC-WDEREUQCSA-N	1	1	386.290	1.688	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000188176057	530888045	/nfs/dbraw/zinc/88/80/45/530888045.db2.gz	YWOCHAOJLBRLCC-WDEREUQCSA-N	1	1	386.290	1.688	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1Br	ZINC000190354304	530929247	/nfs/dbraw/zinc/92/92/47/530929247.db2.gz	JIWVRBKPGQUJMM-VXGBXAGGSA-N	1	1	381.274	1.868	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000122070993	530965839	/nfs/dbraw/zinc/96/58/39/530965839.db2.gz	DNDDENOTAQNEKS-TZMCWYRMSA-N	1	1	385.917	1.899	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1	ZINC000192195071	530964191	/nfs/dbraw/zinc/96/41/91/530964191.db2.gz	YDFOFXKJWGGVHO-KBPBESRZSA-N	1	1	393.285	1.548	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c(Br)cn2)CC1	ZINC000194120535	531000138	/nfs/dbraw/zinc/00/01/38/531000138.db2.gz	XHFFFAYXZLBOOZ-LBPRGKRZSA-N	1	1	399.289	1.006	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1C	ZINC000246060122	531062904	/nfs/dbraw/zinc/06/29/04/531062904.db2.gz	RDMMKRWRIYGKPY-QWRGUYRKSA-N	1	1	387.278	1.067	10	0		GDAEMO
O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000245620505	531058866	/nfs/dbraw/zinc/05/88/66/531058866.db2.gz	NZVJRSOFYDIIHP-LSDHHAIUSA-N	1	1	381.885	1.649	10	0		GDAEMO
O=S(=O)(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(Cl)nc1	ZINC000245620505	531058867	/nfs/dbraw/zinc/05/88/67/531058867.db2.gz	NZVJRSOFYDIIHP-LSDHHAIUSA-N	1	1	381.885	1.649	10	0		GDAEMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cncc(Br)c3)CC[C@H]21	ZINC000245650272	531059212	/nfs/dbraw/zinc/05/92/12/531059212.db2.gz	JWNNCJSFMLOVCZ-SMDDNHRTSA-N	1	1	381.274	1.725	10	0		GDAEMO
O=C(CSc1nncs1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO	ZINC000245589428	531059354	/nfs/dbraw/zinc/05/93/54/531059354.db2.gz	OGBIELTZRDCXSV-GJZGRUSLSA-N	1	1	378.523	1.629	10	0		GDAEMO
Cc1nc([C@@H]2CN(C[C@@H](O)COc3cccc(Br)c3)CCO2)n[nH]1	ZINC000247509753	531075064	/nfs/dbraw/zinc/07/50/64/531075064.db2.gz	MJWWINAOHZCHAY-HIFRSBDPSA-N	1	1	397.273	1.689	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1	ZINC000248598710	531079867	/nfs/dbraw/zinc/07/98/67/531079867.db2.gz	ULOAWOUYCDCGAT-KGLIPLIRSA-N	1	1	376.906	1.402	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1	ZINC000248598710	531079872	/nfs/dbraw/zinc/07/98/72/531079872.db2.gz	ULOAWOUYCDCGAT-KGLIPLIRSA-N	1	1	376.906	1.402	10	0		GDAEMO
NC(=O)c1ccsc1NC(=O)CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249584092	531088068	/nfs/dbraw/zinc/08/80/68/531088068.db2.gz	SFVQPMOGUDSKKS-JSGCOSHPSA-N	1	1	379.507	1.945	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1C	ZINC000246889356	531070153	/nfs/dbraw/zinc/07/01/53/531070153.db2.gz	XCXJXSRBDKVIJU-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@H]1C	ZINC000246889356	531070155	/nfs/dbraw/zinc/07/01/55/531070155.db2.gz	XCXJXSRBDKVIJU-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc(I)c2)C[C@H]1C	ZINC000246895266	531070189	/nfs/dbraw/zinc/07/01/89/531070189.db2.gz	XJAWHGDSQFAZJM-ZJUUUORDSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2csc(I)c2)C[C@H]1C	ZINC000246895266	531070192	/nfs/dbraw/zinc/07/01/92/531070192.db2.gz	XJAWHGDSQFAZJM-ZJUUUORDSA-N	1	1	394.278	1.880	10	0		GDAEMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H](O)COc1cccc(Br)c1	ZINC000246831405	531070218	/nfs/dbraw/zinc/07/02/18/531070218.db2.gz	CTIKFPKOPHETFV-MBNYWOFBSA-N	1	1	394.331	1.942	10	0		GDAEMO
C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H](O)COc1cccc(Br)c1	ZINC000246831405	531070219	/nfs/dbraw/zinc/07/02/19/531070219.db2.gz	CTIKFPKOPHETFV-MBNYWOFBSA-N	1	1	394.331	1.942	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247105258	531071880	/nfs/dbraw/zinc/07/18/80/531071880.db2.gz	QRLIIOWDNVELAG-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000247105258	531071881	/nfs/dbraw/zinc/07/18/81/531071881.db2.gz	QRLIIOWDNVELAG-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)s1	ZINC000247085415	531071964	/nfs/dbraw/zinc/07/19/64/531071964.db2.gz	HYVWSONDABJPLV-MNOVXSKESA-N	1	1	386.315	1.936	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1	ZINC000158208354	531207898	/nfs/dbraw/zinc/20/78/98/531207898.db2.gz	UBEAJCQZSVDASQ-AWEZNQCLSA-N	1	1	385.302	1.915	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@@H]2C1	ZINC000284983396	532014406	/nfs/dbraw/zinc/01/44/06/532014406.db2.gz	KNNKROPSHXNFPF-KGLIPLIRSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@@H]2C1	ZINC000284983396	532014413	/nfs/dbraw/zinc/01/44/13/532014413.db2.gz	KNNKROPSHXNFPF-KGLIPLIRSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCOC[C@@H]1C	ZINC000301395226	532033315	/nfs/dbraw/zinc/03/33/15/532033315.db2.gz	LFKQXXJGGVIWGJ-MNOVXSKESA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@H+]1CCOC[C@@H]1C	ZINC000301395226	532033322	/nfs/dbraw/zinc/03/33/22/532033322.db2.gz	LFKQXXJGGVIWGJ-MNOVXSKESA-N	1	1	381.420	1.874	10	0		GDAEMO
Cc1cccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)n1	ZINC000020452675	207192679	/nfs/dbraw/zinc/19/26/79/207192679.db2.gz	VAALGLAMHCQMEC-QGZVFWFLSA-N	1	1	392.529	1.286	10	0		GDAEMO
Cc1cc(C)c2c(-n3cccc3)nn(CC(=O)NCCC[NH+]3CCOCC3)c2n1	ZINC000020992666	207222828	/nfs/dbraw/zinc/22/28/28/207222828.db2.gz	AZMBNAXBTVHIKQ-UHFFFAOYSA-N	1	1	396.495	1.677	10	0		GDAEMO
Cc1cccc2[nH]c(CN(C)C(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)nc21	ZINC000012305561	570299352	/nfs/dbraw/zinc/29/93/52/570299352.db2.gz	DTNCWCCLFNVBFX-QGZVFWFLSA-N	1	1	383.496	1.963	10	0		GDAEMO
Cc1cccc2nc(CN(C)C(=O)C[C@@H]3C(=O)NCC[N@@H+]3C3CCCC3)[nH]c21	ZINC000012305561	570299354	/nfs/dbraw/zinc/29/93/54/570299354.db2.gz	DTNCWCCLFNVBFX-QGZVFWFLSA-N	1	1	383.496	1.963	10	0		GDAEMO
Cc1cccc2nc(CN(C)C(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)[nH]c21	ZINC000012305561	570299355	/nfs/dbraw/zinc/29/93/55/570299355.db2.gz	DTNCWCCLFNVBFX-QGZVFWFLSA-N	1	1	383.496	1.963	10	0		GDAEMO
CCOC(=O)c1n[nH]cc1C[NH+]1CCC(CCC(=O)NC[C@H]2CCCO2)CC1	ZINC000012314814	570304367	/nfs/dbraw/zinc/30/43/67/570304367.db2.gz	VBICLTVRQHEHEE-QGZVFWFLSA-N	1	1	392.500	1.874	10	0		GDAEMO
COCCN(C)c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)c(=O)c1	ZINC000583619590	570800484	/nfs/dbraw/zinc/80/04/84/570800484.db2.gz	YOLUBIKLQHUYEA-UYAOXDASSA-N	1	1	386.496	1.696	10	0		GDAEMO
CC[C@@H]1CN(Cn2nc(N3CCOCC3)sc2=S)CC[N@H+]1CCOC	ZINC000117324200	644650676	/nfs/dbraw/zinc/65/06/76/644650676.db2.gz	IOJFIEQCJVQTEC-CQSZACIVSA-N	1	1	387.575	1.511	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CC[N@H+]1C[C@@H](C)O	ZINC000183206176	644968296	/nfs/dbraw/zinc/96/82/96/644968296.db2.gz	UNBHDNRBEOFLGJ-NEPJUHHUSA-N	1	1	386.290	1.770	10	0		GDAEMO
CC(C)[N@@H+]1C[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)[C@@H](C)C1	ZINC000159305906	530542532	/nfs/dbraw/zinc/54/25/32/530542532.db2.gz	QPLIDJPPLFJBJY-KBPBESRZSA-N	1	1	388.559	1.397	10	0		GDAEMO
CC(=O)Nc1cc(F)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1Cl	ZINC000171770709	530602836	/nfs/dbraw/zinc/60/28/36/530602836.db2.gz	LCNBUQZDXUWZLV-LLVKDONJSA-N	1	1	375.853	1.906	10	0		GDAEMO
CC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O	ZINC000171836018	530604034	/nfs/dbraw/zinc/60/40/34/530604034.db2.gz	GFFHUJOBIAZMMM-GXTWGEPZSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H](C)CS(C)(=O)=O	ZINC000171836018	530604037	/nfs/dbraw/zinc/60/40/37/530604037.db2.gz	GFFHUJOBIAZMMM-GXTWGEPZSA-N	1	1	394.331	1.944	10	0		GDAEMO
O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1	ZINC000171903733	530604669	/nfs/dbraw/zinc/60/46/69/530604669.db2.gz	KZLDXJOFZXUWEI-OAHLLOKOSA-N	1	1	395.301	1.669	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000173455543	530630614	/nfs/dbraw/zinc/63/06/14/530630614.db2.gz	CEZDEYXDJZZXFT-DOMZBBRYSA-N	1	1	388.281	1.503	10	0		GDAEMO
O=S(=O)(c1cccc(I)c1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000172659295	530616416	/nfs/dbraw/zinc/61/64/16/530616416.db2.gz	WROOVZYMGDXLIT-GFCCVEGCSA-N	1	1	392.262	1.760	10	0		GDAEMO
COc1ccc(Br)c(C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1	ZINC000181337688	530781561	/nfs/dbraw/zinc/78/15/61/530781561.db2.gz	MEUFSXKOHYOOFE-OAHLLOKOSA-N	1	1	379.258	1.978	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2ccc(Br)cc2F)cn1	ZINC000181356962	530782451	/nfs/dbraw/zinc/78/24/51/530782451.db2.gz	ZMWYXVMIBKDJJO-CQSZACIVSA-N	1	1	397.248	1.874	10	0		GDAEMO
CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)CC2	ZINC000112551274	530882758	/nfs/dbraw/zinc/88/27/58/530882758.db2.gz	YVHRXTURELCCCJ-SWLSCSKDSA-N	1	1	378.274	1.734	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000113229907	530887825	/nfs/dbraw/zinc/88/78/25/530887825.db2.gz	OUIKWLNUDYMLJT-GHMZBOCLSA-N	1	1	377.919	1.375	10	0		GDAEMO
CCCS(=O)(=O)CC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1	ZINC000190506344	530931838	/nfs/dbraw/zinc/93/18/38/530931838.db2.gz	HUFRMRKVLWTRTG-INIZCTEOSA-N	1	1	376.563	1.939	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1	ZINC000190572452	530933587	/nfs/dbraw/zinc/93/35/87/530933587.db2.gz	VITUJTWFIOTPTG-CQSZACIVSA-N	1	1	387.571	1.945	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1	ZINC000190572452	530933590	/nfs/dbraw/zinc/93/35/90/530933590.db2.gz	VITUJTWFIOTPTG-CQSZACIVSA-N	1	1	387.571	1.945	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ncc1Br	ZINC000193458398	530987200	/nfs/dbraw/zinc/98/72/00/530987200.db2.gz	UWDRMOWIBDEHAO-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ncc1Br	ZINC000193458398	530987203	/nfs/dbraw/zinc/98/72/03/530987203.db2.gz	UWDRMOWIBDEHAO-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(=O)(=O)c1cccs1	ZINC000125485891	531006683	/nfs/dbraw/zinc/00/66/83/531006683.db2.gz	ONLHUHASKVBGSH-UONOGXRCSA-N	1	1	386.543	1.295	10	0		GDAEMO
O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195332434	531020848	/nfs/dbraw/zinc/02/08/48/531020848.db2.gz	OODTYMBTDFPTRV-CYBMUJFWSA-N	1	1	394.269	1.481	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000247266551	531073766	/nfs/dbraw/zinc/07/37/66/531073766.db2.gz	FPCLTKAKSYCDFT-HZPDHXFCSA-N	1	1	385.302	1.595	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247733237	531076259	/nfs/dbraw/zinc/07/62/59/531076259.db2.gz	MJNNATLJUXFKBY-DOTOQJQBSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000247733237	531076261	/nfs/dbraw/zinc/07/62/61/531076261.db2.gz	MJNNATLJUXFKBY-DOTOQJQBSA-N	1	1	396.285	1.786	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1	ZINC000252000116	531090593	/nfs/dbraw/zinc/09/05/93/531090593.db2.gz	WKQZPKCQJIKEMW-OCCSQVGLSA-N	1	1	388.559	1.348	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1	ZINC000252000116	531090596	/nfs/dbraw/zinc/09/05/96/531090596.db2.gz	WKQZPKCQJIKEMW-OCCSQVGLSA-N	1	1	388.559	1.348	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000247142115	531073105	/nfs/dbraw/zinc/07/31/05/531073105.db2.gz	JTGCAXLUXDBLTF-KGLIPLIRSA-N	1	1	385.917	1.704	10	0		GDAEMO
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1COCC[NH2+]1	ZINC000262643857	531126170	/nfs/dbraw/zinc/12/61/70/531126170.db2.gz	MIASBNDRUWZTKF-ZYHUDNBSSA-N	1	1	378.782	1.437	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1	ZINC000155409984	531200267	/nfs/dbraw/zinc/20/02/67/531200267.db2.gz	WNNRYZFFFFSLJB-NSHDSACASA-N	1	1	376.425	1.856	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@H]2C1	ZINC000284356272	531951660	/nfs/dbraw/zinc/95/16/60/531951660.db2.gz	AXJPWRXXEAORBJ-JSGCOSHPSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@H]2C1	ZINC000284356272	531951676	/nfs/dbraw/zinc/95/16/76/531951676.db2.gz	AXJPWRXXEAORBJ-JSGCOSHPSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@H]2C1	ZINC000285279702	532059058	/nfs/dbraw/zinc/05/90/58/532059058.db2.gz	ZWCNZSWDAMMXHI-QWHCGFSZSA-N	1	1	388.873	1.205	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@H]2C1	ZINC000285279702	532059064	/nfs/dbraw/zinc/05/90/64/532059064.db2.gz	ZWCNZSWDAMMXHI-QWHCGFSZSA-N	1	1	388.873	1.205	10	0		GDAEMO
Cc1c([C@H](C)NC(=O)C2CC[NH+](CC(N)=O)CC2)cnn1-c1ccccc1C	ZINC000091325783	208114674	/nfs/dbraw/zinc/11/46/74/208114674.db2.gz	OLYRWTMDUFROLF-HNNXBMFYSA-N	1	1	383.496	1.864	10	0		GDAEMO
COCCN1CC[C@H]([N@@H+]2CCCN(C(=O)Cc3ccccc3F)CC2)C1=O	ZINC000169792413	570697525	/nfs/dbraw/zinc/69/75/25/570697525.db2.gz	JYTYUGAYDLHOHU-SFHVURJKSA-N	1	1	377.460	1.150	10	0		GDAEMO
COCCN1CC[C@H]([N@H+]2CCCN(C(=O)Cc3ccccc3F)CC2)C1=O	ZINC000169792413	570697526	/nfs/dbraw/zinc/69/75/26/570697526.db2.gz	JYTYUGAYDLHOHU-SFHVURJKSA-N	1	1	377.460	1.150	10	0		GDAEMO
Cc1nn(C)c(C)c1C[NH+]1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1	ZINC000152659292	644789462	/nfs/dbraw/zinc/78/94/62/644789462.db2.gz	GZVSEPOPGMVCNZ-UHFFFAOYSA-N	1	1	385.299	1.676	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C	ZINC000177607399	530706471	/nfs/dbraw/zinc/70/64/71/530706471.db2.gz	XDBRTQRRQLBVTD-VHSXEESVSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C	ZINC000177607399	530706474	/nfs/dbraw/zinc/70/64/74/530706474.db2.gz	XDBRTQRRQLBVTD-VHSXEESVSA-N	1	1	375.803	1.470	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC[N@H+](C3CC3)CC2)s1	ZINC000178456575	530721116	/nfs/dbraw/zinc/72/11/16/530721116.db2.gz	BWAALXIXRNVYRK-UHFFFAOYSA-N	1	1	386.543	1.215	10	0		GDAEMO
COc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000177691693	530709589	/nfs/dbraw/zinc/70/95/89/530709589.db2.gz	DYBQKWFDKXWZRX-LBPRGKRZSA-N	1	1	382.258	1.703	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2n[nH]c3ccc(Br)cc32)cn1	ZINC000181323172	530781754	/nfs/dbraw/zinc/78/17/54/530781754.db2.gz	GALOOANDBPDQRL-CQSZACIVSA-N	1	1	389.257	1.846	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)C1	ZINC000107252322	530853387	/nfs/dbraw/zinc/85/33/87/530853387.db2.gz	YZDJQAWKHFIAKL-ZBFHGGJFSA-N	1	1	378.344	1.824	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)cc(Br)c2)CC1	ZINC000189453953	530914073	/nfs/dbraw/zinc/91/40/73/530914073.db2.gz	LLYJQYGOHYZTQA-OAHLLOKOSA-N	1	1	398.301	1.611	10	0		GDAEMO
O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000190877323	530939571	/nfs/dbraw/zinc/93/95/71/530939571.db2.gz	XUBQFZVNLQXMAM-VIFPVBQESA-N	1	1	388.212	1.972	10	0		GDAEMO
COCCN(C)S(=O)(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000192933463	530976682	/nfs/dbraw/zinc/97/66/82/530976682.db2.gz	YHMJKIOULXMXLM-AWEZNQCLSA-N	1	1	376.548	1.028	10	0		GDAEMO
O=C(Cn1cnc2ccc(Br)cc2c1=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195332493	531020759	/nfs/dbraw/zinc/02/07/59/531020759.db2.gz	XYDHXGMRJWFOQV-CYBMUJFWSA-N	1	1	391.269	1.466	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)CSCC(F)(F)F)CC2)C1	ZINC000127014605	531025415	/nfs/dbraw/zinc/02/54/15/531025415.db2.gz	WCWSLRAPAWWRPW-CQSZACIVSA-N	1	1	383.480	1.535	10	0		GDAEMO
CN(CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)S(C)(=O)=O	ZINC000245685048	531059531	/nfs/dbraw/zinc/05/95/31/531059531.db2.gz	KQRJJFPSOIXPER-MLGOLLRUSA-N	1	1	391.896	1.480	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br	ZINC000248724127	531081371	/nfs/dbraw/zinc/08/13/71/531081371.db2.gz	GYLKPEBNEWICEH-MNOVXSKESA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br	ZINC000248724127	531081374	/nfs/dbraw/zinc/08/13/74/531081374.db2.gz	GYLKPEBNEWICEH-MNOVXSKESA-N	1	1	399.289	1.005	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@@H+]1C[C@H](C)O	ZINC000248687236	531081535	/nfs/dbraw/zinc/08/15/35/531081535.db2.gz	AKQYIHUUUARSIT-AAEUAGOBSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cn2)CC[N@H+]1C[C@H](C)O	ZINC000248687236	531081537	/nfs/dbraw/zinc/08/15/37/531081537.db2.gz	AKQYIHUUUARSIT-AAEUAGOBSA-N	1	1	399.289	1.086	10	0		GDAEMO
CS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000249731906	531089080	/nfs/dbraw/zinc/08/90/80/531089080.db2.gz	UICLQUUEKADLLK-MRXNPFEDSA-N	1	1	376.906	1.185	10	0		GDAEMO
Cc1ccc([C@H](CNC(=O)[C@H](C)[NH+]2CCSCC2)N2CCOCC2)s1	ZINC000153324281	531166127	/nfs/dbraw/zinc/16/61/27/531166127.db2.gz	LIOHGYDRYNIFHR-HOTGVXAUSA-N	1	1	383.583	1.983	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@@H]2C1	ZINC000408030564	531213365	/nfs/dbraw/zinc/21/33/65/531213365.db2.gz	ZVFQYUZAJNTRRZ-VXGBXAGGSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@@H]2C1	ZINC000408030564	531213368	/nfs/dbraw/zinc/21/33/68/531213368.db2.gz	ZVFQYUZAJNTRRZ-VXGBXAGGSA-N	1	1	380.388	1.679	10	0		GDAEMO
NS(=O)(=O)c1cc(F)c(N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1	ZINC000408375361	531235570	/nfs/dbraw/zinc/23/55/70/531235570.db2.gz	SRKMNAKFZKCGAR-SECBINFHSA-N	1	1	378.267	1.520	10	0		GDAEMO
NS(=O)(=O)c1cc(F)c(N2CC[N@H+]3CCC[C@@H]3C2)c(Br)c1	ZINC000408375361	531235574	/nfs/dbraw/zinc/23/55/74/531235574.db2.gz	SRKMNAKFZKCGAR-SECBINFHSA-N	1	1	378.267	1.520	10	0		GDAEMO
CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)COC2CCOCC2)n1C	ZINC000328624186	206234846	/nfs/dbraw/zinc/23/48/46/206234846.db2.gz	CFZQHDJPZWKQFK-QAPCUYQASA-N	1	1	379.501	1.468	10	0		GDAEMO
CCN1CCC[C@@H](C[N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)[C@@H]1c1cnn(C)c1	ZINC000328654431	206238338	/nfs/dbraw/zinc/23/83/38/206238338.db2.gz	XKTIJUDSKNAUMY-DOTOQJQBSA-N	1	1	390.532	1.660	10	0		GDAEMO
CC[N@@H+]1CCC[C@@H](CN(C)CCN2C(=O)NC(C)(C)C2=O)[C@@H]1c1cnn(C)c1	ZINC000328654431	206238340	/nfs/dbraw/zinc/23/83/40/206238340.db2.gz	XKTIJUDSKNAUMY-DOTOQJQBSA-N	1	1	390.532	1.660	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)CCN2C(=O)NC(C)(C)C2=O)[C@@H]1c1cnn(C)c1	ZINC000328654431	206238344	/nfs/dbraw/zinc/23/83/44/206238344.db2.gz	XKTIJUDSKNAUMY-DOTOQJQBSA-N	1	1	390.532	1.660	10	0		GDAEMO
COc1ccc(CN(C[C@H]2CCCO2)C(=O)C2CC[NH+](CC(N)=O)CC2)cc1	ZINC000091475831	208119325	/nfs/dbraw/zinc/11/93/25/208119325.db2.gz	RGTSNWSGXKHBCI-LJQANCHMSA-N	1	1	389.496	1.400	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cn2)CC1	ZINC000034682294	570300369	/nfs/dbraw/zinc/30/03/69/570300369.db2.gz	GEJADFBAIQYHBT-OAHLLOKOSA-N	1	1	398.463	1.956	10	0		GDAEMO
O=C(NCCc1ccccc1)N1CCC[N@@H+]([C@H]2CCN(CC3CC3)C2=O)CC1	ZINC000097078048	570664424	/nfs/dbraw/zinc/66/44/24/570664424.db2.gz	IPHCCUOWRAAHAX-FQEVSTJZSA-N	1	1	384.524	1.957	10	0		GDAEMO
O=C(NCCc1ccccc1)N1CCC[N@H+]([C@H]2CCN(CC3CC3)C2=O)CC1	ZINC000097078048	570664428	/nfs/dbraw/zinc/66/44/28/570664428.db2.gz	IPHCCUOWRAAHAX-FQEVSTJZSA-N	1	1	384.524	1.957	10	0		GDAEMO
COCC[N@H+]1CC[C@H](CN(C)c2nc3nonc3nc2N2CCCCC2)C1	ZINC000012584733	570685023	/nfs/dbraw/zinc/68/50/23/570685023.db2.gz	KYOFTDVKKHYNSL-CQSZACIVSA-N	1	1	375.477	1.408	10	0		GDAEMO
Cn1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(I)n1	ZINC000893870277	658471144	/nfs/dbraw/zinc/47/11/44/658471144.db2.gz	XPSQFOAMLSROSG-LLVKDONJSA-N	1	1	386.241	1.528	10	0		GDAEMO
Cn1cc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(I)n1	ZINC000893870277	658471152	/nfs/dbraw/zinc/47/11/52/658471152.db2.gz	XPSQFOAMLSROSG-LLVKDONJSA-N	1	1	386.241	1.528	10	0		GDAEMO
O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cc(COc2cncc(Cl)c2)on1	ZINC000015064591	210144891	/nfs/dbraw/zinc/14/48/91/210144891.db2.gz	PJQDDUICPYHJMH-AWEZNQCLSA-N	1	1	394.859	1.879	10	0		GDAEMO
O=C(NCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1	ZINC000171906103	530604941	/nfs/dbraw/zinc/60/49/41/530604941.db2.gz	GWISHKVFWMLVHQ-OAHLLOKOSA-N	1	1	395.301	1.669	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1	ZINC000181872701	530791952	/nfs/dbraw/zinc/79/19/52/530791952.db2.gz	MNPQRLGOEQOHGZ-LLVKDONJSA-N	1	1	380.436	1.803	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1	ZINC000189453774	530913730	/nfs/dbraw/zinc/91/37/30/530913730.db2.gz	YELBAWIIYZPQIW-CYBMUJFWSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2I)C1	ZINC000227203670	531032263	/nfs/dbraw/zinc/03/22/63/531032263.db2.gz	BLEDPWAYQQHHFF-NSHDSACASA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc(F)cc2I)C1	ZINC000227203670	531032267	/nfs/dbraw/zinc/03/22/67/531032267.db2.gz	BLEDPWAYQQHHFF-NSHDSACASA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000194162502	531000581	/nfs/dbraw/zinc/00/05/81/531000581.db2.gz	STNPOHKAGHLORN-CHWSQXEVSA-N	1	1	381.274	1.868	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)s1	ZINC000246353869	531066697	/nfs/dbraw/zinc/06/66/97/531066697.db2.gz	MRTTZNJXKYGSIU-TZMCWYRMSA-N	1	1	386.543	1.213	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)[C@@H](C)C1	ZINC000253355865	531091990	/nfs/dbraw/zinc/09/19/90/531091990.db2.gz	VXAGFUAVNZOMAE-OFQRWUPVSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)[C@@H](C)C1	ZINC000253355863	531092102	/nfs/dbraw/zinc/09/21/02/531092102.db2.gz	VXAGFUAVNZOMAE-DZKIICNBSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000246917685	531070546	/nfs/dbraw/zinc/07/05/46/531070546.db2.gz	AKDYLARHXXRUIZ-YCPHGPKFSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C	ZINC000247147220	531072950	/nfs/dbraw/zinc/07/29/50/531072950.db2.gz	UAVIYGWLAXRPOA-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C	ZINC000247147220	531072953	/nfs/dbraw/zinc/07/29/53/531072953.db2.gz	UAVIYGWLAXRPOA-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000151311582	531136396	/nfs/dbraw/zinc/13/63/96/531136396.db2.gz	OWCUKRYHYWKHJU-DGCLKSJQSA-N	1	1	394.273	1.991	10	0		GDAEMO
Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH+]2CCSCC2)N2CCOCC2)s1	ZINC000153323977	531165694	/nfs/dbraw/zinc/16/56/94/531165694.db2.gz	LIOHGYDRYNIFHR-HZPDHXFCSA-N	1	1	383.583	1.983	10	0		GDAEMO
Cc1cc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)sc1Br	ZINC000404110833	532306020	/nfs/dbraw/zinc/30/60/20/532306020.db2.gz	JPRSWWOZBYXPOV-NXEZZACHSA-N	1	1	381.317	1.570	10	0		GDAEMO
CNc1nc(N2CC[N@@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)ncc1F	ZINC000095372595	136178515	/nfs/dbraw/zinc/17/85/15/136178515.db2.gz	IDCCAXURPBGNTK-IBGZPJMESA-N	1	1	376.480	1.571	10	0		GDAEMO
COCCN(C)c1cnn([C@H]2CCC[N@@H+](CCc3csc(C)n3)C2)c(=O)c1	ZINC000583615148	570799953	/nfs/dbraw/zinc/79/99/53/570799953.db2.gz	LVDDKQBNRUHXNO-KRWDZBQOSA-N	1	1	391.541	1.970	10	0		GDAEMO
COCCN(C)c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)c3ccccc3)C2)c(=O)c1	ZINC000583619587	570800383	/nfs/dbraw/zinc/80/03/83/570800383.db2.gz	YOLUBIKLQHUYEA-AZUAARDMSA-N	1	1	386.496	1.696	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cn1nc(Br)nc1Br	ZINC000175237166	644904144	/nfs/dbraw/zinc/90/41/44/644904144.db2.gz	MXIRLOCLANRLTP-DTWKUNHWSA-N	1	1	379.100	1.929	10	0		GDAEMO
O=C(NCCO)c1cn(C2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)nn1	ZINC000014989991	210141172	/nfs/dbraw/zinc/14/11/72/210141172.db2.gz	AUGJRJFJMCPZLN-VBKFSLOCSA-N	1	1	389.887	1.917	10	0		GDAEMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1	ZINC000177227696	530699700	/nfs/dbraw/zinc/69/97/00/530699700.db2.gz	LHZRWJJHKLFGPU-OCCSQVGLSA-N	1	1	383.290	1.435	10	0		GDAEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1	ZINC000177227696	530699702	/nfs/dbraw/zinc/69/97/02/530699702.db2.gz	LHZRWJJHKLFGPU-OCCSQVGLSA-N	1	1	383.290	1.435	10	0		GDAEMO
CCn1c(N)c(C(=O)C[NH2+][C@@H](C)c2cccc(Br)c2)c(=O)[nH]c1=O	ZINC000182572641	530801547	/nfs/dbraw/zinc/80/15/47/530801547.db2.gz	MKTFJWJJPBYIMX-VIFPVBQESA-N	1	1	395.257	1.435	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C	ZINC000117290236	530911895	/nfs/dbraw/zinc/91/18/95/530911895.db2.gz	XZJHTRMIQAFHNZ-GFCCVEGCSA-N	1	1	388.295	1.902	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1C	ZINC000117290236	530911901	/nfs/dbraw/zinc/91/19/01/530911901.db2.gz	XZJHTRMIQAFHNZ-GFCCVEGCSA-N	1	1	388.295	1.902	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cnc1Br	ZINC000190110621	530925372	/nfs/dbraw/zinc/92/53/72/530925372.db2.gz	MGINJTWSFOXDHM-AAEUAGOBSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190101355	530925501	/nfs/dbraw/zinc/92/55/01/530925501.db2.gz	DZBXGCFBDAGOSD-JQWIXIFHSA-N	1	1	381.274	1.786	10	0		GDAEMO
O=C(CNC(=O)c1ccc(Br)s1)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000195318267	531020739	/nfs/dbraw/zinc/02/07/39/531020739.db2.gz	FXEFOWIDZYROAX-NSHDSACASA-N	1	1	386.315	1.937	10	0		GDAEMO
O=C(CNC(=O)c1cccc(Br)c1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000195319117	531020783	/nfs/dbraw/zinc/02/07/83/531020783.db2.gz	FDADLLSREFRHRL-OAHLLOKOSA-N	1	1	380.286	1.876	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)s1	ZINC000246232733	531065424	/nfs/dbraw/zinc/06/54/24/531065424.db2.gz	RRAROWLDAJAHEJ-OCCSQVGLSA-N	1	1	388.559	1.363	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000246356917	531066956	/nfs/dbraw/zinc/06/69/56/531066956.db2.gz	MZUGDYNMWYUMRC-KGLIPLIRSA-N	1	1	386.543	1.247	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1Br	ZINC000248736090	531081783	/nfs/dbraw/zinc/08/17/83/531081783.db2.gz	NFKGMAHKNNHVJO-MFKMUULPSA-N	1	1	383.290	1.936	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248736227	531082188	/nfs/dbraw/zinc/08/21/88/531082188.db2.gz	KWEUGZABNLLJNG-MKBNYLNASA-N	1	1	383.286	1.666	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248736227	531082191	/nfs/dbraw/zinc/08/21/91/531082191.db2.gz	KWEUGZABNLLJNG-MKBNYLNASA-N	1	1	383.286	1.666	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)cc1Cl	ZINC000284894552	532003198	/nfs/dbraw/zinc/00/31/98/532003198.db2.gz	FWDKHUHQIZOPBE-HOTGVXAUSA-N	1	1	387.889	1.392	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)cc1Cl	ZINC000284894552	532003207	/nfs/dbraw/zinc/00/32/07/532003207.db2.gz	FWDKHUHQIZOPBE-HOTGVXAUSA-N	1	1	387.889	1.392	10	0		GDAEMO
Cc1c([C@@H](C)NC(=O)C2CC[NH+](CC(N)=O)CC2)cnn1-c1ccccc1C	ZINC000091325781	211190852	/nfs/dbraw/zinc/19/08/52/211190852.db2.gz	OLYRWTMDUFROLF-OAHLLOKOSA-N	1	1	383.496	1.864	10	0		GDAEMO
COCCn1cc(C(=O)N2CC[NH+](C)CC2)c2c3ccccc3n(C)c2c1=O	ZINC000020138795	210318313	/nfs/dbraw/zinc/31/83/13/210318313.db2.gz	VWXCEHHIUPRJME-UHFFFAOYSA-N	1	1	382.464	1.527	10	0		GDAEMO
CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC	ZINC000036207269	570569113	/nfs/dbraw/zinc/56/91/13/570569113.db2.gz	MIQMWXNGCQBVDV-GFCCVEGCSA-N	1	1	397.497	1.689	10	0		GDAEMO
CCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC	ZINC000036207269	570569116	/nfs/dbraw/zinc/56/91/16/570569116.db2.gz	MIQMWXNGCQBVDV-GFCCVEGCSA-N	1	1	397.497	1.689	10	0		GDAEMO
COCCN(C)c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)c3ccccc3)C2)c(=O)c1	ZINC000583619589	570800356	/nfs/dbraw/zinc/80/03/56/570800356.db2.gz	YOLUBIKLQHUYEA-QUCCMNQESA-N	1	1	386.496	1.696	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000175944861	644908630	/nfs/dbraw/zinc/90/86/30/644908630.db2.gz	HEHXJFDCGYPHDA-GFCCVEGCSA-N	1	1	386.440	1.084	10	0		GDAEMO
CC(C)[N@H+](CCS(C)(=O)=O)C[C@H](O)COc1cccc(Br)c1	ZINC000178999702	644930337	/nfs/dbraw/zinc/93/03/37/644930337.db2.gz	WWFGJOWINOCILD-AWEZNQCLSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)COc1cccc(Br)c1	ZINC000178999702	644930341	/nfs/dbraw/zinc/93/03/41/644930341.db2.gz	WWFGJOWINOCILD-AWEZNQCLSA-N	1	1	394.331	1.944	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc(F)c1F	ZINC000246228892	645094378	/nfs/dbraw/zinc/09/43/78/645094378.db2.gz	MKKSOHWCCHYDEU-QMTHXVAHSA-N	1	1	376.425	1.758	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCOC[C@@H]1C	ZINC000301437186	645235254	/nfs/dbraw/zinc/23/52/54/645235254.db2.gz	MYGOXAJKRWOHMU-QWRGUYRKSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@H+]1CCOC[C@@H]1C	ZINC000301437186	645235260	/nfs/dbraw/zinc/23/52/60/645235260.db2.gz	MYGOXAJKRWOHMU-QWRGUYRKSA-N	1	1	381.420	1.874	10	0		GDAEMO
CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](Cc1nccs1)CC2	ZINC000014743099	210125247	/nfs/dbraw/zinc/12/52/47/210125247.db2.gz	SKTZOQGLIRTIBV-UHFFFAOYSA-N	1	1	393.513	1.273	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(Br)n1	ZINC000179868388	530751946	/nfs/dbraw/zinc/75/19/46/530751946.db2.gz	ATKAOCFIWHHEHP-GWCFXTLKSA-N	1	1	383.290	1.936	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Br)cc2)CC1	ZINC000106403667	530848078	/nfs/dbraw/zinc/84/80/78/530848078.db2.gz	SURNEEXBPKIVES-HNNXBMFYSA-N	1	1	398.301	1.094	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000113225401	530887734	/nfs/dbraw/zinc/88/77/34/530887734.db2.gz	LZPQCKIPBCHSJL-GXTWGEPZSA-N	1	1	385.917	1.899	10	0		GDAEMO
Cc1nc(SCC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)n[nH]1	ZINC000190556677	530932797	/nfs/dbraw/zinc/93/27/97/530932797.db2.gz	OTLCZFPFFXPFQK-ZDUSSCGKSA-N	1	1	380.543	1.951	10	0		GDAEMO
Cc1nnc(SCC(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)[nH]1	ZINC000190556677	530932801	/nfs/dbraw/zinc/93/28/01/530932801.db2.gz	OTLCZFPFFXPFQK-ZDUSSCGKSA-N	1	1	380.543	1.951	10	0		GDAEMO
Cc1nnc(SCC(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)[nH]1	ZINC000190556677	530932804	/nfs/dbraw/zinc/93/28/04/530932804.db2.gz	OTLCZFPFFXPFQK-ZDUSSCGKSA-N	1	1	380.543	1.951	10	0		GDAEMO
CCC[C@@H](C)CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372928	530912634	/nfs/dbraw/zinc/91/26/34/530912634.db2.gz	PHGGBVTYBNJKFI-MSOLQXFVSA-N	1	1	375.579	1.479	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1	ZINC000189470075	530913948	/nfs/dbraw/zinc/91/39/48/530913948.db2.gz	IKZHBZRFMOMITR-AWEZNQCLSA-N	1	1	398.301	1.611	10	0		GDAEMO
C[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)C1CCN(S(C)(=O)=O)CC1	ZINC000121664941	530960498	/nfs/dbraw/zinc/96/04/98/530960498.db2.gz	XEBXEPMCCBAPRI-KRWDZBQOSA-N	1	1	390.933	1.573	10	0		GDAEMO
O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1	ZINC000195320150	531020748	/nfs/dbraw/zinc/02/07/48/531020748.db2.gz	NPDAKJIQZQMBKU-AWEZNQCLSA-N	1	1	385.917	1.705	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(=O)(=O)c1cccs1	ZINC000246117279	531063794	/nfs/dbraw/zinc/06/37/94/531063794.db2.gz	ONLHUHASKVBGSH-KGLIPLIRSA-N	1	1	386.543	1.295	10	0		GDAEMO
COCCN(C)S(=O)(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245756648	531060752	/nfs/dbraw/zinc/06/07/52/531060752.db2.gz	YMFMQWKDKYPOOQ-XJKSGUPXSA-N	1	1	393.912	1.885	10	0		GDAEMO
COCCN(C)S(=O)(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000245756648	531060757	/nfs/dbraw/zinc/06/07/57/531060757.db2.gz	YMFMQWKDKYPOOQ-XJKSGUPXSA-N	1	1	393.912	1.885	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000247404439	531074364	/nfs/dbraw/zinc/07/43/64/531074364.db2.gz	PPHPMJHCGCOYTF-KBPBESRZSA-N	1	1	383.539	1.841	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000247495347	531075193	/nfs/dbraw/zinc/07/51/93/531075193.db2.gz	XELIVKFBXKTQLE-WDEREUQCSA-N	1	1	379.935	1.525	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000247709493	531076049	/nfs/dbraw/zinc/07/60/49/531076049.db2.gz	ZVIAEXJZTIADDJ-CVEARBPZSA-N	1	1	385.302	1.595	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000249116478	531084992	/nfs/dbraw/zinc/08/49/92/531084992.db2.gz	BHGJHRYPPULNPW-KGLIPLIRSA-N	1	1	381.274	1.868	10	0		GDAEMO
C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249546739	531087668	/nfs/dbraw/zinc/08/76/68/531087668.db2.gz	GKQKZIAALLKPOT-USWWRNFRSA-N	1	1	379.404	1.532	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2I)C[C@@H]1C	ZINC000246701677	531069855	/nfs/dbraw/zinc/06/98/55/531069855.db2.gz	KCLYYEUMOOCPKL-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2I)C[C@@H]1C	ZINC000246701677	531069857	/nfs/dbraw/zinc/06/98/57/531069857.db2.gz	KCLYYEUMOOCPKL-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000154375635	531182845	/nfs/dbraw/zinc/18/28/45/531182845.db2.gz	KWPHKFKLWYFLPS-RISCZKNCSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000154375635	531182846	/nfs/dbraw/zinc/18/28/46/531182846.db2.gz	KWPHKFKLWYFLPS-RISCZKNCSA-N	1	1	399.289	1.086	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(Cc3nnc(-c4ccc(Br)o4)o3)[C@@H]2C1	ZINC000408037274	531213110	/nfs/dbraw/zinc/21/31/10/531213110.db2.gz	BBOUQNQKUAIZST-MNOVXSKESA-N	1	1	383.246	1.997	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@@H]2C1	ZINC000408030558	531213465	/nfs/dbraw/zinc/21/34/65/531213465.db2.gz	ZVFQYUZAJNTRRZ-NEPJUHHUSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@@H]2C1	ZINC000408030558	531213473	/nfs/dbraw/zinc/21/34/73/531213473.db2.gz	ZVFQYUZAJNTRRZ-NEPJUHHUSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000408111830	531219351	/nfs/dbraw/zinc/21/93/51/531219351.db2.gz	GCBUQZXXPYCPPS-AWEZNQCLSA-N	1	1	385.555	1.628	10	0		GDAEMO
C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000408111830	531219356	/nfs/dbraw/zinc/21/93/56/531219356.db2.gz	GCBUQZXXPYCPPS-AWEZNQCLSA-N	1	1	385.555	1.628	10	0		GDAEMO
C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000408112200	531220196	/nfs/dbraw/zinc/22/01/96/531220196.db2.gz	JFCFFZYJAJLPTQ-SNVBAGLBSA-N	1	1	380.242	1.208	10	0		GDAEMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2ccc(Br)cc2C1=O	ZINC000408112200	531220204	/nfs/dbraw/zinc/22/02/04/531220204.db2.gz	JFCFFZYJAJLPTQ-SNVBAGLBSA-N	1	1	380.242	1.208	10	0		GDAEMO
NS(=O)(=O)c1cc(Br)cnc1N1CC[N@@H+]2CCCC[C@H]2C1	ZINC000408157892	531223398	/nfs/dbraw/zinc/22/33/98/531223398.db2.gz	LEEGDBORYNPRIJ-NSHDSACASA-N	1	1	375.292	1.166	10	0		GDAEMO
NS(=O)(=O)c1cc(Br)cnc1N1CC[N@H+]2CCCC[C@H]2C1	ZINC000408157892	531223402	/nfs/dbraw/zinc/22/34/02/531223402.db2.gz	LEEGDBORYNPRIJ-NSHDSACASA-N	1	1	375.292	1.166	10	0		GDAEMO
O=S1(=O)CCC(O)(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC1	ZINC000408441106	531241180	/nfs/dbraw/zinc/24/11/80/531241180.db2.gz	CEEHBHDWUJPQNK-NSHDSACASA-N	1	1	381.420	1.548	10	0		GDAEMO
CN1C(=O)COc2ccc(NC(=O)NCCC[N@H+]3CCCC[C@H]3CO)cc21	ZINC000299756931	212031663	/nfs/dbraw/zinc/03/16/63/212031663.db2.gz	KDTAYHFTYPXQSX-HNNXBMFYSA-N	1	1	376.457	1.400	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)CN2CC(=O)NC2=O)[C@@H]1c1cnn(C)c1	ZINC000328616850	209147302	/nfs/dbraw/zinc/14/73/02/209147302.db2.gz	CDLIAZNMGBACNI-SUMWQHHRSA-N	1	1	376.461	1.044	10	0		GDAEMO
CC[C@H]1CN(Cn2nc(NCCOC)sc2=S)CC[N@H+]1CCOC	ZINC000117325420	644650612	/nfs/dbraw/zinc/65/06/12/644650612.db2.gz	STKMBBFHQRCESD-ZDUSSCGKSA-N	1	1	375.564	1.732	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C	ZINC000246935218	645096925	/nfs/dbraw/zinc/09/69/25/645096925.db2.gz	RMDFIGWCAYYELQ-STQMWFEESA-N	1	1	399.285	1.554	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C	ZINC000246935218	645096931	/nfs/dbraw/zinc/09/69/31/645096931.db2.gz	RMDFIGWCAYYELQ-STQMWFEESA-N	1	1	399.285	1.554	10	0		GDAEMO
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F	ZINC000247412505	645098535	/nfs/dbraw/zinc/09/85/35/645098535.db2.gz	ZJQYCQSIPFYNFP-CMPLNLGQSA-N	1	1	376.425	1.758	10	0		GDAEMO
O=C(C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCc1cccs1	ZINC000015066914	210148166	/nfs/dbraw/zinc/14/81/66/210148166.db2.gz	LHADLVSPHYXNFC-IBGZPJMESA-N	1	1	383.517	1.765	10	0		GDAEMO
O=C(C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCc1cccs1	ZINC000015066914	210148171	/nfs/dbraw/zinc/14/81/71/210148171.db2.gz	LHADLVSPHYXNFC-IBGZPJMESA-N	1	1	383.517	1.765	10	0		GDAEMO
CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)C1	ZINC000174743887	530653697	/nfs/dbraw/zinc/65/36/97/530653697.db2.gz	IDSZINDKRUCYKF-LSDHHAIUSA-N	1	1	399.285	1.890	10	0		GDAEMO
CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)C1	ZINC000174743887	530653699	/nfs/dbraw/zinc/65/36/99/530653699.db2.gz	IDSZINDKRUCYKF-LSDHHAIUSA-N	1	1	399.285	1.890	10	0		GDAEMO
C[NH+]1CCN([C@@H]2CCCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1	ZINC000175985347	530674957	/nfs/dbraw/zinc/67/49/57/530674957.db2.gz	XZWVOYRNKQEMES-CQSZACIVSA-N	1	1	397.317	1.380	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Br)n1	ZINC000179840992	530751470	/nfs/dbraw/zinc/75/14/70/530751470.db2.gz	IOAJYEOKLNZNOW-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Br)n1	ZINC000179840992	530751475	/nfs/dbraw/zinc/75/14/75/530751475.db2.gz	IOAJYEOKLNZNOW-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
COc1ccc(Br)c(CC(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)c1	ZINC000181440887	530783628	/nfs/dbraw/zinc/78/36/28/530783628.db2.gz	ZLGZIUZIDDWHGD-MRXNPFEDSA-N	1	1	393.285	1.907	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000106108755	530846478	/nfs/dbraw/zinc/84/64/78/530846478.db2.gz	BURHWTYRIWYJAJ-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000106108755	530846479	/nfs/dbraw/zinc/84/64/79/530846479.db2.gz	BURHWTYRIWYJAJ-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000106108755	530846481	/nfs/dbraw/zinc/84/64/81/530846481.db2.gz	BURHWTYRIWYJAJ-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
Cc1nc(SCC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)n[nH]1	ZINC000190556698	530932672	/nfs/dbraw/zinc/93/26/72/530932672.db2.gz	OTLCZFPFFXPFQK-CYBMUJFWSA-N	1	1	380.543	1.951	10	0		GDAEMO
Cc1nnc(SCC(=O)N2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)[nH]1	ZINC000190556698	530932675	/nfs/dbraw/zinc/93/26/75/530932675.db2.gz	OTLCZFPFFXPFQK-CYBMUJFWSA-N	1	1	380.543	1.951	10	0		GDAEMO
Cc1nnc(SCC(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)[nH]1	ZINC000190556698	530932679	/nfs/dbraw/zinc/93/26/79/530932679.db2.gz	OTLCZFPFFXPFQK-CYBMUJFWSA-N	1	1	380.543	1.951	10	0		GDAEMO
O=S(=O)([C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)N1CCCC1	ZINC000189575400	530916807	/nfs/dbraw/zinc/91/68/07/530916807.db2.gz	LKCPWWHCVQZFFF-LLVKDONJSA-N	1	1	380.379	1.701	10	0		GDAEMO
O=S(=O)([C@@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1)N1CCCC1	ZINC000189575400	530916811	/nfs/dbraw/zinc/91/68/11/530916811.db2.gz	LKCPWWHCVQZFFF-LLVKDONJSA-N	1	1	380.379	1.701	10	0		GDAEMO
O=C1[C@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000192073717	530960414	/nfs/dbraw/zinc/96/04/14/530960414.db2.gz	AQDUQUKFKKFOKE-DLBZAZTESA-N	1	1	394.313	1.961	10	0		GDAEMO
O=C1[C@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000192073717	530960417	/nfs/dbraw/zinc/96/04/17/530960417.db2.gz	AQDUQUKFKKFOKE-DLBZAZTESA-N	1	1	394.313	1.961	10	0		GDAEMO
CC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000192789266	530973267	/nfs/dbraw/zinc/97/32/67/530973267.db2.gz	GRBDXDIGLRCJBK-KGLIPLIRSA-N	1	1	392.315	1.698	10	0		GDAEMO
CC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1	ZINC000192789266	530973271	/nfs/dbraw/zinc/97/32/71/530973271.db2.gz	GRBDXDIGLRCJBK-KGLIPLIRSA-N	1	1	392.315	1.698	10	0		GDAEMO
COCCCCS(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000192934744	530976382	/nfs/dbraw/zinc/97/63/82/530976382.db2.gz	WTHUIIPYIUPNSH-OAHLLOKOSA-N	1	1	375.560	1.962	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCN(C)S(=O)(=O)c2cccs2)C1	ZINC000246226891	531065327	/nfs/dbraw/zinc/06/53/27/531065327.db2.gz	QPLIDJPPLFJBJY-ZIAGYGMSSA-N	1	1	388.559	1.397	10	0		GDAEMO
O=C1[C@H]([N@@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000248846345	531082667	/nfs/dbraw/zinc/08/26/67/531082667.db2.gz	AQDUQUKFKKFOKE-IAGOWNOFSA-N	1	1	394.313	1.961	10	0		GDAEMO
O=C1[C@H]([N@H+]2CC[C@@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000248846345	531082668	/nfs/dbraw/zinc/08/26/68/531082668.db2.gz	AQDUQUKFKKFOKE-IAGOWNOFSA-N	1	1	394.313	1.961	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000249135445	531084661	/nfs/dbraw/zinc/08/46/61/531084661.db2.gz	NWZFRIYYFXQJOV-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1	ZINC000249135445	531084665	/nfs/dbraw/zinc/08/46/65/531084665.db2.gz	NWZFRIYYFXQJOV-STQMWFEESA-N	1	1	398.301	1.610	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1Br	ZINC000249161721	531084692	/nfs/dbraw/zinc/08/46/92/531084692.db2.gz	JIWVRBKPGQUJMM-RYUDHWBXSA-N	1	1	381.274	1.868	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000247142102	531073145	/nfs/dbraw/zinc/07/31/45/531073145.db2.gz	JTGCAXLUXDBLTF-KBPBESRZSA-N	1	1	385.917	1.704	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)C1	ZINC000154190306	531179117	/nfs/dbraw/zinc/17/91/17/531179117.db2.gz	FSLDLSCMLDROON-RNCFNFMXSA-N	1	1	377.869	1.585	10	0		GDAEMO
C[N@H+]1CCO[C@@H]2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)C[C@H]21	ZINC000408028754	531211716	/nfs/dbraw/zinc/21/17/16/531211716.db2.gz	VAFZJMHUVXDGLK-CHWSQXEVSA-N	1	1	379.404	1.262	10	0		GDAEMO
CC[C@H]1CC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000330284969	532118943	/nfs/dbraw/zinc/11/89/43/532118943.db2.gz	YELXKXADTUXORX-LBPRGKRZSA-N	1	1	391.946	1.719	10	0		GDAEMO
CS(=O)(=O)Nc1ccc([C@H](O)CN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000013888718	209234639	/nfs/dbraw/zinc/23/46/39/209234639.db2.gz	MXVFGNOLZDAKQJ-GOSISDBHSA-N	1	1	376.482	1.309	10	0		GDAEMO
O=S(=O)(NC[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)nc1	ZINC000328636668	209150324	/nfs/dbraw/zinc/15/03/24/209150324.db2.gz	VQLPKQZYVZFTCP-LLVKDONJSA-N	1	1	390.387	1.760	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)C(=O)N[C@H]2CCN(C)C2=O)[C@@H]1c1cnn(C)c1	ZINC000583623151	570801615	/nfs/dbraw/zinc/80/16/15/570801615.db2.gz	VEFQFHHQQZGNKC-BHYGNILZSA-N	1	1	376.505	1.065	10	0		GDAEMO
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F	ZINC000177723603	644920879	/nfs/dbraw/zinc/92/08/79/644920879.db2.gz	ZJQYCQSIPFYNFP-JQWIXIFHSA-N	1	1	376.425	1.758	10	0		GDAEMO
CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000253203129	645104936	/nfs/dbraw/zinc/10/49/36/645104936.db2.gz	FHHLELXTOQPYSY-HUUCEWRRSA-N	1	1	382.555	1.653	10	0		GDAEMO
C[NH+]1CCN(C(=O)[C@@H]2CN(Cc3nnsc3Cl)C[C@H]2C(F)(F)F)CC1	ZINC000888103090	657863804	/nfs/dbraw/zinc/86/38/04/657863804.db2.gz	GAMBYALUYFAMHU-NXEZZACHSA-N	1	1	397.854	1.576	10	0		GDAEMO
CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1	ZINC000170894100	530591097	/nfs/dbraw/zinc/59/10/97/530591097.db2.gz	VPSWOWSPOFLOOS-LLVKDONJSA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000170894100	530591099	/nfs/dbraw/zinc/59/10/99/530591099.db2.gz	VPSWOWSPOFLOOS-LLVKDONJSA-N	1	1	387.299	1.773	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[NH+]1CCN(c2cnccn2)CC1	ZINC000043507457	530635338	/nfs/dbraw/zinc/63/53/38/530635338.db2.gz	FVFNZDXSSGSUNR-OAHLLOKOSA-N	1	1	393.285	1.801	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(I)c2)CC1	ZINC000106395572	530847969	/nfs/dbraw/zinc/84/79/69/530847969.db2.gz	AIKXNCGEDVLGQU-AWEZNQCLSA-N	1	1	388.249	1.820	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000192167826	530963606	/nfs/dbraw/zinc/96/36/06/530963606.db2.gz	PQKKZMNURUTMGG-AWEZNQCLSA-N	1	1	393.285	1.332	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000122099248	530966490	/nfs/dbraw/zinc/96/64/90/530966490.db2.gz	VOPFMRCMPDVLNH-NSHDSACASA-N	1	1	389.237	1.479	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@@H]1C	ZINC000122099248	530966493	/nfs/dbraw/zinc/96/64/93/530966493.db2.gz	VOPFMRCMPDVLNH-NSHDSACASA-N	1	1	389.237	1.479	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O	ZINC000125462352	531006323	/nfs/dbraw/zinc/00/63/23/531006323.db2.gz	AHNNNIHCHRWSLA-GFCCVEGCSA-N	1	1	399.289	1.029	10	0		GDAEMO
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195318633	531020805	/nfs/dbraw/zinc/02/08/05/531020805.db2.gz	NICFZAITHPDWAD-GFCCVEGCSA-N	1	1	392.253	1.352	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ncc1Br	ZINC000194146434	530999966	/nfs/dbraw/zinc/99/99/66/530999966.db2.gz	ZTQSMDXTUYUZBG-NWDGAFQWSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br	ZINC000247208590	531072707	/nfs/dbraw/zinc/07/27/07/531072707.db2.gz	XRRBOKBFMDODJX-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1Br	ZINC000247208590	531072711	/nfs/dbraw/zinc/07/27/11/531072711.db2.gz	XRRBOKBFMDODJX-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC(C)[N@@H+]1C[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)[C@@H](C)C1	ZINC000155539225	531201173	/nfs/dbraw/zinc/20/11/73/531201173.db2.gz	SLFKBTBUPMVAQO-ZFWWWQNUSA-N	1	1	387.933	1.853	10	0		GDAEMO
C[C@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1[NH+]1CCOCC1	ZINC000156087744	531203974	/nfs/dbraw/zinc/20/39/74/531203974.db2.gz	LNEHOBWBEAXYHC-SMDDNHRTSA-N	1	1	399.289	1.332	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)C[N@@H+]1C1CCOCC1	ZINC000096148703	211309410	/nfs/dbraw/zinc/30/94/10/211309410.db2.gz	LSRAWAZQCLKRDU-HOCLYGCPSA-N	1	1	379.526	1.968	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)C[N@H+]1C1CCOCC1	ZINC000096148703	211309414	/nfs/dbraw/zinc/30/94/14/211309414.db2.gz	LSRAWAZQCLKRDU-HOCLYGCPSA-N	1	1	379.526	1.968	10	0		GDAEMO
Cc1ccc(CNC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)o1	ZINC000065226897	136160393	/nfs/dbraw/zinc/16/03/93/136160393.db2.gz	URUQMDAPZZLFGG-UHFFFAOYSA-N	1	1	398.511	1.663	10	0		GDAEMO
CC(=O)Oc1c(C)cc(OCCCC(=O)N2CC[NH+](CCO)CC2)c(C)c1C	ZINC000048533642	570250924	/nfs/dbraw/zinc/25/09/24/570250924.db2.gz	WSLQZTNUSYIEHX-UHFFFAOYSA-N	1	1	392.496	1.833	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)CC1	ZINC000189452932	530913785	/nfs/dbraw/zinc/91/37/85/530913785.db2.gz	VMPVZVGFXQWMTR-CQSZACIVSA-N	1	1	398.301	1.611	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(S(=O)(=O)CCOC(C)C)C1	ZINC000192932753	530976529	/nfs/dbraw/zinc/97/65/29/530976529.db2.gz	DTJXUQIJNHLWPS-OAHLLOKOSA-N	1	1	375.560	1.960	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@H]1N1CCOCC1	ZINC000246458633	531067363	/nfs/dbraw/zinc/06/73/63/531067363.db2.gz	NHXYSDGTPUYIIT-UWWQBHOKSA-N	1	1	399.329	1.841	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000245572797	531058566	/nfs/dbraw/zinc/05/85/66/531058566.db2.gz	CNFXJOJRTRFKDT-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)c(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000245572797	531058569	/nfs/dbraw/zinc/05/85/69/531058569.db2.gz	CNFXJOJRTRFKDT-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O	ZINC000246668706	531068678	/nfs/dbraw/zinc/06/86/78/531068678.db2.gz	GFFHUJOBIAZMMM-OCCSQVGLSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@H](C)CS(C)(=O)=O	ZINC000246668706	531068681	/nfs/dbraw/zinc/06/86/81/531068681.db2.gz	GFFHUJOBIAZMMM-OCCSQVGLSA-N	1	1	394.331	1.944	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c(Br)c1	ZINC000247241602	531073679	/nfs/dbraw/zinc/07/36/79/531073679.db2.gz	ZZIHMDWFORVOLU-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c(Br)c1	ZINC000247241602	531073683	/nfs/dbraw/zinc/07/36/83/531073683.db2.gz	ZZIHMDWFORVOLU-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000247606259	531076376	/nfs/dbraw/zinc/07/63/76/531076376.db2.gz	LSXCZJNKEOFWNL-WBVHZDCISA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000247606259	531076377	/nfs/dbraw/zinc/07/63/77/531076377.db2.gz	LSXCZJNKEOFWNL-WBVHZDCISA-N	1	1	396.285	1.786	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ncc1Br	ZINC000248749887	531082161	/nfs/dbraw/zinc/08/21/61/531082161.db2.gz	UCRGSLWGSDNWEW-DGCLKSJQSA-N	1	1	383.290	1.936	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cnc1Br	ZINC000249176709	531084915	/nfs/dbraw/zinc/08/49/15/531084915.db2.gz	MGINJTWSFOXDHM-DGCLKSJQSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1	ZINC000155409860	531200239	/nfs/dbraw/zinc/20/02/39/531200239.db2.gz	WNNRYZFFFFSLJB-LLVKDONJSA-N	1	1	376.425	1.856	10	0		GDAEMO
CC[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000156992958	531205866	/nfs/dbraw/zinc/20/58/66/531205866.db2.gz	IOWYMMOOWAUDDE-WQVCFCJDSA-N	1	1	384.318	1.753	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@H]2C1	ZINC000408030562	531213022	/nfs/dbraw/zinc/21/30/22/531213022.db2.gz	ZVFQYUZAJNTRRZ-RYUDHWBXSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@H]2C1	ZINC000408030562	531213028	/nfs/dbraw/zinc/21/30/28/531213028.db2.gz	ZVFQYUZAJNTRRZ-RYUDHWBXSA-N	1	1	380.388	1.679	10	0		GDAEMO
C/C=C(\C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12	ZINC000038321984	291103697	/nfs/dbraw/zinc/10/36/97/291103697.db2.gz	MVWPTZQHBOWRTF-SMLWLWDZSA-N	1	1	381.469	1.190	10	0	biogenic,in-vitro	GDAEMO
CCN1CCC[C@@H](C[N@@H+](C)CCCN2C(=O)CNC2=O)[C@@H]1c1cnn(C)c1	ZINC000328631371	209151064	/nfs/dbraw/zinc/15/10/64/209151064.db2.gz	KLJLZQWKJGLREE-MAUKXSAKSA-N	1	1	376.505	1.271	10	0		GDAEMO
CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2ccccc2F)C[N@H+]1C1CCOCC1	ZINC000097514286	211365943	/nfs/dbraw/zinc/36/59/43/211365943.db2.gz	WSNDEDAYHLQNEA-YJBOKZPZSA-N	1	1	377.460	1.242	10	0		GDAEMO
O=C(c1nc2ccccn2c1C[NH+]1CCC2(CNC(=O)O2)CC1)N1CCCC1	ZINC000071575119	211049239	/nfs/dbraw/zinc/04/92/39/211049239.db2.gz	ZGXLSRFCRGRDSV-UHFFFAOYSA-N	1	1	383.452	1.645	10	0		GDAEMO
Cc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CC(=O)N2CCNCC2)cc1	ZINC000033032716	210616662	/nfs/dbraw/zinc/61/66/62/210616662.db2.gz	JGOXGHIXGVXWQF-UHFFFAOYSA-N	1	1	386.540	1.745	10	0		GDAEMO
CC[C@@H](C)C(=O)NCc1nnc2n1CC[N@H+](Cc1ccc3c(c1)CCO3)CC2	ZINC000011788338	570582962	/nfs/dbraw/zinc/58/29/62/570582962.db2.gz	PCPMUOBKONUHHJ-OAHLLOKOSA-N	1	1	383.496	1.934	10	0		GDAEMO
NS(=O)(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000246860782	645096329	/nfs/dbraw/zinc/09/63/29/645096329.db2.gz	SKKYVKDCYPCVJS-WFASDCNBSA-N	1	1	386.905	1.338	10	0		GDAEMO
CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1ncc(S(N)(=O)=O)s1	ZINC000328921521	645289081	/nfs/dbraw/zinc/28/90/81/645289081.db2.gz	CERCOFBAOFUJKI-SMDDNHRTSA-N	1	1	384.531	1.043	10	0		GDAEMO
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)c1ncc(S(N)(=O)=O)s1	ZINC000328921521	645289083	/nfs/dbraw/zinc/28/90/83/645289083.db2.gz	CERCOFBAOFUJKI-SMDDNHRTSA-N	1	1	384.531	1.043	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000170939000	530591707	/nfs/dbraw/zinc/59/17/07/530591707.db2.gz	ZKLAWJVBRBSXJN-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000170939000	530591710	/nfs/dbraw/zinc/59/17/10/530591710.db2.gz	ZKLAWJVBRBSXJN-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000170939000	530591713	/nfs/dbraw/zinc/59/17/13/530591713.db2.gz	ZKLAWJVBRBSXJN-ZBFHGGJFSA-N	1	1	387.318	1.841	10	0		GDAEMO
O=C(CSCc1cc(=O)n2ccsc2n1)N1CCC[N@H+](C2CC2)CC1	ZINC000061604764	530741355	/nfs/dbraw/zinc/74/13/55/530741355.db2.gz	OIWBZBCWTRNBGA-UHFFFAOYSA-N	1	1	378.523	1.686	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2cccc(Br)c2)cn1	ZINC000181391669	530782827	/nfs/dbraw/zinc/78/28/27/530782827.db2.gz	IJNYUBMEQHKHKZ-HNNXBMFYSA-N	1	1	379.258	1.735	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@H]2COc3ccc(Br)cc32)cn1	ZINC000181438154	530783580	/nfs/dbraw/zinc/78/35/80/530783580.db2.gz	SNQOPGPNUHIUGD-LSDHHAIUSA-N	1	1	391.269	1.832	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)s1	ZINC000104501501	530838610	/nfs/dbraw/zinc/83/86/10/530838610.db2.gz	QBDYDIBMZDXYFM-CABCVRRESA-N	1	1	385.555	1.620	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000113226414	530887959	/nfs/dbraw/zinc/88/79/59/530887959.db2.gz	PPHPMJHCGCOYTF-UONOGXRCSA-N	1	1	383.539	1.841	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)CC1	ZINC000189461096	530914255	/nfs/dbraw/zinc/91/42/55/530914255.db2.gz	XRRQCOAVOPUIID-JTQLQIEISA-N	1	1	375.803	1.472	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000193492007	530987733	/nfs/dbraw/zinc/98/77/33/530987733.db2.gz	YUOQVDDYWDNDDU-CYBMUJFWSA-N	1	1	392.257	1.979	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCNS(=O)(=O)c1cccs1	ZINC000246117270	531063684	/nfs/dbraw/zinc/06/36/84/531063684.db2.gz	ONLHUHASKVBGSH-KBPBESRZSA-N	1	1	386.543	1.295	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1C	ZINC000246681248	531068945	/nfs/dbraw/zinc/06/89/45/531068945.db2.gz	ISKOGOLZGRCJTI-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(I)c2)C[C@@H]1C	ZINC000246681248	531068948	/nfs/dbraw/zinc/06/89/48/531068948.db2.gz	ISKOGOLZGRCJTI-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
O=C(CSc1nncs1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO	ZINC000245589424	531059384	/nfs/dbraw/zinc/05/93/84/531059384.db2.gz	OGBIELTZRDCXSV-CABCVRRESA-N	1	1	378.523	1.629	10	0		GDAEMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1	ZINC000247533131	531075626	/nfs/dbraw/zinc/07/56/26/531075626.db2.gz	PIWYRFJIZCFOGO-WFASDCNBSA-N	1	1	390.502	1.334	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1Br	ZINC000248748476	531081749	/nfs/dbraw/zinc/08/17/49/531081749.db2.gz	SXAAMVUPIPRXAA-ZYHUDNBSSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1Br	ZINC000248748468	531082261	/nfs/dbraw/zinc/08/22/61/531082261.db2.gz	SXAAMVUPIPRXAA-PWSUYJOCSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)NC)ccc1Cl	ZINC000246936008	531071186	/nfs/dbraw/zinc/07/11/86/531071186.db2.gz	KICHULWCCZCGSQ-OLZOCXBDSA-N	1	1	385.917	1.947	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000247133097	531072853	/nfs/dbraw/zinc/07/28/53/531072853.db2.gz	SKOINKMBVJQDLO-RYUDHWBXSA-N	1	1	384.274	1.857	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(C)c1I	ZINC000293240184	531410689	/nfs/dbraw/zinc/41/06/89/531410689.db2.gz	OLDYAJJNGIIJQR-SNVBAGLBSA-N	1	1	376.242	1.581	10	0		GDAEMO
COc1ccc2c(c1OC)[C@@]13CC[N@H+](C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)C(=O)C3	ZINC000098214406	211382061	/nfs/dbraw/zinc/38/20/61/211382061.db2.gz	UTTZNWQGZHNUIG-JMMIECQRSA-N	1	1	389.448	1.821	10	0		GDAEMO
COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)C(=O)C3	ZINC000098214406	211382065	/nfs/dbraw/zinc/38/20/65/211382065.db2.gz	UTTZNWQGZHNUIG-JMMIECQRSA-N	1	1	389.448	1.821	10	0		GDAEMO
NC(=O)C[NH+]1CCC(C(=O)NCc2nc(-c3ccc(F)cc3)cs2)CC1	ZINC000091871676	211210678	/nfs/dbraw/zinc/21/06/78/211210678.db2.gz	MDDLEIUQAHFCLT-UHFFFAOYSA-N	1	1	376.457	1.763	10	0		GDAEMO
CCN1CCN(Cc2ccc(OC)cc2OC[C@H](O)C[NH+]2CCCC2)CC1	ZINC000019838701	210302344	/nfs/dbraw/zinc/30/23/44/210302344.db2.gz	FOYMBLWSSRVRIU-LJQANCHMSA-N	1	1	377.529	1.668	10	0		GDAEMO
Nc1c(-n2ccnc2)ncnc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000040799498	132407603	/nfs/dbraw/zinc/40/76/03/132407603.db2.gz	LPKJPCFLNHNLTL-UHFFFAOYSA-N	1	1	379.424	1.295	10	0		GDAEMO
COc1c(C[N@H+]2CCC[C@H](c3n[nH]cc3CN3CCOCC3)C2)c(C)nn1C	ZINC000583616223	570801344	/nfs/dbraw/zinc/80/13/44/570801344.db2.gz	WQRNMPVJHBBUBL-INIZCTEOSA-N	1	1	388.516	1.672	10	0		GDAEMO
COCC[N@@H+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C[C@@H]1C	ZINC000124175126	644703952	/nfs/dbraw/zinc/70/39/52/644703952.db2.gz	VLUVQOIYIGWXFW-ZDUSSCGKSA-N	1	1	395.301	1.769	10	0		GDAEMO
COCC[N@H+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C[C@@H]1C	ZINC000124175126	644703958	/nfs/dbraw/zinc/70/39/58/644703958.db2.gz	VLUVQOIYIGWXFW-ZDUSSCGKSA-N	1	1	395.301	1.769	10	0		GDAEMO
Cc1nc(Cl)sc1C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000177829039	644921511	/nfs/dbraw/zinc/92/15/11/644921511.db2.gz	ULTBHOAWIQYJBX-CQSZACIVSA-N	1	1	386.949	1.972	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[NH+]1CCN(c2cccnn2)CC1	ZINC000170648789	530586663	/nfs/dbraw/zinc/58/66/63/530586663.db2.gz	RSTDMLLVOKEAKC-OAHLLOKOSA-N	1	1	393.285	1.801	10	0		GDAEMO
O=C(c1ccc2ncc(I)n2c1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000176520478	530684867	/nfs/dbraw/zinc/68/48/67/530684867.db2.gz	QUGWTNYIQZKTNI-GFCCVEGCSA-N	1	1	396.232	1.859	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cccc(I)c2)cn1	ZINC000181380129	530782307	/nfs/dbraw/zinc/78/23/07/530782307.db2.gz	BJJKPRAQDIKLSQ-AWEZNQCLSA-N	1	1	396.232	1.811	10	0		GDAEMO
C[C@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Br)c1	ZINC000182579339	530801241	/nfs/dbraw/zinc/80/12/41/530801241.db2.gz	ZPTXSXBZRNWJCY-VIFPVBQESA-N	1	1	392.257	1.574	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000106191623	530846644	/nfs/dbraw/zinc/84/66/44/530846644.db2.gz	LSXCZJNKEOFWNL-DOTOQJQBSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@H+]1CCO[C@@H](Cn2cccn2)C1	ZINC000106191623	530846646	/nfs/dbraw/zinc/84/66/46/530846646.db2.gz	LSXCZJNKEOFWNL-DOTOQJQBSA-N	1	1	396.285	1.786	10	0		GDAEMO
O=C(NCCC[NH+]1CCOCC1)N1CCN(Cc2ccc(Cl)s2)CC1	ZINC000105292111	530842230	/nfs/dbraw/zinc/84/22/30/530842230.db2.gz	KIGVYPFJOCCHTD-UHFFFAOYSA-N	1	1	386.949	1.951	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C	ZINC000117290239	530911914	/nfs/dbraw/zinc/91/19/14/530911914.db2.gz	XZJHTRMIQAFHNZ-LBPRGKRZSA-N	1	1	388.295	1.902	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1C	ZINC000117290239	530911919	/nfs/dbraw/zinc/91/19/19/530911919.db2.gz	XZJHTRMIQAFHNZ-LBPRGKRZSA-N	1	1	388.295	1.902	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1Br	ZINC000193536553	530988409	/nfs/dbraw/zinc/98/84/09/530988409.db2.gz	NFKGMAHKNNHVJO-GXFFZTMASA-N	1	1	383.290	1.936	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ncc1Br	ZINC000193536677	530988535	/nfs/dbraw/zinc/98/85/35/530988535.db2.gz	UCRGSLWGSDNWEW-WCQYABFASA-N	1	1	383.290	1.936	10	0		GDAEMO
O=C(CN1C(=O)c2ccc(Br)cc2C1=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195318642	531020866	/nfs/dbraw/zinc/02/08/66/531020866.db2.gz	NICFZAITHPDWAD-LBPRGKRZSA-N	1	1	392.253	1.352	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000194162515	531000435	/nfs/dbraw/zinc/00/04/35/531000435.db2.gz	STNPOHKAGHLORN-QWHCGFSZSA-N	1	1	381.274	1.868	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)s1	ZINC000246353859	531066292	/nfs/dbraw/zinc/06/62/92/531066292.db2.gz	MRTTZNJXKYGSIU-OCCSQVGLSA-N	1	1	386.543	1.213	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000245703110	531059562	/nfs/dbraw/zinc/05/95/62/531059562.db2.gz	XZBGWJRKWQHNFK-UWVGGRQHSA-N	1	1	375.853	1.435	10	0		GDAEMO
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)c2cccc(Br)c2)CC1	ZINC000252696044	531091199	/nfs/dbraw/zinc/09/11/99/531091199.db2.gz	LRWFHNGFCMWTBY-IAGOWNOFSA-N	1	1	396.329	1.721	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C	ZINC000246904303	531070141	/nfs/dbraw/zinc/07/01/41/531070141.db2.gz	FUOCHCFZPMGJAR-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C	ZINC000246904303	531070144	/nfs/dbraw/zinc/07/01/44/531070144.db2.gz	FUOCHCFZPMGJAR-NEPJUHHUSA-N	1	1	384.274	1.301	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@H](C)O	ZINC000246856706	531070225	/nfs/dbraw/zinc/07/02/25/531070225.db2.gz	CJSINVAPRUOTSV-QWHCGFSZSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1C[C@H](C)O	ZINC000246856706	531070228	/nfs/dbraw/zinc/07/02/28/531070228.db2.gz	CJSINVAPRUOTSV-QWHCGFSZSA-N	1	1	398.301	1.691	10	0		GDAEMO
CN(CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)C(=O)c1ccc(Br)o1	ZINC000408145808	531221561	/nfs/dbraw/zinc/22/15/61/531221561.db2.gz	VQWHGCPXFSWGPW-NWDGAFQWSA-N	1	1	384.274	1.667	10	0		GDAEMO
Cn1ncc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)c(Br)c1=O	ZINC000301221907	532029216	/nfs/dbraw/zinc/02/92/16/532029216.db2.gz	BZOGZLHVPOQMGA-AWEZNQCLSA-N	1	1	393.285	1.374	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCOC[C@H]1C	ZINC000301395228	532033434	/nfs/dbraw/zinc/03/34/34/532033434.db2.gz	LFKQXXJGGVIWGJ-WDEREUQCSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@H+]1CCOC[C@H]1C	ZINC000301395228	532033440	/nfs/dbraw/zinc/03/34/40/532033440.db2.gz	LFKQXXJGGVIWGJ-WDEREUQCSA-N	1	1	381.420	1.874	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)cc1OC	ZINC000285200447	532046981	/nfs/dbraw/zinc/04/69/81/532046981.db2.gz	VUTIPSBDUXUJLT-CHWSQXEVSA-N	1	1	390.889	1.451	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)cc1OC	ZINC000285200447	532046986	/nfs/dbraw/zinc/04/69/86/532046986.db2.gz	VUTIPSBDUXUJLT-CHWSQXEVSA-N	1	1	390.889	1.451	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000329566371	532105707	/nfs/dbraw/zinc/10/57/07/532105707.db2.gz	STCOUAMASOCGPB-HIFRSBDPSA-N	1	1	385.917	1.704	10	0		GDAEMO
CC(C)[N@@H+]1C[C@H](NC(=O)Nc2nnc3ccc(Br)cn32)[C@@H](C)C1	ZINC000333632828	532243011	/nfs/dbraw/zinc/24/30/11/532243011.db2.gz	HSWJRWUEUMAQQD-JQWIXIFHSA-N	1	1	381.278	2.342	10	0		GDAEMO
CN(Cc1cccc(-n2cccn2)c1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C1CCCC1	ZINC000020209909	210322646	/nfs/dbraw/zinc/32/26/46/210322646.db2.gz	MANWALBXYNXFBR-FQEVSTJZSA-N	1	1	395.507	1.964	10	0		GDAEMO
COc1ccc2c(c1OC)[C@@]13CC[N@H+](C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](OC)C(=O)C3	ZINC000096023776	570283888	/nfs/dbraw/zinc/28/38/88/570283888.db2.gz	UTTZNWQGZHNUIG-DXUGQKIESA-N	1	1	389.448	1.821	10	0	biogenic	GDAEMO
COc1ccc2c(c1OC)[C@@]13CC[N@@H+](C)[C@@]14C[C@@H]2O[C@]4(OC)[C@@H](OC)C(=O)C3	ZINC000096023776	570283889	/nfs/dbraw/zinc/28/38/89/570283889.db2.gz	UTTZNWQGZHNUIG-DXUGQKIESA-N	1	1	389.448	1.821	10	0	biogenic	GDAEMO
Cc1cccc(OCC[N@H+]2CCc3nn(CC(=O)N4CCCC4)c(=O)cc3C2)c1	ZINC000128719906	570323081	/nfs/dbraw/zinc/32/30/81/570323081.db2.gz	GLTODAHBCBGLGQ-UHFFFAOYSA-N	1	1	396.491	1.611	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S	ZINC000177164507	644916972	/nfs/dbraw/zinc/91/69/72/644916972.db2.gz	LZQWQZOCKXWUNE-KGLIPLIRSA-N	1	1	387.575	1.227	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1	ZINC000893767680	658445093	/nfs/dbraw/zinc/44/50/93/658445093.db2.gz	GSUHDRXFNFDSCV-NWDGAFQWSA-N	1	1	385.262	1.325	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n1	ZINC000893767680	658445096	/nfs/dbraw/zinc/44/50/96/658445096.db2.gz	GSUHDRXFNFDSCV-NWDGAFQWSA-N	1	1	385.262	1.325	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)C1	ZINC000172172889	530609385	/nfs/dbraw/zinc/60/93/85/530609385.db2.gz	NVABLZRPMDROMX-SXBQZSJRSA-N	1	1	385.917	1.758	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000174286388	530645764	/nfs/dbraw/zinc/64/57/64/530645764.db2.gz	STCJBAIDJFQVQF-NXEZZACHSA-N	1	1	377.226	1.146	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000174286388	530645766	/nfs/dbraw/zinc/64/57/66/530645766.db2.gz	STCJBAIDJFQVQF-NXEZZACHSA-N	1	1	377.226	1.146	10	0		GDAEMO
Cc1cc(S(=O)(=O)NCCNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)s1	ZINC000178451220	530721102	/nfs/dbraw/zinc/72/11/02/530721102.db2.gz	DBVGDKSTSXYEGA-AWEZNQCLSA-N	1	1	386.543	1.133	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000177612727	530707205	/nfs/dbraw/zinc/70/72/05/530707205.db2.gz	YVJYSHRKKVHYQB-DOMZBBRYSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000177612727	530707206	/nfs/dbraw/zinc/70/72/06/530707206.db2.gz	YVJYSHRKKVHYQB-DOMZBBRYSA-N	1	1	398.301	1.691	10	0		GDAEMO
O=C(Nc1cccc(I)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177696774	530709101	/nfs/dbraw/zinc/70/91/01/530709101.db2.gz	WWBWXIBXDQTJCS-CYBMUJFWSA-N	1	1	399.232	1.536	10	0		GDAEMO
CN(CC(=O)N1CCC[N@H+](C2CC2)CC1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000061605775	530741531	/nfs/dbraw/zinc/74/15/31/530741531.db2.gz	SKNXNOQJFGAUQM-UHFFFAOYSA-N	1	1	385.917	1.657	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2n[nH]c3ccc(Br)cc32)cn1	ZINC000181323153	530781883	/nfs/dbraw/zinc/78/18/83/530781883.db2.gz	GALOOANDBPDQRL-AWEZNQCLSA-N	1	1	389.257	1.846	10	0		GDAEMO
COc1ccc(Br)c(CC(=O)N2CC[NH2+]C[C@H]2c2cnn(C)c2)c1	ZINC000181440869	530783822	/nfs/dbraw/zinc/78/38/22/530783822.db2.gz	ZLGZIUZIDDWHGD-INIZCTEOSA-N	1	1	393.285	1.907	10	0		GDAEMO
CC[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000106103155	530846547	/nfs/dbraw/zinc/84/65/47/530846547.db2.gz	YIWRWIPDFQCRBA-UKRRQHHQSA-N	1	1	376.469	1.960	10	0		GDAEMO
CC[C@@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000106103155	530846550	/nfs/dbraw/zinc/84/65/50/530846550.db2.gz	YIWRWIPDFQCRBA-UKRRQHHQSA-N	1	1	376.469	1.960	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000117285296	530912021	/nfs/dbraw/zinc/91/20/21/530912021.db2.gz	JUPGJNPOMIORJO-SNVBAGLBSA-N	1	1	377.226	1.412	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000117285296	530912024	/nfs/dbraw/zinc/91/20/24/530912024.db2.gz	JUPGJNPOMIORJO-SNVBAGLBSA-N	1	1	377.226	1.412	10	0		GDAEMO
Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1	ZINC000120417646	530940328	/nfs/dbraw/zinc/94/03/28/530940328.db2.gz	VGQKCQAKXAWVIR-OAHLLOKOSA-N	1	1	384.889	1.505	10	0		GDAEMO
Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cn1	ZINC000120417646	530940331	/nfs/dbraw/zinc/94/03/31/530940331.db2.gz	VGQKCQAKXAWVIR-OAHLLOKOSA-N	1	1	384.889	1.505	10	0		GDAEMO
Cn1cc[nH+]c1CC1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1	ZINC000121988992	530965302	/nfs/dbraw/zinc/96/53/02/530965302.db2.gz	IHXHAHXOBABQET-UHFFFAOYSA-N	1	1	382.511	1.241	10	0		GDAEMO
Cn1cnc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1Cl	ZINC000192938683	530976539	/nfs/dbraw/zinc/97/65/39/530976539.db2.gz	CXPHGUIZATVYBD-AWEZNQCLSA-N	1	1	383.905	1.611	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[N@H+]3CCC[C@@H]3C2)s1	ZINC000195328032	531020714	/nfs/dbraw/zinc/02/07/14/531020714.db2.gz	YFCQYFOGOZEAQS-CABCVRRESA-N	1	1	383.539	1.516	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000194326384	531002914	/nfs/dbraw/zinc/00/29/14/531002914.db2.gz	UDWSDOVTWGFRCQ-LRDDRELGSA-N	1	1	383.286	1.932	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000194326384	531002918	/nfs/dbraw/zinc/00/29/18/531002918.db2.gz	UDWSDOVTWGFRCQ-LRDDRELGSA-N	1	1	383.286	1.932	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1C	ZINC000246017344	531062031	/nfs/dbraw/zinc/06/20/31/531062031.db2.gz	JHXJAFJHZATVBM-QWRGUYRKSA-N	1	1	387.278	1.067	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CCNC(C)=O)s1	ZINC000246248048	531065775	/nfs/dbraw/zinc/06/57/75/531065775.db2.gz	SHGBQEJNINPGIM-GJZGRUSLSA-N	1	1	385.555	1.674	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000245535895	531057960	/nfs/dbraw/zinc/05/79/60/531057960.db2.gz	KXKWBKLJUKZRAT-OLZOCXBDSA-N	1	1	397.324	1.747	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1	ZINC000245535895	531057964	/nfs/dbraw/zinc/05/79/64/531057964.db2.gz	KXKWBKLJUKZRAT-OLZOCXBDSA-N	1	1	397.324	1.747	10	0		GDAEMO
Cc1nc([C@H]2CN(C[C@@H](O)COc3cccc(Br)c3)CCO2)n[nH]1	ZINC000247509764	531074959	/nfs/dbraw/zinc/07/49/59/531074959.db2.gz	MJWWINAOHZCHAY-UKRRQHHQSA-N	1	1	397.273	1.689	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000247501075	531075387	/nfs/dbraw/zinc/07/53/87/531075387.db2.gz	VBDPDXZURSSPCM-HIFRSBDPSA-N	1	1	385.917	1.656	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000249116473	531084745	/nfs/dbraw/zinc/08/47/45/531084745.db2.gz	BHGJHRYPPULNPW-KBPBESRZSA-N	1	1	381.274	1.868	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000246711547	531069617	/nfs/dbraw/zinc/06/96/17/531069617.db2.gz	ZZOVYNFNLJHQIG-HOTGVXAUSA-N	1	1	386.539	1.479	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C	ZINC000156138784	531204055	/nfs/dbraw/zinc/20/40/55/531204055.db2.gz	LIOLDIDKRYYGBW-LLVKDONJSA-N	1	1	387.278	1.332	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1C	ZINC000156138784	531204056	/nfs/dbraw/zinc/20/40/56/531204056.db2.gz	LIOLDIDKRYYGBW-LLVKDONJSA-N	1	1	387.278	1.332	10	0		GDAEMO
C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000408111349	531219605	/nfs/dbraw/zinc/21/96/05/531219605.db2.gz	AIJFLKUSECLKEP-NSHDSACASA-N	1	1	382.258	1.337	10	0		GDAEMO
C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000408111349	531219610	/nfs/dbraw/zinc/21/96/10/531219610.db2.gz	AIJFLKUSECLKEP-NSHDSACASA-N	1	1	382.258	1.337	10	0		GDAEMO
C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000408111348	531219639	/nfs/dbraw/zinc/21/96/39/531219639.db2.gz	AIJFLKUSECLKEP-LLVKDONJSA-N	1	1	382.258	1.337	10	0		GDAEMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)COc2cc(Br)ccc21	ZINC000408111348	531219646	/nfs/dbraw/zinc/21/96/46/531219646.db2.gz	AIJFLKUSECLKEP-LLVKDONJSA-N	1	1	382.258	1.337	10	0		GDAEMO
CN1[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1	ZINC000035442461	209192292	/nfs/dbraw/zinc/19/22/92/209192292.db2.gz	XRCMWSSYRWVHIY-WDYCEAGBSA-N	1	1	390.553	1.428	10	0		GDAEMO
C[N@@H+]1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1	ZINC000035442461	209192295	/nfs/dbraw/zinc/19/22/95/209192295.db2.gz	XRCMWSSYRWVHIY-WDYCEAGBSA-N	1	1	390.553	1.428	10	0		GDAEMO
C[N@H+]1[C@@H]2CCN(CC3CC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1	ZINC000035442461	209192300	/nfs/dbraw/zinc/19/23/00/209192300.db2.gz	XRCMWSSYRWVHIY-WDYCEAGBSA-N	1	1	390.553	1.428	10	0		GDAEMO
COCCN1C(=O)C[C@@H](C[NH2+]C2CCN(C(C)C)CC2)[C@@H]1c1cnn(C)c1	ZINC000328634823	209150714	/nfs/dbraw/zinc/15/07/14/209150714.db2.gz	UGTQWMFHKZVONZ-OXJNMPFZSA-N	1	1	377.533	1.419	10	0		GDAEMO
CCCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)NCC)[N@@H+](C3CCOCC3)C2)no1	ZINC000097831100	211373989	/nfs/dbraw/zinc/37/39/89/211373989.db2.gz	KBXJQMIKJIYNCV-GUYCJALGSA-N	1	1	378.473	1.115	10	0		GDAEMO
CCCc1cc(C(=O)N[C@H]2C[C@@H](C(=O)NCC)[N@H+](C3CCOCC3)C2)no1	ZINC000097831100	211373993	/nfs/dbraw/zinc/37/39/93/211373993.db2.gz	KBXJQMIKJIYNCV-GUYCJALGSA-N	1	1	378.473	1.115	10	0		GDAEMO
CCOC(=O)c1n[nH]cc1C[NH+]1CCC(CCC(=O)NC[C@@H]2CCCO2)CC1	ZINC000012314813	570304386	/nfs/dbraw/zinc/30/43/86/570304386.db2.gz	VBICLTVRQHEHEE-KRWDZBQOSA-N	1	1	392.500	1.874	10	0		GDAEMO
CCN1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)[C@@H](C)C1	ZINC000252537314	570991663	/nfs/dbraw/zinc/99/16/63/570991663.db2.gz	KYFPYKHWSYQFMN-ICSUOEFDSA-N	1	1	391.560	1.584	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C	ZINC000177606212	530706076	/nfs/dbraw/zinc/70/60/76/530706076.db2.gz	FUOCHCFZPMGJAR-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2)C[C@H]1C	ZINC000177606212	530706080	/nfs/dbraw/zinc/70/60/80/530706080.db2.gz	FUOCHCFZPMGJAR-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1C[C@@H](C)O	ZINC000177617013	530707172	/nfs/dbraw/zinc/70/71/72/530707172.db2.gz	CJSINVAPRUOTSV-OLZOCXBDSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1C[C@@H](C)O	ZINC000177617013	530707176	/nfs/dbraw/zinc/70/71/76/530707176.db2.gz	CJSINVAPRUOTSV-OLZOCXBDSA-N	1	1	398.301	1.691	10	0		GDAEMO
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC[N@H+](C2CC2)CC1	ZINC000061605665	530741288	/nfs/dbraw/zinc/74/12/88/530741288.db2.gz	OODFOCUHYIFJQH-ZDUSSCGKSA-N	1	1	385.917	1.704	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C(=O)Nc1cccnc1Br	ZINC000179851790	530751798	/nfs/dbraw/zinc/75/17/98/530751798.db2.gz	CYOYIJVLWMSKAZ-LBPRGKRZSA-N	1	1	392.257	1.979	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc(I)c[nH]2)cn1	ZINC000181373107	530782522	/nfs/dbraw/zinc/78/25/22/530782522.db2.gz	NNRZNOQDFYVDFE-LBPRGKRZSA-N	1	1	385.209	1.140	10	0		GDAEMO
CC[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@H+]1CCOC	ZINC000106114635	530846496	/nfs/dbraw/zinc/84/64/96/530846496.db2.gz	KYKBAOAZBADLFT-AWEZNQCLSA-N	1	1	385.306	1.825	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Br)ccc2C)CC1	ZINC000189452911	530913919	/nfs/dbraw/zinc/91/39/19/530913919.db2.gz	VMPVZVGFXQWMTR-AWEZNQCLSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCNS(=O)(=O)c1cccs1	ZINC000125485671	531006585	/nfs/dbraw/zinc/00/65/85/531006585.db2.gz	ONLHUHASKVBGSH-ZIAGYGMSSA-N	1	1	386.543	1.295	10	0		GDAEMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1	ZINC000195075468	531014902	/nfs/dbraw/zinc/01/49/02/531014902.db2.gz	YKNUANABTUZUEZ-ZDUSSCGKSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1	ZINC000195075468	531014904	/nfs/dbraw/zinc/01/49/04/531014904.db2.gz	YKNUANABTUZUEZ-ZDUSSCGKSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(=O)c1ccc(Br)s1	ZINC000195335900	531021162	/nfs/dbraw/zinc/02/11/62/531021162.db2.gz	JDMWDMXNFQCXHC-LLVKDONJSA-N	1	1	386.315	1.889	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(Br)o1	ZINC000246037291	531062192	/nfs/dbraw/zinc/06/21/92/531062192.db2.gz	QZORWQKJULUMRX-VIFPVBQESA-N	1	1	393.259	1.297	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c(Br)o1	ZINC000246037291	531062197	/nfs/dbraw/zinc/06/21/97/531062197.db2.gz	QZORWQKJULUMRX-VIFPVBQESA-N	1	1	393.259	1.297	10	0		GDAEMO
CCOc1cc(CNCCC[NH2+]CCO)ccc1OCC(=O)NC(C)(C)C	ZINC000013732990	210086551	/nfs/dbraw/zinc/08/65/51/210086551.db2.gz	MSXYWYSAMSJWFI-UHFFFAOYSA-N	1	1	381.517	1.440	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1C[C@H](C)O	ZINC000245654487	531059732	/nfs/dbraw/zinc/05/97/32/531059732.db2.gz	KWPHKFKLWYFLPS-SMDDNHRTSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000245654487	531059736	/nfs/dbraw/zinc/05/97/36/531059736.db2.gz	KWPHKFKLWYFLPS-SMDDNHRTSA-N	1	1	399.289	1.086	10	0		GDAEMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(S(C)(=O)=O)c(F)c2)C1	ZINC000247533124	531075413	/nfs/dbraw/zinc/07/54/13/531075413.db2.gz	PIWYRFJIZCFOGO-SWLSCSKDSA-N	1	1	390.502	1.334	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@H]1CN1CCOCC1	ZINC000247555564	531075506	/nfs/dbraw/zinc/07/55/06/531075506.db2.gz	QIQWVVWFXWEGJE-IRXDYDNUSA-N	1	1	399.329	1.985	10	0		GDAEMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21	ZINC000247638749	531076125	/nfs/dbraw/zinc/07/61/25/531076125.db2.gz	UMVMMNBETIKGMQ-GDBMZVCRSA-N	1	1	386.539	1.503	10	0		GDAEMO
Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21	ZINC000247638749	531076130	/nfs/dbraw/zinc/07/61/30/531076130.db2.gz	UMVMMNBETIKGMQ-GDBMZVCRSA-N	1	1	386.539	1.503	10	0		GDAEMO
CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000253356144	531092279	/nfs/dbraw/zinc/09/22/79/531092279.db2.gz	WSYPIXVIJSNQEY-HZPDHXFCSA-N	1	1	376.906	1.231	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C	ZINC000247200375	531072730	/nfs/dbraw/zinc/07/27/30/531072730.db2.gz	XDBRTQRRQLBVTD-ZJUUUORDSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@H]1C	ZINC000247200375	531072732	/nfs/dbraw/zinc/07/27/32/531072732.db2.gz	XDBRTQRRQLBVTD-ZJUUUORDSA-N	1	1	375.803	1.470	10	0		GDAEMO
CO[C@H]1C[C@@H](CO)[N@H+](CC(=O)Nc2cccc(I)c2)C1	ZINC000380483980	532295140	/nfs/dbraw/zinc/29/51/40/532295140.db2.gz	UZZJJUZEAYOPIG-STQMWFEESA-N	1	1	390.221	1.311	10	0		GDAEMO
CO[C@H]1C[C@@H](CO)[N@@H+](CC(=O)Nc2cccc(I)c2)C1	ZINC000380483980	532295142	/nfs/dbraw/zinc/29/51/42/532295142.db2.gz	UZZJJUZEAYOPIG-STQMWFEESA-N	1	1	390.221	1.311	10	0		GDAEMO
Cc1cc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)sc1Br	ZINC000404110836	532306064	/nfs/dbraw/zinc/30/60/64/532306064.db2.gz	JPRSWWOZBYXPOV-UWVGGRQHSA-N	1	1	381.317	1.570	10	0		GDAEMO
Cc1cccc2[nH]c(CN(C)C(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)nc21	ZINC000012305560	570299378	/nfs/dbraw/zinc/29/93/78/570299378.db2.gz	DTNCWCCLFNVBFX-KRWDZBQOSA-N	1	1	383.496	1.963	10	0		GDAEMO
Cc1cccc2nc(CN(C)C(=O)C[C@H]3C(=O)NCC[N@@H+]3C3CCCC3)[nH]c21	ZINC000012305560	570299380	/nfs/dbraw/zinc/29/93/80/570299380.db2.gz	DTNCWCCLFNVBFX-KRWDZBQOSA-N	1	1	383.496	1.963	10	0		GDAEMO
Cc1cccc2nc(CN(C)C(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)[nH]c21	ZINC000012305560	570299381	/nfs/dbraw/zinc/29/93/81/570299381.db2.gz	DTNCWCCLFNVBFX-KRWDZBQOSA-N	1	1	383.496	1.963	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)Cn1nc([C@@H]2CCS(=O)(=O)C2)n(C)c1=S	ZINC000177164481	644916784	/nfs/dbraw/zinc/91/67/84/644916784.db2.gz	LZQWQZOCKXWUNE-ZIAGYGMSSA-N	1	1	387.575	1.227	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)Cn1nc([C@H]2CCS(=O)(=O)C2)n(C)c1=S	ZINC000245419716	645091598	/nfs/dbraw/zinc/09/15/98/645091598.db2.gz	LZQWQZOCKXWUNE-KBPBESRZSA-N	1	1	387.575	1.227	10	0		GDAEMO
Cc1ccsc1S(=O)(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000329757510	645327707	/nfs/dbraw/zinc/32/77/07/645327707.db2.gz	ZJWAMQFWCYVMSA-INIZCTEOSA-N	1	1	387.571	1.472	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(S(=O)(=O)NC)s1	ZINC000173618218	530633640	/nfs/dbraw/zinc/63/36/40/530633640.db2.gz	JGJQOJOCQRACRJ-QWHCGFSZSA-N	1	1	386.543	1.424	10	0		GDAEMO
C[C@H]1C[N@H+](C2CCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)CCO1	ZINC000173625929	530634404	/nfs/dbraw/zinc/63/44/04/530634404.db2.gz	WRAAHCWYTYSTDJ-NSHDSACASA-N	1	1	384.274	1.463	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccs1	ZINC000177206257	530699039	/nfs/dbraw/zinc/69/90/39/530699039.db2.gz	AGTBLDNCLLIHNN-AWEZNQCLSA-N	1	1	382.511	1.613	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccs1	ZINC000177219375	530699183	/nfs/dbraw/zinc/69/91/83/530699183.db2.gz	KKLBOUAWOQSKRU-TZMCWYRMSA-N	1	1	382.511	1.611	10	0		GDAEMO
C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1	ZINC000177227711	530699420	/nfs/dbraw/zinc/69/94/20/530699420.db2.gz	LHZRWJJHKLFGPU-JSGCOSHPSA-N	1	1	383.290	1.435	10	0		GDAEMO
C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@@H]1N1CCOCC1	ZINC000177227711	530699423	/nfs/dbraw/zinc/69/94/23/530699423.db2.gz	LHZRWJJHKLFGPU-JSGCOSHPSA-N	1	1	383.290	1.435	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1	ZINC000179822398	530751417	/nfs/dbraw/zinc/75/14/17/530751417.db2.gz	CKRAPUQTEWYWHC-GFCCVEGCSA-N	1	1	399.289	1.029	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccncc2I)cn1	ZINC000181448311	530783609	/nfs/dbraw/zinc/78/36/09/530783609.db2.gz	GJGPCBKLAZOTPO-CYBMUJFWSA-N	1	1	397.220	1.206	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cnc1Br	ZINC000182816002	530805383	/nfs/dbraw/zinc/80/53/83/530805383.db2.gz	LIXISDLAVYSUDB-ZDUSSCGKSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cnc1Br	ZINC000182816002	530805386	/nfs/dbraw/zinc/80/53/86/530805386.db2.gz	LIXISDLAVYSUDB-ZDUSSCGKSA-N	1	1	381.274	1.788	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)N2CCc3ccc(Br)cc32)C1	ZINC000112473505	530882029	/nfs/dbraw/zinc/88/20/29/530882029.db2.gz	NRYZDTCDSHJOAA-CQSZACIVSA-N	1	1	380.286	1.939	10	0		GDAEMO
CCC(CC)CS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372738	530913021	/nfs/dbraw/zinc/91/30/21/530913021.db2.gz	NMZLTVLOERPFTH-GOSISDBHSA-N	1	1	375.579	1.479	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)n1	ZINC000190110427	530925119	/nfs/dbraw/zinc/92/51/19/530925119.db2.gz	CQTFKJIRARMFET-RYUDHWBXSA-N	1	1	381.274	1.786	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1	ZINC000195481815	531025153	/nfs/dbraw/zinc/02/51/53/531025153.db2.gz	MHNNHEPAPDXUOY-LLVKDONJSA-N	1	1	384.274	1.997	10	0		GDAEMO
C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccnc3Br)CC[C@H]21	ZINC000245937809	531061348	/nfs/dbraw/zinc/06/13/48/531061348.db2.gz	AFZMTFAMLGYPEE-DGCLKSJQSA-N	1	1	381.274	1.725	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C	ZINC000246031502	531062388	/nfs/dbraw/zinc/06/23/88/531062388.db2.gz	MBKMRMGIFCRUFK-UWVGGRQHSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C	ZINC000246031502	531062391	/nfs/dbraw/zinc/06/23/91/531062391.db2.gz	MBKMRMGIFCRUFK-UWVGGRQHSA-N	1	1	375.803	1.470	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(S(=O)(=O)NC)s1	ZINC000246137573	531063826	/nfs/dbraw/zinc/06/38/26/531063826.db2.gz	JGJQOJOCQRACRJ-OLZOCXBDSA-N	1	1	386.543	1.424	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1	ZINC000245524890	531057529	/nfs/dbraw/zinc/05/75/29/531057529.db2.gz	AZROLGGKTNJJTI-IAOVAPTHSA-N	1	1	390.933	1.792	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000247501080	531075261	/nfs/dbraw/zinc/07/52/61/531075261.db2.gz	VBDPDXZURSSPCM-ZFWWWQNUSA-N	1	1	385.917	1.656	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ncc1Br	ZINC000248752846	531081870	/nfs/dbraw/zinc/08/18/70/531081870.db2.gz	VEZOLEYRYVLMBD-RYUDHWBXSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ncc1Br	ZINC000248752846	531081873	/nfs/dbraw/zinc/08/18/73/531081873.db2.gz	VEZOLEYRYVLMBD-RYUDHWBXSA-N	1	1	399.289	1.005	10	0		GDAEMO
CS(=O)(=O)c1ccc([C@H](O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000249539408	531087699	/nfs/dbraw/zinc/08/76/99/531087699.db2.gz	DMEQXFJCELHLLC-RYQLBKOJSA-N	1	1	381.519	1.893	10	0		GDAEMO
C[C@@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1[NH+]1CCOCC1	ZINC000156087403	531203983	/nfs/dbraw/zinc/20/39/83/531203983.db2.gz	LNEHOBWBEAXYHC-RISCZKNCSA-N	1	1	399.289	1.332	10	0		GDAEMO
Cc1csc(C2CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC2)n1	ZINC000156790908	531205566	/nfs/dbraw/zinc/20/55/66/531205566.db2.gz	DBKUTLKIEQESOA-UHFFFAOYSA-N	1	1	388.559	1.029	10	0		GDAEMO
O=S1(=O)CCC(O)(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)CC1	ZINC000408441102	531241233	/nfs/dbraw/zinc/24/12/33/531241233.db2.gz	CEEHBHDWUJPQNK-LLVKDONJSA-N	1	1	381.420	1.548	10	0		GDAEMO
Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+]Cc2c(Br)cnn2C)CC(=O)N1C	ZINC000330175562	532117113	/nfs/dbraw/zinc/11/71/13/532117113.db2.gz	JESZQNJJPCMUNY-MLGOLLRUSA-N	1	1	395.305	1.595	10	0		GDAEMO
C[NH+]1CCN(C(=O)Oc2c3[nH]ccc(Cl)c-3c(=O)n2-c2ccncn2)CC1	ZINC000334161906	209177890	/nfs/dbraw/zinc/17/78/90/209177890.db2.gz	GYQFOKUJGPPEHA-INIZCTEOSA-N	1	1	388.815	1.568	10	0		GDAEMO
Cc1nn(CC(=O)N2CC[NH+](C)CC2)c(=O)c2nc(-c3ccccc3)sc21	ZINC000096400140	211341526	/nfs/dbraw/zinc/34/15/26/211341526.db2.gz	HNHMUILOJGTZOJ-UHFFFAOYSA-N	1	1	383.477	1.602	10	0		GDAEMO
C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(CN2CCNC(=O)CC2)cc1	ZINC000020637998	210353110	/nfs/dbraw/zinc/35/31/10/210353110.db2.gz	NUJSDGPIWPDAHD-OAQYLSRUSA-N	1	1	397.519	1.880	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)Cn1nc([C@H]2CCS(=O)(=O)C2)n(C)c1=S	ZINC000245419719	645091616	/nfs/dbraw/zinc/09/16/16/645091616.db2.gz	LZQWQZOCKXWUNE-UONOGXRCSA-N	1	1	387.575	1.227	10	0		GDAEMO
O=S1(=O)CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@H]21	ZINC000329179403	645301336	/nfs/dbraw/zinc/30/13/36/645301336.db2.gz	NJXRTSIYORSOAW-NJZAAPMLSA-N	1	1	390.299	1.308	10	0		GDAEMO
O=S1(=O)CC[C@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C[C@H]21	ZINC000329179403	645301344	/nfs/dbraw/zinc/30/13/44/645301344.db2.gz	NJXRTSIYORSOAW-NJZAAPMLSA-N	1	1	390.299	1.308	10	0		GDAEMO
CCc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)CCOC)n3CC2)o1	ZINC000014880084	210130053	/nfs/dbraw/zinc/13/00/53/210130053.db2.gz	GXYKSXRUNCGPBK-AWEZNQCLSA-N	1	1	375.473	1.706	10	0		GDAEMO
Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)COc1cccc(Br)c1)CC2	ZINC000172791138	530617833	/nfs/dbraw/zinc/61/78/33/530617833.db2.gz	SLSCZZMVZHQDFX-CQSZACIVSA-N	1	1	394.269	1.341	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2I)C[C@@H]1C	ZINC000174322125	530646624	/nfs/dbraw/zinc/64/66/24/530646624.db2.gz	KCLYYEUMOOCPKL-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccccc2I)C[C@@H]1C	ZINC000174322125	530646627	/nfs/dbraw/zinc/64/66/27/530646627.db2.gz	KCLYYEUMOOCPKL-NWDGAFQWSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@@H]1[NH+]1CCOCC1	ZINC000177969133	530713412	/nfs/dbraw/zinc/71/34/12/530713412.db2.gz	KZZXYEASHADYSR-RISCZKNCSA-N	1	1	399.289	1.332	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1C[C@@H](C)O	ZINC000179844342	530751085	/nfs/dbraw/zinc/75/10/85/530751085.db2.gz	VWVKORYYTSMXSV-VXGBXAGGSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1C[C@@H](C)O	ZINC000179844342	530751087	/nfs/dbraw/zinc/75/10/87/530751087.db2.gz	VWVKORYYTSMXSV-VXGBXAGGSA-N	1	1	399.289	1.086	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)[C@H]2COc3ccc(Br)cc32)cn1	ZINC000181438138	530783236	/nfs/dbraw/zinc/78/32/36/530783236.db2.gz	SNQOPGPNUHIUGD-GJZGRUSLSA-N	1	1	391.269	1.832	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1cnn(CC(F)(F)F)c1	ZINC000184966830	530834409	/nfs/dbraw/zinc/83/44/09/530834409.db2.gz	YURVWJGIXNNBKT-LBPRGKRZSA-N	1	1	377.392	1.804	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2csc(I)c2)CC1	ZINC000107597350	530854833	/nfs/dbraw/zinc/85/48/33/530854833.db2.gz	WHCMRZBTWHTLLG-NSHDSACASA-N	1	1	394.278	1.881	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@@H]1C	ZINC000186538306	530858036	/nfs/dbraw/zinc/85/80/36/530858036.db2.gz	XHGWVVZKFSPTBA-NWDGAFQWSA-N	1	1	386.290	1.751	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000113444794	530889856	/nfs/dbraw/zinc/88/98/56/530889856.db2.gz	JTGCAXLUXDBLTF-ZIAGYGMSSA-N	1	1	385.917	1.704	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000117285297	530911881	/nfs/dbraw/zinc/91/18/81/530911881.db2.gz	JUPGJNPOMIORJO-JTQLQIEISA-N	1	1	377.226	1.412	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000117285297	530911885	/nfs/dbraw/zinc/91/18/85/530911885.db2.gz	JUPGJNPOMIORJO-JTQLQIEISA-N	1	1	377.226	1.412	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(Br)n1	ZINC000190110446	530925511	/nfs/dbraw/zinc/92/55/11/530925511.db2.gz	CQTFKJIRARMFET-NWDGAFQWSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cn1cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cn1	ZINC000120417488	530940303	/nfs/dbraw/zinc/94/03/03/530940303.db2.gz	VGQKCQAKXAWVIR-HNNXBMFYSA-N	1	1	384.889	1.505	10	0		GDAEMO
Cn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cn1	ZINC000120417488	530940305	/nfs/dbraw/zinc/94/03/05/530940305.db2.gz	VGQKCQAKXAWVIR-HNNXBMFYSA-N	1	1	384.889	1.505	10	0		GDAEMO
Cn1c2ccc(C[N@@H+]3CC[C@@H](S(=O)(=O)N4CCCC4)C3)cc2sc1=O	ZINC000192627535	530970792	/nfs/dbraw/zinc/97/07/92/530970792.db2.gz	HPTWGYLCYZLZLW-CQSZACIVSA-N	1	1	381.523	1.600	10	0		GDAEMO
Cn1c2ccc(C[N@H+]3CC[C@@H](S(=O)(=O)N4CCCC4)C3)cc2sc1=O	ZINC000192627535	530970794	/nfs/dbraw/zinc/97/07/94/530970794.db2.gz	HPTWGYLCYZLZLW-CQSZACIVSA-N	1	1	381.523	1.600	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1	ZINC000195468063	531023791	/nfs/dbraw/zinc/02/37/91/531023791.db2.gz	DPKMTIQXIXAJFR-OAHLLOKOSA-N	1	1	397.317	1.962	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000247322860	531074625	/nfs/dbraw/zinc/07/46/25/531074625.db2.gz	OUIKWLNUDYMLJT-QWRGUYRKSA-N	1	1	377.919	1.375	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](N2CCOCC2)C1	ZINC000247709495	531076385	/nfs/dbraw/zinc/07/63/85/531076385.db2.gz	ZVIAEXJZTIADDJ-HZPDHXFCSA-N	1	1	385.302	1.595	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ncc1Br	ZINC000248749894	531082216	/nfs/dbraw/zinc/08/22/16/531082216.db2.gz	UCRGSLWGSDNWEW-YPMHNXCESA-N	1	1	383.290	1.936	10	0		GDAEMO
O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@H]1COCC[NH2+]1	ZINC000262643855	531126252	/nfs/dbraw/zinc/12/62/52/531126252.db2.gz	MIASBNDRUWZTKF-CMPLNLGQSA-N	1	1	378.782	1.437	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21	ZINC000284354557	531951345	/nfs/dbraw/zinc/95/13/45/531951345.db2.gz	AVDDBYBHUMOPMW-JKSUJKDBSA-N	1	1	391.896	1.561	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21	ZINC000284354557	531951355	/nfs/dbraw/zinc/95/13/55/531951355.db2.gz	AVDDBYBHUMOPMW-JKSUJKDBSA-N	1	1	391.896	1.561	10	0		GDAEMO
CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000077302584	211128854	/nfs/dbraw/zinc/12/88/54/211128854.db2.gz	PMLIJXXZFCRLES-CYBMUJFWSA-N	1	1	383.514	1.627	10	0	in-vitro	GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000077302584	211128858	/nfs/dbraw/zinc/12/88/58/211128858.db2.gz	PMLIJXXZFCRLES-CYBMUJFWSA-N	1	1	383.514	1.627	10	0	in-vitro	GDAEMO
CN(Cc1cccc(-n2cccn2)c1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C1CCCC1	ZINC000020209916	210320477	/nfs/dbraw/zinc/32/04/77/210320477.db2.gz	MANWALBXYNXFBR-HXUWFJFHSA-N	1	1	395.507	1.964	10	0		GDAEMO
COCCNc1nc2nonc2nc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC000019794502	210298103	/nfs/dbraw/zinc/29/81/03/210298103.db2.gz	WVKZEEGBXCKMAC-UHFFFAOYSA-N	1	1	399.455	1.272	10	0		GDAEMO
CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCC[NH2+]CCCN21	ZINC000004098772	560196145	/nfs/dbraw/zinc/19/61/45/560196145.db2.gz	KZZKPJBKEJKNAK-HUUJSLGLSA-N	1	1	381.561	1.567	10	0	in-vitro	GDAEMO
CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCC[N@H+]12	ZINC000004098772	560196146	/nfs/dbraw/zinc/19/61/46/560196146.db2.gz	KZZKPJBKEJKNAK-HUUJSLGLSA-N	1	1	381.561	1.567	10	0	in-vitro	GDAEMO
CCCCC[C@@H](O)[C@@H](O)[C@@H]1C=CC[C@H]2CC(=O)NCCCCNCCC[N@@H+]12	ZINC000004098772	560196148	/nfs/dbraw/zinc/19/61/48/560196148.db2.gz	KZZKPJBKEJKNAK-HUUJSLGLSA-N	1	1	381.561	1.567	10	0	in-vitro	GDAEMO
COCCN(C)c1cnn([C@@H]2CCC[N@@H+](CCc3csc(C)n3)C2)c(=O)c1	ZINC000583615150	570800040	/nfs/dbraw/zinc/80/00/40/570800040.db2.gz	LVDDKQBNRUHXNO-QGZVFWFLSA-N	1	1	391.541	1.970	10	0		GDAEMO
CCN1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(CCOC)[C@H]2c2cnn(C)c2C)[C@H](C)C1	ZINC000252537317	570991549	/nfs/dbraw/zinc/99/15/49/570991549.db2.gz	KYFPYKHWSYQFMN-ZWVMGRIOSA-N	1	1	391.560	1.584	10	0		GDAEMO
O=c1c(Br)nn(C[N@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc12	ZINC000124224448	644704978	/nfs/dbraw/zinc/70/49/78/644704978.db2.gz	CFNVYBQNPYTIFO-CYBMUJFWSA-N	1	1	393.285	1.523	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1C[C@H](C)O	ZINC000246985426	645097102	/nfs/dbraw/zinc/09/71/02/645097102.db2.gz	JBLKPHVAOCPWQD-AAEUAGOBSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1C[C@H](C)O	ZINC000246985426	645097108	/nfs/dbraw/zinc/09/71/08/645097108.db2.gz	JBLKPHVAOCPWQD-AAEUAGOBSA-N	1	1	399.289	1.086	10	0		GDAEMO
CCc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)CCOC)n3CC2)o1	ZINC000014880082	210128318	/nfs/dbraw/zinc/12/83/18/210128318.db2.gz	GXYKSXRUNCGPBK-CQSZACIVSA-N	1	1	375.473	1.706	10	0		GDAEMO
C[N@@H+]1CCO[C@@H](CNc2ncnc3ccc(I)cc32)C1	ZINC000174709004	530652776	/nfs/dbraw/zinc/65/27/76/530652776.db2.gz	PNUVHLBBVGGUGS-NSHDSACASA-N	1	1	384.221	1.977	10	0		GDAEMO
C[N@H+]1CCO[C@@H](CNc2ncnc3ccc(I)cc32)C1	ZINC000174709004	530652778	/nfs/dbraw/zinc/65/27/78/530652778.db2.gz	PNUVHLBBVGGUGS-NSHDSACASA-N	1	1	384.221	1.977	10	0		GDAEMO
O=C(c1cccn2c(I)cnc12)N1CC[N@H+]2CCC[C@H]2C1	ZINC000177200451	530698454	/nfs/dbraw/zinc/69/84/54/530698454.db2.gz	AZQZAYAFJIAWPY-NSHDSACASA-N	1	1	396.232	1.859	10	0		GDAEMO
O=C(Nc1cc(F)c(Br)c(F)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000180125271	530758780	/nfs/dbraw/zinc/75/87/80/530758780.db2.gz	KTCXZDCPWHWPHQ-SNVBAGLBSA-N	1	1	388.212	1.972	10	0		GDAEMO
C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccs1	ZINC000179722619	530748342	/nfs/dbraw/zinc/74/83/42/530748342.db2.gz	VZAQZXCZSUPLOY-AWEZNQCLSA-N	1	1	381.523	1.663	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(I)cc2)cn1	ZINC000181418772	530783093	/nfs/dbraw/zinc/78/30/93/530783093.db2.gz	HKCJALFUZAWFAK-CQSZACIVSA-N	1	1	396.232	1.811	10	0		GDAEMO
OC[C@H]1C[C@@H](O)C[N@H+]1CCCOc1cccc(I)c1	ZINC000185145541	530836965	/nfs/dbraw/zinc/83/69/65/530836965.db2.gz	VFLMIKOLLPLRKM-CHWSQXEVSA-N	1	1	377.222	1.488	10	0		GDAEMO
C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184724326	530831479	/nfs/dbraw/zinc/83/14/79/530831479.db2.gz	YXEPPGYAJQDEST-OASPWFOLSA-N	1	1	390.221	1.046	10	0		GDAEMO
C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184724326	530831481	/nfs/dbraw/zinc/83/14/81/530831481.db2.gz	YXEPPGYAJQDEST-OASPWFOLSA-N	1	1	390.221	1.046	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1	ZINC000184851832	530832403	/nfs/dbraw/zinc/83/24/03/530832403.db2.gz	IXIVSZIMYILHPS-CYBMUJFWSA-N	1	1	390.315	1.898	10	0		GDAEMO
CC[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@@H+]1C[C@@H](C)O	ZINC000106103157	530846965	/nfs/dbraw/zinc/84/69/65/530846965.db2.gz	YIWRWIPDFQCRBA-HIFRSBDPSA-N	1	1	376.469	1.960	10	0		GDAEMO
CC[C@H]1CN(Cc2ccc(S(=O)(=O)C(F)F)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000106103157	530846967	/nfs/dbraw/zinc/84/69/67/530846967.db2.gz	YIWRWIPDFQCRBA-HIFRSBDPSA-N	1	1	376.469	1.960	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(I)c[nH]2)CC1	ZINC000115373200	530899928	/nfs/dbraw/zinc/89/99/28/530899928.db2.gz	GXWKEVPMOBFUOY-NSHDSACASA-N	1	1	377.226	1.148	10	0		GDAEMO
CN(CCOc1ccc(Br)cc1)C(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1	ZINC000193619255	530990936	/nfs/dbraw/zinc/99/09/36/530990936.db2.gz	FJHWJHAQVYROLU-GASCZTMLSA-N	1	1	396.329	1.780	10	0		GDAEMO
COc1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)ccc1Br	ZINC000245413979	531056956	/nfs/dbraw/zinc/05/69/56/531056956.db2.gz	CMFVUSYEFXJHGD-NSHDSACASA-N	1	1	375.288	1.926	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000245532236	531057534	/nfs/dbraw/zinc/05/75/34/531057534.db2.gz	HXSSRAHYACNSGB-CHWSQXEVSA-N	1	1	397.324	1.747	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000245532236	531057536	/nfs/dbraw/zinc/05/75/36/531057536.db2.gz	HXSSRAHYACNSGB-CHWSQXEVSA-N	1	1	397.324	1.747	10	0		GDAEMO
CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCN(C(=O)c3cccs3)CC2)C1	ZINC000131644011	531073977	/nfs/dbraw/zinc/07/39/77/531073977.db2.gz	LHQQBUJWWYNVAF-OAHLLOKOSA-N	1	1	385.555	1.568	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000247522114	531075135	/nfs/dbraw/zinc/07/51/35/531075135.db2.gz	WWBAZUBHZAYXNI-JSGCOSHPSA-N	1	1	378.523	1.684	10	0		GDAEMO
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1	ZINC000248950439	531083504	/nfs/dbraw/zinc/08/35/04/531083504.db2.gz	ZSNWAXMJYLNKKJ-SWLSCSKDSA-N	1	1	379.507	1.646	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000246917672	531070667	/nfs/dbraw/zinc/07/06/67/531070667.db2.gz	AKDYLARHXXRUIZ-OFQRWUPVSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@H]2C1	ZINC000284983402	532015397	/nfs/dbraw/zinc/01/53/97/532015397.db2.gz	KNNKROPSHXNFPF-UONOGXRCSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@H]2C1	ZINC000284983402	532015402	/nfs/dbraw/zinc/01/54/02/532015402.db2.gz	KNNKROPSHXNFPF-UONOGXRCSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@@H]2C1	ZINC000285279696	532059518	/nfs/dbraw/zinc/05/95/18/532059518.db2.gz	ZWCNZSWDAMMXHI-CHWSQXEVSA-N	1	1	388.873	1.205	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)[C@@H]2C1	ZINC000285279696	532059526	/nfs/dbraw/zinc/05/95/26/532059526.db2.gz	ZWCNZSWDAMMXHI-CHWSQXEVSA-N	1	1	388.873	1.205	10	0		GDAEMO
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)C[N@@H+]1CC	ZINC000091468514	211192460	/nfs/dbraw/zinc/19/24/60/211192460.db2.gz	KHCVPEMONNSLRA-ROUUACIJSA-N	1	1	375.513	1.719	10	0		GDAEMO
CCNC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)C[N@H+]1CC	ZINC000091468514	211192464	/nfs/dbraw/zinc/19/24/64/211192464.db2.gz	KHCVPEMONNSLRA-ROUUACIJSA-N	1	1	375.513	1.719	10	0		GDAEMO
OC[C@H]1[C@@H](O)[C@H](O)[C@H](O)C[N@H+]1CCCCCOCC12CC3CC(CC(C3)C1)C2	ZINC000077270646	211129019	/nfs/dbraw/zinc/12/90/19/211129019.db2.gz	XVYLNHVEAOOEGI-DOBQBDTESA-N	1	1	397.556	1.149	10	0	in-vitro	GDAEMO
Cc1cccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)n1	ZINC000020452677	210336707	/nfs/dbraw/zinc/33/67/07/210336707.db2.gz	VAALGLAMHCQMEC-KRWDZBQOSA-N	1	1	392.529	1.286	10	0		GDAEMO
CC[NH+]1CCN(C(=O)Cn2nc(C)n3c(cc4c3cccc4OC)c2=O)CC1	ZINC000020384607	210330392	/nfs/dbraw/zinc/33/03/92/210330392.db2.gz	GIRIZFPHWDLOPW-UHFFFAOYSA-N	1	1	383.452	1.130	10	0		GDAEMO
O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](CC3CC3)C2)C(=O)N1Cc1ccccc1Cl	ZINC000225392741	560043775	/nfs/dbraw/zinc/04/37/75/560043775.db2.gz	FURCKISBXBBQJD-WBVHZDCISA-N	1	1	389.883	1.108	10	0	biogenic	GDAEMO
COCC[N@H+]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C[C@H]1C	ZINC000117321982	644650049	/nfs/dbraw/zinc/65/00/49/644650049.db2.gz	FNDMCITZQLZAAE-GFCCVEGCSA-N	1	1	385.559	1.799	10	0		GDAEMO
C[C@@H]1C[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C[C@H](C(N)=O)O1	ZINC000120286609	644669370	/nfs/dbraw/zinc/66/93/70/644669370.db2.gz	SYXDDCJAUQRWFP-QMTHXVAHSA-N	1	1	380.242	1.296	10	0		GDAEMO
O=C(NC[C@H]1CCc2[nH+]ccn2C1)c1nscc1I	ZINC000907560845	659783993	/nfs/dbraw/zinc/78/39/93/659783993.db2.gz	QLDHOABKZVTLOD-MRVPVSSYSA-N	1	1	388.234	1.937	10	0		GDAEMO
CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1	ZINC000170894103	530590821	/nfs/dbraw/zinc/59/08/21/530590821.db2.gz	VPSWOWSPOFLOOS-NSHDSACASA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000170894103	530590824	/nfs/dbraw/zinc/59/08/24/530590824.db2.gz	VPSWOWSPOFLOOS-NSHDSACASA-N	1	1	387.299	1.773	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@@H]1CC	ZINC000173790120	530636893	/nfs/dbraw/zinc/63/68/93/530636893.db2.gz	CHBUMBZYMNEFCM-ZDUSSCGKSA-N	1	1	386.290	1.710	10	0		GDAEMO
C[NH+]1CCN([C@H]2CCCCN(C(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1	ZINC000175985362	530675090	/nfs/dbraw/zinc/67/50/90/530675090.db2.gz	XZWVOYRNKQEMES-AWEZNQCLSA-N	1	1	397.317	1.380	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000176991898	530695704	/nfs/dbraw/zinc/69/57/04/530695704.db2.gz	DADVFYOTAHBVGE-LLVKDONJSA-N	1	1	379.935	1.623	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc3c(c(Br)c2)OCO3)cn1	ZINC000181337591	530781555	/nfs/dbraw/zinc/78/15/55/530781555.db2.gz	RIDOFPZADRGMAN-ZDUSSCGKSA-N	1	1	393.241	1.698	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2ccc(Br)cc2F)cn1	ZINC000181356942	530782226	/nfs/dbraw/zinc/78/22/26/530782226.db2.gz	ZMWYXVMIBKDJJO-AWEZNQCLSA-N	1	1	397.248	1.874	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(I)c2)CC1	ZINC000106395573	530847793	/nfs/dbraw/zinc/84/77/93/530847793.db2.gz	AIKXNCGEDVLGQU-CQSZACIVSA-N	1	1	388.249	1.820	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)C1	ZINC000107252325	530853197	/nfs/dbraw/zinc/85/31/97/530853197.db2.gz	YZDJQAWKHFIAKL-HOCLYGCPSA-N	1	1	378.344	1.824	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C	ZINC000117425010	530912978	/nfs/dbraw/zinc/91/29/78/530912978.db2.gz	HVPKOUULIDUDAI-ZDUSSCGKSA-N	1	1	398.301	1.358	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@@H]1C	ZINC000117425010	530912979	/nfs/dbraw/zinc/91/29/79/530912979.db2.gz	HVPKOUULIDUDAI-ZDUSSCGKSA-N	1	1	398.301	1.358	10	0		GDAEMO
CCC[C@@H](C)CS(=O)(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372921	530913014	/nfs/dbraw/zinc/91/30/14/530913014.db2.gz	PHGGBVTYBNJKFI-QZTJIDSGSA-N	1	1	375.579	1.479	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1	ZINC000189451351	530913248	/nfs/dbraw/zinc/91/32/48/530913248.db2.gz	XWVFBSFWCOMZHV-ZDUSSCGKSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)c2)CC1	ZINC000189470097	530914124	/nfs/dbraw/zinc/91/41/24/530914124.db2.gz	IKZHBZRFMOMITR-CQSZACIVSA-N	1	1	398.301	1.611	10	0		GDAEMO
O=C(CSCc1cscn1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000124911256	531001214	/nfs/dbraw/zinc/00/12/14/531001214.db2.gz	FRBSWKVTQUNHQQ-KRWDZBQOSA-N	1	1	377.535	1.912	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl	ZINC000245911524	531061468	/nfs/dbraw/zinc/06/14/68/531061468.db2.gz	DNDDENOTAQNEKS-JSGCOSHPSA-N	1	1	385.917	1.899	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)s1	ZINC000246232743	531065012	/nfs/dbraw/zinc/06/50/12/531065012.db2.gz	RRAROWLDAJAHEJ-TZMCWYRMSA-N	1	1	388.559	1.363	10	0		GDAEMO
O=C1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@@H]2N1	ZINC000246562631	531068120	/nfs/dbraw/zinc/06/81/20/531068120.db2.gz	KSJFVIVKYVJPDT-CWRNSKLLSA-N	1	1	383.286	1.932	10	0		GDAEMO
O=C1C[N@H+](C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@@H]2N1	ZINC000246562631	531068121	/nfs/dbraw/zinc/06/81/21/531068121.db2.gz	KSJFVIVKYVJPDT-CWRNSKLLSA-N	1	1	383.286	1.932	10	0		GDAEMO
CCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)cn1	ZINC000132055925	531077575	/nfs/dbraw/zinc/07/75/75/531077575.db2.gz	XCDXBDWLIWBWHA-INIZCTEOSA-N	1	1	383.587	1.969	10	0		GDAEMO
CCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3CSCCS3)CC2)cn1	ZINC000132055925	531077581	/nfs/dbraw/zinc/07/75/81/531077581.db2.gz	XCDXBDWLIWBWHA-INIZCTEOSA-N	1	1	383.587	1.969	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cccnc1Br	ZINC000249161718	531084551	/nfs/dbraw/zinc/08/45/51/531084551.db2.gz	JIWVRBKPGQUJMM-NEPJUHHUSA-N	1	1	381.274	1.868	10	0		GDAEMO
C[C@H](C(=O)Nc1ccc(I)cc1)[N@@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249377446	531086159	/nfs/dbraw/zinc/08/61/59/531086159.db2.gz	YXEPPGYAJQDEST-WQAKAFBOSA-N	1	1	390.221	1.046	10	0		GDAEMO
C[C@H](C(=O)Nc1ccc(I)cc1)[N@H+]1C[C@@H](O)C[C@@H]1CO	ZINC000249377446	531086163	/nfs/dbraw/zinc/08/61/63/531086163.db2.gz	YXEPPGYAJQDEST-WQAKAFBOSA-N	1	1	390.221	1.046	10	0		GDAEMO
O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(Br)c1	ZINC000249746662	531088653	/nfs/dbraw/zinc/08/86/53/531088653.db2.gz	NBKAGJRBTMRVQC-HOCLYGCPSA-N	1	1	383.286	1.932	10	0		GDAEMO
CC[N@@H+]1CCO[C@H](CNC(=O)c2csc(I)c2)C1	ZINC000134688988	531102854	/nfs/dbraw/zinc/10/28/54/531102854.db2.gz	YKVNXFYFFKJWJG-SNVBAGLBSA-N	1	1	380.251	1.803	10	0		GDAEMO
CC[N@H+]1CCO[C@H](CNC(=O)c2csc(I)c2)C1	ZINC000134688988	531102858	/nfs/dbraw/zinc/10/28/58/531102858.db2.gz	YKVNXFYFFKJWJG-SNVBAGLBSA-N	1	1	380.251	1.803	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1	ZINC000131314916	531069920	/nfs/dbraw/zinc/06/99/20/531069920.db2.gz	DPZKPLXDNSYXSJ-AWEZNQCLSA-N	1	1	388.559	1.461	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000153929632	531174229	/nfs/dbraw/zinc/17/42/29/531174229.db2.gz	XOTBNPKWXWROCR-JTQLQIEISA-N	1	1	377.869	1.683	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@@H]2C1	ZINC000284356277	531951711	/nfs/dbraw/zinc/95/17/11/531951711.db2.gz	AXJPWRXXEAORBJ-TZMCWYRMSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@@H]2C1	ZINC000284356277	531951715	/nfs/dbraw/zinc/95/17/15/531951715.db2.gz	AXJPWRXXEAORBJ-TZMCWYRMSA-N	1	1	380.388	1.521	10	0		GDAEMO
CS(=O)(=O)Nc1ccc([C@@H](O)CN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000033903241	209244768	/nfs/dbraw/zinc/24/47/68/209244768.db2.gz	MXVFGNOLZDAKQJ-SFHVURJKSA-N	1	1	376.482	1.309	10	0		GDAEMO
CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1C	ZINC000328654161	209152744	/nfs/dbraw/zinc/15/27/44/209152744.db2.gz	XGUNIGPYEBVGEA-RDJZCZTQSA-N	1	1	396.557	1.583	10	0		GDAEMO
CNC(=O)c1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)COC2CCOCC2)n1C	ZINC000328624184	209148012	/nfs/dbraw/zinc/14/80/12/209148012.db2.gz	CFZQHDJPZWKQFK-CRAIPNDOSA-N	1	1	379.501	1.468	10	0		GDAEMO
COc1ccc(-n2ccnc2CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1	ZINC000095353157	211221904	/nfs/dbraw/zinc/22/19/04/211221904.db2.gz	BPTASKUUQDEKRB-NRFANRHFSA-N	1	1	383.496	1.667	10	0		GDAEMO
CN(C(=O)C[C@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)C(C1CC1)C1CC1	ZINC000020999477	210374781	/nfs/dbraw/zinc/37/47/81/210374781.db2.gz	YRMYYYXAISFCDY-FQEVSTJZSA-N	1	1	381.520	1.991	10	0		GDAEMO
CN(C(=O)C[C@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)C(C1CC1)C1CC1	ZINC000020999477	210374783	/nfs/dbraw/zinc/37/47/83/210374783.db2.gz	YRMYYYXAISFCDY-FQEVSTJZSA-N	1	1	381.520	1.991	10	0		GDAEMO
COc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c(OC)c1C	ZINC000020203805	210321172	/nfs/dbraw/zinc/32/11/72/210321172.db2.gz	BFHBWEHIUZOWNJ-FQEVSTJZSA-N	1	1	391.556	1.975	10	0		GDAEMO
COc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](CCO)C2)c(OC)c1C	ZINC000020203805	210321177	/nfs/dbraw/zinc/32/11/77/210321177.db2.gz	BFHBWEHIUZOWNJ-FQEVSTJZSA-N	1	1	391.556	1.975	10	0		GDAEMO
CNC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)o2)C[C@H]1c1nc(COC)no1	ZINC000169791180	644869112	/nfs/dbraw/zinc/86/91/12/644869112.db2.gz	RBOPUCWRJLLJBH-GHMZBOCLSA-N	1	1	399.245	1.533	10	0		GDAEMO
CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)o2)C[C@H]1c1nc(COC)no1	ZINC000169791180	644869118	/nfs/dbraw/zinc/86/91/18/644869118.db2.gz	RBOPUCWRJLLJBH-GHMZBOCLSA-N	1	1	399.245	1.533	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1	ZINC000175944846	644907748	/nfs/dbraw/zinc/90/77/48/644907748.db2.gz	HEHXJFDCGYPHDA-LBPRGKRZSA-N	1	1	386.440	1.084	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@@H+]1CCOC[C@H]1C	ZINC000301437187	645235115	/nfs/dbraw/zinc/23/51/15/645235115.db2.gz	MYGOXAJKRWOHMU-WDEREUQCSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)c(C(F)(F)F)c1)[N@H+]1CCOC[C@H]1C	ZINC000301437187	645235120	/nfs/dbraw/zinc/23/51/20/645235120.db2.gz	MYGOXAJKRWOHMU-WDEREUQCSA-N	1	1	381.420	1.874	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000173828430	530638529	/nfs/dbraw/zinc/63/85/29/530638529.db2.gz	ZZOVYNFNLJHQIG-HZPDHXFCSA-N	1	1	386.539	1.479	10	0		GDAEMO
CCCCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1cccc(Cl)c1	ZINC000046141033	530649786	/nfs/dbraw/zinc/64/97/86/530649786.db2.gz	NOGONLIDJCCQOF-UHFFFAOYSA-N	1	1	387.933	1.817	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(=O)(=O)NC)ccc1Cl	ZINC000174986858	530657400	/nfs/dbraw/zinc/65/74/00/530657400.db2.gz	KICHULWCCZCGSQ-QWHCGFSZSA-N	1	1	385.917	1.947	10	0		GDAEMO
COc1nc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)ncc1Br	ZINC000176250217	530680083	/nfs/dbraw/zinc/68/00/83/530680083.db2.gz	VQJFNNXOSOVSOF-UHFFFAOYSA-N	1	1	381.278	1.694	10	0		GDAEMO
COc1nc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)ncc1Br	ZINC000176250217	530680086	/nfs/dbraw/zinc/68/00/86/530680086.db2.gz	VQJFNNXOSOVSOF-UHFFFAOYSA-N	1	1	381.278	1.694	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000177006593	530695138	/nfs/dbraw/zinc/69/51/38/530695138.db2.gz	CHXHNBUOTCSBOF-ZFWWWQNUSA-N	1	1	387.933	1.950	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1N1CCOCC1	ZINC000177236291	530699112	/nfs/dbraw/zinc/69/91/12/530699112.db2.gz	NHXYSDGTPUYIIT-HFTRVMKXSA-N	1	1	399.329	1.841	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1	ZINC000179822421	530751486	/nfs/dbraw/zinc/75/14/86/530751486.db2.gz	CKRAPUQTEWYWHC-LBPRGKRZSA-N	1	1	399.289	1.029	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cnc1Br	ZINC000182817389	530805161	/nfs/dbraw/zinc/80/51/61/530805161.db2.gz	MUYXFNNZEGYXMS-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cnc1Br	ZINC000182817389	530805164	/nfs/dbraw/zinc/80/51/64/530805164.db2.gz	MUYXFNNZEGYXMS-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1C	ZINC000117288235	530911567	/nfs/dbraw/zinc/91/15/67/530911567.db2.gz	XJQNJBKGDJHLKF-LBPRGKRZSA-N	1	1	385.306	1.703	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)c2cc(Br)cnc2N(C)C)C[C@@H]1C	ZINC000117288235	530911570	/nfs/dbraw/zinc/91/15/70/530911570.db2.gz	XJQNJBKGDJHLKF-LBPRGKRZSA-N	1	1	385.306	1.703	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000113227760	530887492	/nfs/dbraw/zinc/88/74/92/530887492.db2.gz	WWBAZUBHZAYXNI-GXTWGEPZSA-N	1	1	378.523	1.684	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cncc(Br)c1	ZINC000190357174	530928986	/nfs/dbraw/zinc/92/89/86/530928986.db2.gz	BHGJHRYPPULNPW-ZIAGYGMSSA-N	1	1	381.274	1.868	10	0		GDAEMO
CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cc(OC)ccc2Br)C1	ZINC000195481810	531025201	/nfs/dbraw/zinc/02/52/01/531025201.db2.gz	MHNNHEPAPDXUOY-NSHDSACASA-N	1	1	384.274	1.997	10	0		GDAEMO
C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1N1CCOCC1	ZINC000246431448	531066459	/nfs/dbraw/zinc/06/64/59/531066459.db2.gz	LHZRWJJHKLFGPU-GXTWGEPZSA-N	1	1	383.290	1.435	10	0		GDAEMO
C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1N1CCOCC1	ZINC000246431448	531066462	/nfs/dbraw/zinc/06/64/62/531066462.db2.gz	LHZRWJJHKLFGPU-GXTWGEPZSA-N	1	1	383.290	1.435	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1	ZINC000245524899	531057096	/nfs/dbraw/zinc/05/70/96/531057096.db2.gz	AZROLGGKTNJJTI-XOKHGSTOSA-N	1	1	390.933	1.792	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000245431278	531057522	/nfs/dbraw/zinc/05/75/22/531057522.db2.gz	MVMPVUNSGWLLCU-LSDHHAIUSA-N	1	1	385.555	1.844	10	0		GDAEMO
CCS(=O)(=O)NCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245714449	531059516	/nfs/dbraw/zinc/05/95/16/531059516.db2.gz	PVNCEKAKQACZPG-WBMJQRKESA-N	1	1	391.896	1.527	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CSCc1cc(=O)n2ccsc2n1	ZINC000247522121	531075640	/nfs/dbraw/zinc/07/56/40/531075640.db2.gz	WWBAZUBHZAYXNI-OCCSQVGLSA-N	1	1	378.523	1.684	10	0		GDAEMO
COCC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H](C)C(N)=O	ZINC000247607149	531076110	/nfs/dbraw/zinc/07/61/10/531076110.db2.gz	LVUJMRTXHWBOKN-WCQYABFASA-N	1	1	375.263	1.011	10	0		GDAEMO
COCC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@@H](C)C(N)=O	ZINC000247607149	531076112	/nfs/dbraw/zinc/07/61/12/531076112.db2.gz	LVUJMRTXHWBOKN-WCQYABFASA-N	1	1	375.263	1.011	10	0		GDAEMO
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1	ZINC000248950437	531083372	/nfs/dbraw/zinc/08/33/72/531083372.db2.gz	ZSNWAXMJYLNKKJ-IUODEOHRSA-N	1	1	379.507	1.646	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(Br)n1	ZINC000249128425	531084820	/nfs/dbraw/zinc/08/48/20/531084820.db2.gz	CQTFKJIRARMFET-NEPJUHHUSA-N	1	1	381.274	1.786	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C	ZINC000252352609	531090697	/nfs/dbraw/zinc/09/06/97/531090697.db2.gz	MFTZTMUQYNQKDJ-GJZGRUSLSA-N	1	1	398.345	1.794	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000246917655	531070449	/nfs/dbraw/zinc/07/04/49/531070449.db2.gz	AKDYLARHXXRUIZ-IJEWVQPXSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C	ZINC000246889377	531070715	/nfs/dbraw/zinc/07/07/15/531070715.db2.gz	XCXJXSRBDKVIJU-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(I)cc2)C[C@@H]1C	ZINC000246889377	531070719	/nfs/dbraw/zinc/07/07/19/531070719.db2.gz	XCXJXSRBDKVIJU-RYUDHWBXSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	ZINC000247077037	531072156	/nfs/dbraw/zinc/07/21/56/531072156.db2.gz	HRRPMUDDQOGFGE-STQMWFEESA-N	1	1	385.917	1.899	10	0		GDAEMO
CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)[C@@H](C)C1	ZINC000154190419	531179423	/nfs/dbraw/zinc/17/94/23/531179423.db2.gz	FSLDLSCMLDROON-ZANVPECISA-N	1	1	377.869	1.585	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@@H+]1C[C@@H](C)O	ZINC000154375528	531182706	/nfs/dbraw/zinc/18/27/06/531182706.db2.gz	KWPHKFKLWYFLPS-BXUZGUMPSA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cncc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000154375528	531182708	/nfs/dbraw/zinc/18/27/08/531182708.db2.gz	KWPHKFKLWYFLPS-BXUZGUMPSA-N	1	1	399.289	1.086	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)cc1	ZINC000154933471	531192157	/nfs/dbraw/zinc/19/21/57/531192157.db2.gz	OCMSIHLAVRMXRH-IUODEOHRSA-N	1	1	380.286	1.874	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000155917161	531203615	/nfs/dbraw/zinc/20/36/15/531203615.db2.gz	XZBGWJRKWQHNFK-VHSXEESVSA-N	1	1	375.853	1.435	10	0		GDAEMO
O=C(NCc1ccc(S(=O)(=O)N2CC[NH2+]CC2)s1)c1ccc(Cl)cc1	ZINC000013586788	209235320	/nfs/dbraw/zinc/23/53/20/209235320.db2.gz	HRENJJAUOQBRJD-UHFFFAOYSA-N	1	1	399.925	1.925	10	0		GDAEMO
Nc1[nH+]cnc2c1c(-c1ccc3ccccc3c1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000072106049	222205174	/nfs/dbraw/zinc/20/51/74/222205174.db2.gz	ZDGHYAZTACNBCQ-QTQZEZTPSA-N	1	1	392.415	1.445	10	0		GDAEMO
Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)c1	ZINC000033032724	570669488	/nfs/dbraw/zinc/66/94/88/570669488.db2.gz	GKOCAURQBQTEIH-LJQANCHMSA-N	1	1	386.540	1.743	10	0		GDAEMO
Cc1cccc(C(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CCNCC2)c1	ZINC000033032724	570669493	/nfs/dbraw/zinc/66/94/93/570669493.db2.gz	GKOCAURQBQTEIH-LJQANCHMSA-N	1	1	386.540	1.743	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1C[C@@H](C)O	ZINC000174638685	530651632	/nfs/dbraw/zinc/65/16/32/530651632.db2.gz	TWTAKQLVNGYUKD-ZYHUDNBSSA-N	1	1	391.253	1.537	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000175430475	530665714	/nfs/dbraw/zinc/66/57/14/530665714.db2.gz	XNPTVPZYPBKSQX-GFCCVEGCSA-N	1	1	395.257	1.968	10	0		GDAEMO
Cn1cc[nH+]c1CC1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)CC1	ZINC000178621845	530723930	/nfs/dbraw/zinc/72/39/30/530723930.db2.gz	LDASIMZNVODSRC-UHFFFAOYSA-N	1	1	379.258	1.966	10	0		GDAEMO
OC[C@H]1C[C@H](O)C[N@H+]1CCCOc1cccc(I)c1	ZINC000185145563	530837163	/nfs/dbraw/zinc/83/71/63/530837163.db2.gz	VFLMIKOLLPLRKM-OLZOCXBDSA-N	1	1	377.222	1.488	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000113233586	530887591	/nfs/dbraw/zinc/88/75/91/530887591.db2.gz	VBDPDXZURSSPCM-UKRRQHHQSA-N	1	1	385.917	1.656	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000113444865	530890210	/nfs/dbraw/zinc/89/02/10/530890210.db2.gz	LEXHDPMLGADMBM-IUODEOHRSA-N	1	1	380.286	1.874	10	0		GDAEMO
CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)CC1	ZINC000119673681	530929460	/nfs/dbraw/zinc/92/94/60/530929460.db2.gz	CSUJZLGDYDWIPP-ZDUSSCGKSA-N	1	1	397.317	1.710	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C	ZINC000117425007	530912719	/nfs/dbraw/zinc/91/27/19/530912719.db2.gz	HVPKOUULIDUDAI-CYBMUJFWSA-N	1	1	398.301	1.358	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)CNC(=O)c2cccc(Br)c2)C[C@H]1C	ZINC000117425007	530912722	/nfs/dbraw/zinc/91/27/22/530912722.db2.gz	HVPKOUULIDUDAI-CYBMUJFWSA-N	1	1	398.301	1.358	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cnc1Br	ZINC000190110636	530925444	/nfs/dbraw/zinc/92/54/44/530925444.db2.gz	MGINJTWSFOXDHM-WCQYABFASA-N	1	1	381.274	1.786	10	0		GDAEMO
C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC[C@H]21	ZINC000245901589	531061477	/nfs/dbraw/zinc/06/14/77/531061477.db2.gz	UFWXTWWJNLSQMB-IINYFYTJSA-N	1	1	389.880	1.683	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(I)c2)C[C@H]1C	ZINC000246681236	531068842	/nfs/dbraw/zinc/06/88/42/531068842.db2.gz	ISKOGOLZGRCJTI-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(I)c2)C[C@H]1C	ZINC000246681236	531068846	/nfs/dbraw/zinc/06/88/46/531068846.db2.gz	ISKOGOLZGRCJTI-NEPJUHHUSA-N	1	1	388.249	1.818	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000247411666	531074275	/nfs/dbraw/zinc/07/42/75/531074275.db2.gz	QEAWRPQRXDNMKS-HIFRSBDPSA-N	1	1	385.917	1.992	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@H]1CN1CCOCC1	ZINC000247555557	531075483	/nfs/dbraw/zinc/07/54/83/531075483.db2.gz	QIQWVVWFXWEGJE-DLBZAZTESA-N	1	1	399.329	1.985	10	0		GDAEMO
C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(Br)nn2C)C[C@@H](C)O1	ZINC000248733444	531081742	/nfs/dbraw/zinc/08/17/42/531081742.db2.gz	BHZZLJGYLFWGEC-JHJVBQTASA-N	1	1	385.306	1.896	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C	ZINC000247200358	531073016	/nfs/dbraw/zinc/07/30/16/531073016.db2.gz	XDBRTQRRQLBVTD-UWVGGRQHSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(F)c(F)cc2Cl)C[C@@H]1C	ZINC000247200358	531073018	/nfs/dbraw/zinc/07/30/18/531073018.db2.gz	XDBRTQRRQLBVTD-UWVGGRQHSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000151311689	531136291	/nfs/dbraw/zinc/13/62/91/531136291.db2.gz	OWCUKRYHYWKHJU-WCQYABFASA-N	1	1	394.273	1.991	10	0		GDAEMO
C[N@H+]1CCO[C@@H]2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)C[C@@H]21	ZINC000408028758	531211804	/nfs/dbraw/zinc/21/18/04/531211804.db2.gz	VAFZJMHUVXDGLK-QWHCGFSZSA-N	1	1	379.404	1.262	10	0		GDAEMO
CC[N@H+]1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14	ZINC000095914947	211282623	/nfs/dbraw/zinc/28/26/23/211282623.db2.gz	NGWMZXLZSGJSRI-VHNKBEDGSA-N	1	1	391.552	1.905	10	0	biogenic,in-vitro	GDAEMO
CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1cn(CCO)nc1C)CC2	ZINC000095506453	211258016	/nfs/dbraw/zinc/25/80/16/211258016.db2.gz	KKGSYNPHSWNYSK-UHFFFAOYSA-N	1	1	386.500	1.193	10	0		GDAEMO
CCc1ccc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)COC)nc1	ZINC000092097509	211215808	/nfs/dbraw/zinc/21/58/08/211215808.db2.gz	SKFDYFDMLWIIAZ-UHFFFAOYSA-N	1	1	383.496	1.890	10	0		GDAEMO
CCN1CC[NH+](CCCNC(=O)[C@@H](C)N2c3ccccc3CCCC2=O)CC1	ZINC000033249666	570857023	/nfs/dbraw/zinc/85/70/23/570857023.db2.gz	RPDGMSKKYWJETB-GOSISDBHSA-N	1	1	386.540	1.888	10	0		GDAEMO
COCC[N@H+]1CCN(Cn2nc(N(C(C)=O)C3CC3)sc2=S)C[C@@H]1C	ZINC000117321985	644650100	/nfs/dbraw/zinc/65/01/00/644650100.db2.gz	FNDMCITZQLZAAE-LBPRGKRZSA-N	1	1	385.559	1.799	10	0		GDAEMO
COCC[N@@H+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C[C@H]1C	ZINC000124174918	644704293	/nfs/dbraw/zinc/70/42/93/644704293.db2.gz	VLUVQOIYIGWXFW-CYBMUJFWSA-N	1	1	395.301	1.769	10	0		GDAEMO
COCC[N@H+]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C[C@H]1C	ZINC000124174918	644704296	/nfs/dbraw/zinc/70/42/96/644704296.db2.gz	VLUVQOIYIGWXFW-CYBMUJFWSA-N	1	1	395.301	1.769	10	0		GDAEMO
S=c1n(CN2CC[C@H]([NH+]3CCOCC3)C2)nnn1-c1ccc(Cl)cc1	ZINC000172961649	644886108	/nfs/dbraw/zinc/88/61/08/644886108.db2.gz	PUNQBXFWYFTEJZ-HNNXBMFYSA-N	1	1	380.905	1.816	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cncc(Br)c1	ZINC000159231819	530541757	/nfs/dbraw/zinc/54/17/57/530541757.db2.gz	HJJDMDCDNVZOMN-KRWDZBQOSA-N	1	1	390.281	1.993	10	0		GDAEMO
COC(=O)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)c1cccc(Br)c1	ZINC000174743913	530654030	/nfs/dbraw/zinc/65/40/30/530654030.db2.gz	QBHNZKFORUPTKP-UONOGXRCSA-N	1	1	385.258	1.500	10	0		GDAEMO
COC(=O)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccc(Br)c1	ZINC000174743913	530654034	/nfs/dbraw/zinc/65/40/34/530654034.db2.gz	QBHNZKFORUPTKP-UONOGXRCSA-N	1	1	385.258	1.500	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000176991446	530695241	/nfs/dbraw/zinc/69/52/41/530695241.db2.gz	MVMPVUNSGWLLCU-CABCVRRESA-N	1	1	385.555	1.844	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(Br)o1	ZINC000177613936	530707055	/nfs/dbraw/zinc/70/70/55/530707055.db2.gz	QZORWQKJULUMRX-SECBINFHSA-N	1	1	393.259	1.297	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(Br)o1	ZINC000177613936	530707058	/nfs/dbraw/zinc/70/70/58/530707058.db2.gz	QZORWQKJULUMRX-SECBINFHSA-N	1	1	393.259	1.297	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2COc3ccc(Br)cc32)cn1	ZINC000181438120	530783616	/nfs/dbraw/zinc/78/36/16/530783616.db2.gz	SNQOPGPNUHIUGD-HUUCEWRRSA-N	1	1	391.269	1.832	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1	ZINC000181997813	530793548	/nfs/dbraw/zinc/79/35/48/530793548.db2.gz	CXQYXQYTZUTBDB-CYBMUJFWSA-N	1	1	391.299	1.865	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C	ZINC000190597232	530933502	/nfs/dbraw/zinc/93/35/02/530933502.db2.gz	KPSIESFVXZFNAG-NXEZZACHSA-N	1	1	392.258	1.985	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H]1C	ZINC000190597232	530933505	/nfs/dbraw/zinc/93/35/05/530933505.db2.gz	KPSIESFVXZFNAG-NXEZZACHSA-N	1	1	392.258	1.985	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)cc2C)CC1	ZINC000189450997	530913351	/nfs/dbraw/zinc/91/33/51/530913351.db2.gz	UWVDCLIRYUIOOR-AWEZNQCLSA-N	1	1	398.301	1.611	10	0		GDAEMO
O=S(=O)([C@H]1CC[N@@H+](CCOCC(F)(F)C(F)(F)F)C1)N1CCCC1	ZINC000189575422	530916921	/nfs/dbraw/zinc/91/69/21/530916921.db2.gz	LKCPWWHCVQZFFF-NSHDSACASA-N	1	1	380.379	1.701	10	0		GDAEMO
O=S(=O)([C@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1)N1CCCC1	ZINC000189575422	530916922	/nfs/dbraw/zinc/91/69/22/530916922.db2.gz	LKCPWWHCVQZFFF-NSHDSACASA-N	1	1	380.379	1.701	10	0		GDAEMO
O=C1[C@@H]([N@@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000192073713	530960800	/nfs/dbraw/zinc/96/08/00/530960800.db2.gz	AQDUQUKFKKFOKE-IRXDYDNUSA-N	1	1	394.313	1.961	10	0		GDAEMO
O=C1[C@@H]([N@H+]2CC[C@H](N3CCOCC3)C2)CCN1c1cccc(Br)c1	ZINC000192073713	530960801	/nfs/dbraw/zinc/96/08/01/530960801.db2.gz	AQDUQUKFKKFOKE-IRXDYDNUSA-N	1	1	394.313	1.961	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(S(=O)(=O)CCOC(C)C)C1	ZINC000192932733	530976598	/nfs/dbraw/zinc/97/65/98/530976598.db2.gz	DTJXUQIJNHLWPS-HNNXBMFYSA-N	1	1	375.560	1.960	10	0		GDAEMO
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCNS(=O)(=O)c1cccs1	ZINC000124332729	530994597	/nfs/dbraw/zinc/99/45/97/530994597.db2.gz	NZHFGDMBUCRZMT-CQSZACIVSA-N	1	1	388.559	1.446	10	0		GDAEMO
C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccnc3Br)CC[C@H]21	ZINC000245937819	531061826	/nfs/dbraw/zinc/06/18/26/531061826.db2.gz	AFZMTFAMLGYPEE-WCQYABFASA-N	1	1	381.274	1.725	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000246356900	531066269	/nfs/dbraw/zinc/06/62/69/531066269.db2.gz	MZUGDYNMWYUMRC-KBPBESRZSA-N	1	1	386.543	1.247	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000245532240	531057121	/nfs/dbraw/zinc/05/71/21/531057121.db2.gz	HXSSRAHYACNSGB-OLZOCXBDSA-N	1	1	397.324	1.747	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1	ZINC000245532240	531057125	/nfs/dbraw/zinc/05/71/25/531057125.db2.gz	HXSSRAHYACNSGB-OLZOCXBDSA-N	1	1	397.324	1.747	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CCNS(=O)(=O)c2ccccc2Cl)C1	ZINC000247447238	531074348	/nfs/dbraw/zinc/07/43/48/531074348.db2.gz	SLFKBTBUPMVAQO-DZGCQCFKSA-N	1	1	387.933	1.853	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775731	531076589	/nfs/dbraw/zinc/07/65/89/531076589.db2.gz	QMVRYEWNBUGVQF-DZKIICNBSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775731	531076592	/nfs/dbraw/zinc/07/65/92/531076592.db2.gz	QMVRYEWNBUGVQF-DZKIICNBSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775731	531076595	/nfs/dbraw/zinc/07/65/95/531076595.db2.gz	QMVRYEWNBUGVQF-DZKIICNBSA-N	1	1	387.318	1.576	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(Br)cn1	ZINC000248748203	531081829	/nfs/dbraw/zinc/08/18/29/531081829.db2.gz	STNPOHKAGHLORN-STQMWFEESA-N	1	1	381.274	1.868	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000246965831	531071234	/nfs/dbraw/zinc/07/12/34/531071234.db2.gz	BURHWTYRIWYJAJ-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000246965831	531071236	/nfs/dbraw/zinc/07/12/36/531071236.db2.gz	BURHWTYRIWYJAJ-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000246965831	531071239	/nfs/dbraw/zinc/07/12/39/531071239.db2.gz	BURHWTYRIWYJAJ-GOEBONIOSA-N	1	1	387.318	1.841	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1C[C@H](C)O	ZINC000246968326	531071442	/nfs/dbraw/zinc/07/14/42/531071442.db2.gz	TWTAKQLVNGYUKD-CMPLNLGQSA-N	1	1	391.253	1.537	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)o1	ZINC000247133069	531072959	/nfs/dbraw/zinc/07/29/59/531072959.db2.gz	SKOINKMBVJQDLO-NEPJUHHUSA-N	1	1	384.274	1.857	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CC[N@H+](C)C[C@H]43)cc(Cl)c2O1	ZINC000285249729	532055054	/nfs/dbraw/zinc/05/50/54/532055054.db2.gz	YFRWUUFFSHMRRF-HFBAOOFYSA-N	1	1	386.901	1.757	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)cc(Cl)c2O1	ZINC000285249729	532055060	/nfs/dbraw/zinc/05/50/60/532055060.db2.gz	YFRWUUFFSHMRRF-HFBAOOFYSA-N	1	1	386.901	1.757	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cc(N)n[nH]2)C[N@H+]1C1CCCCC1	ZINC000095507831	222340465	/nfs/dbraw/zinc/34/04/65/222340465.db2.gz	KTIXTSNDPWZUCQ-CJNGLKHVSA-N	1	1	376.505	1.366	10	0		GDAEMO
CC(=O)N1CSC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000253203131	645105331	/nfs/dbraw/zinc/10/53/31/645105331.db2.gz	FHHLELXTOQPYSY-LSDHHAIUSA-N	1	1	382.555	1.653	10	0		GDAEMO
O=C([C@H]1CC[NH2+]CC1(F)F)N1CCC(NS(=O)(=O)c2cccs2)CC1	ZINC000580828248	651941944	/nfs/dbraw/zinc/94/19/44/651941944.db2.gz	VLGRIDACFCRIEX-GFCCVEGCSA-N	1	1	393.481	1.262	10	0		GDAEMO
[NH3+]C1(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)CC[NH+](Cc2ccccc2)CC1	ZINC000686816077	976119046	/nfs/dbraw/zinc/11/90/46/976119046.db2.gz	VHRPVTPWLXFQTR-QGZVFWFLSA-N	1	1	375.469	1.072	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)s1	ZINC000159306557	530542388	/nfs/dbraw/zinc/54/23/88/530542388.db2.gz	RRAROWLDAJAHEJ-GXTWGEPZSA-N	1	1	388.559	1.363	10	0		GDAEMO
CN1CCO[C@@H](CNC(=O)c2cc(I)ccc2[O-])C1	ZINC000171289297	530597017	/nfs/dbraw/zinc/59/70/17/530597017.db2.gz	GNELWMVOKJKHBH-JTQLQIEISA-N	1	1	376.194	1.057	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000177207728	530699085	/nfs/dbraw/zinc/69/90/85/530699085.db2.gz	YYABCYVTLHPFKM-LBPRGKRZSA-N	1	1	390.245	1.697	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)C1	ZINC000179453060	530740952	/nfs/dbraw/zinc/74/09/52/530740952.db2.gz	LYZCKENXURHQAM-JKSUJKDBSA-N	1	1	376.906	1.231	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cnc1Br	ZINC000182817412	530805222	/nfs/dbraw/zinc/80/52/22/530805222.db2.gz	MUYXFNNZEGYXMS-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cnc1Br	ZINC000182817412	530805226	/nfs/dbraw/zinc/80/52/26/530805226.db2.gz	MUYXFNNZEGYXMS-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1	ZINC000190572433	530933685	/nfs/dbraw/zinc/93/36/85/530933685.db2.gz	VITUJTWFIOTPTG-AWEZNQCLSA-N	1	1	387.571	1.945	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CS(=O)(=O)C(C)(C)C)C1	ZINC000190572433	530933687	/nfs/dbraw/zinc/93/36/87/530933687.db2.gz	VITUJTWFIOTPTG-AWEZNQCLSA-N	1	1	387.571	1.945	10	0		GDAEMO
Cc1csc([C@H]2CCC[N@@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)n1	ZINC000195338058	531021442	/nfs/dbraw/zinc/02/14/42/531021442.db2.gz	JCIFVDCFIXKETN-AWEZNQCLSA-N	1	1	388.559	1.029	10	0		GDAEMO
Cc1csc([C@H]2CCC[N@H+](CC(=O)NCCCN(C)S(C)(=O)=O)C2)n1	ZINC000195338058	531021446	/nfs/dbraw/zinc/02/14/46/531021446.db2.gz	JCIFVDCFIXKETN-AWEZNQCLSA-N	1	1	388.559	1.029	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)C[C@H]1N1CCOCC1	ZINC000246570858	531068334	/nfs/dbraw/zinc/06/83/34/531068334.db2.gz	VMRUTNNLLFSWEN-UWWQBHOKSA-N	1	1	399.329	1.841	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)C1	ZINC000247325865	531074260	/nfs/dbraw/zinc/07/42/60/531074260.db2.gz	MSIQMBNDGBMRFG-GXTWGEPZSA-N	1	1	380.539	1.834	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000247881688	531076495	/nfs/dbraw/zinc/07/64/95/531076495.db2.gz	ZKLAWJVBRBSXJN-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000247881688	531076496	/nfs/dbraw/zinc/07/64/96/531076496.db2.gz	ZKLAWJVBRBSXJN-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1C	ZINC000247881688	531076499	/nfs/dbraw/zinc/07/64/99/531076499.db2.gz	ZKLAWJVBRBSXJN-GDBMZVCRSA-N	1	1	387.318	1.841	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)s1	ZINC000131287541	531069280	/nfs/dbraw/zinc/06/92/80/531069280.db2.gz	PCTOLICZSDFSNR-AWEZNQCLSA-N	1	1	386.543	1.215	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000246733871	531069503	/nfs/dbraw/zinc/06/95/03/531069503.db2.gz	OWCUKRYHYWKHJU-AAEUAGOBSA-N	1	1	394.273	1.991	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21	ZINC000284354554	531951487	/nfs/dbraw/zinc/95/14/87/531951487.db2.gz	AVDDBYBHUMOPMW-HZPDHXFCSA-N	1	1	391.896	1.561	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21	ZINC000284354554	531951495	/nfs/dbraw/zinc/95/14/95/531951495.db2.gz	AVDDBYBHUMOPMW-HZPDHXFCSA-N	1	1	391.896	1.561	10	0		GDAEMO
C/C=C(/C)C(=O)O[C@@H]1CC[N@H+]2CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12	ZINC000056871326	291103325	/nfs/dbraw/zinc/10/33/25/291103325.db2.gz	MVWPTZQHBOWRTF-QKJMJVMDSA-N	1	1	381.469	1.190	10	0	biogenic,in-vitro	GDAEMO
CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCCN(S(C)(=O)=O)C2)n1C	ZINC000328654162	212089624	/nfs/dbraw/zinc/08/96/24/212089624.db2.gz	XGUNIGPYEBVGEA-WBVHZDCISA-N	1	1	396.557	1.583	10	0		GDAEMO
O=C1CN(Cc2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CCN1	ZINC000011933053	221137343	/nfs/dbraw/zinc/13/73/43/221137343.db2.gz	CQIOJHIYJPOBHC-OAQYLSRUSA-N	1	1	395.503	1.416	10	0		GDAEMO
Cc1c(C(=O)NCCC[NH+]2CCOCC2)cccc1-n1nnc2cccnc21	ZINC000064925719	222088430	/nfs/dbraw/zinc/08/84/30/222088430.db2.gz	RSHUYUANMDVQOP-UHFFFAOYSA-N	1	1	380.452	1.576	10	0		GDAEMO
COCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([N@H+](C)CCN(C)C)[C@@H]2O	ZINC000023544219	570365084	/nfs/dbraw/zinc/36/50/84/570365084.db2.gz	LUMUZCVVDQAVPW-UXHICEINSA-N	1	1	375.513	1.102	10	0		GDAEMO
COCC(=O)N1CCC2(CC1)c1ccccc1[C@@H]([N@@H+](C)CCN(C)C)[C@@H]2O	ZINC000023544219	570365090	/nfs/dbraw/zinc/36/50/90/570365090.db2.gz	LUMUZCVVDQAVPW-UXHICEINSA-N	1	1	375.513	1.102	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)s1	ZINC000329109680	645296843	/nfs/dbraw/zinc/29/68/43/645296843.db2.gz	QBDYDIBMZDXYFM-GJZGRUSLSA-N	1	1	385.555	1.620	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1	ZINC000893767682	658445113	/nfs/dbraw/zinc/44/51/13/658445113.db2.gz	GSUHDRXFNFDSCV-RYUDHWBXSA-N	1	1	385.262	1.325	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1	ZINC000893767682	658445121	/nfs/dbraw/zinc/44/51/21/658445121.db2.gz	GSUHDRXFNFDSCV-RYUDHWBXSA-N	1	1	385.262	1.325	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C	ZINC000177610887	530707216	/nfs/dbraw/zinc/70/72/16/530707216.db2.gz	UAVIYGWLAXRPOA-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@@H]1C	ZINC000177610887	530707218	/nfs/dbraw/zinc/70/72/18/530707218.db2.gz	UAVIYGWLAXRPOA-NWDGAFQWSA-N	1	1	384.274	1.301	10	0		GDAEMO
NS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1	ZINC000188138075	530886303	/nfs/dbraw/zinc/88/63/03/530886303.db2.gz	SRGRNZVIEZLIAQ-YOEHRIQHSA-N	1	1	382.507	1.482	10	0		GDAEMO
C[N@@H+]1C[C@H]2CN(CC(=O)Nc3ccc(I)cc3)C[C@H]2C1	ZINC000193622111	530991160	/nfs/dbraw/zinc/99/11/60/530991160.db2.gz	LLKBCURPBDXLHV-TXEJJXNPSA-N	1	1	385.249	1.723	10	0		GDAEMO
CS(=O)(=O)N1CCC[N@@H+](C[C@H](O)COCc2ccc(Cl)cc2)CC1	ZINC000193722536	530992370	/nfs/dbraw/zinc/99/23/70/530992370.db2.gz	UICLQUUEKADLLK-INIZCTEOSA-N	1	1	376.906	1.185	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C	ZINC000246031508	531062340	/nfs/dbraw/zinc/06/23/40/531062340.db2.gz	MBKMRMGIFCRUFK-ZJUUUORDSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@H]1C	ZINC000246031508	531062344	/nfs/dbraw/zinc/06/23/44/531062344.db2.gz	MBKMRMGIFCRUFK-ZJUUUORDSA-N	1	1	375.803	1.470	10	0		GDAEMO
O=S(=O)(c1cccc(I)c1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000246254148	531065812	/nfs/dbraw/zinc/06/58/12/531065812.db2.gz	WROOVZYMGDXLIT-LBPRGKRZSA-N	1	1	392.262	1.760	10	0		GDAEMO
C[N@H+]1CC[C@@H](CNC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245687864	531060138	/nfs/dbraw/zinc/06/01/38/531060138.db2.gz	LEPGPBKZIPKZLZ-SMDDNHRTSA-N	1	1	392.884	1.060	10	0		GDAEMO
CC[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000245761497	531060696	/nfs/dbraw/zinc/06/06/96/531060696.db2.gz	IOWYMMOOWAUDDE-APHBMKBZSA-N	1	1	384.318	1.753	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNS(=O)(=O)c1ccc(Cl)s1	ZINC000247322849	531074296	/nfs/dbraw/zinc/07/42/96/531074296.db2.gz	OUIKWLNUDYMLJT-MNOVXSKESA-N	1	1	377.919	1.375	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775735	531076667	/nfs/dbraw/zinc/07/66/67/531076667.db2.gz	QMVRYEWNBUGVQF-OFQRWUPVSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775735	531076672	/nfs/dbraw/zinc/07/66/72/531076672.db2.gz	QMVRYEWNBUGVQF-OFQRWUPVSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000247775735	531076673	/nfs/dbraw/zinc/07/66/73/531076673.db2.gz	QMVRYEWNBUGVQF-OFQRWUPVSA-N	1	1	387.318	1.576	10	0		GDAEMO
O=C(CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)NCC(F)(F)F	ZINC000249562743	531087771	/nfs/dbraw/zinc/08/77/71/531087771.db2.gz	MBSXIUSKWFNFEU-RYUDHWBXSA-N	1	1	379.404	1.534	10	0		GDAEMO
CC[C@@H]1CN([C@@H](C(N)=O)c2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O	ZINC000252352746	531090682	/nfs/dbraw/zinc/09/06/82/531090682.db2.gz	MJDFMJGWRSDGJG-APHBMKBZSA-N	1	1	384.318	1.753	10	0		GDAEMO
C[N@H+]1CCO[C@H]2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)C[C@@H]21	ZINC000408028760	531211554	/nfs/dbraw/zinc/21/15/54/531211554.db2.gz	VAFZJMHUVXDGLK-STQMWFEESA-N	1	1	379.404	1.262	10	0		GDAEMO
C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114726	531219890	/nfs/dbraw/zinc/21/98/90/531219890.db2.gz	ZBGXETRDZNZSLJ-MNOVXSKESA-N	1	1	394.269	1.596	10	0		GDAEMO
C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114726	531219895	/nfs/dbraw/zinc/21/98/95/531219895.db2.gz	ZBGXETRDZNZSLJ-MNOVXSKESA-N	1	1	394.269	1.596	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@@H]2C1	ZINC000284983408	532015195	/nfs/dbraw/zinc/01/51/95/532015195.db2.gz	KNNKROPSHXNFPF-ZIAGYGMSSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@@H]2C1	ZINC000284983408	532015198	/nfs/dbraw/zinc/01/51/98/532015198.db2.gz	KNNKROPSHXNFPF-ZIAGYGMSSA-N	1	1	380.388	1.679	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1OC	ZINC000285200456	532047046	/nfs/dbraw/zinc/04/70/46/532047046.db2.gz	VUTIPSBDUXUJLT-QWHCGFSZSA-N	1	1	390.889	1.451	10	0		GDAEMO
COc1cc(Cl)c(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1OC	ZINC000285200456	532047051	/nfs/dbraw/zinc/04/70/51/532047051.db2.gz	VUTIPSBDUXUJLT-QWHCGFSZSA-N	1	1	390.889	1.451	10	0		GDAEMO
COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O	ZINC000095964030	222366260	/nfs/dbraw/zinc/36/62/60/222366260.db2.gz	YCCZGXKCXVIIOU-INIZCTEOSA-N	1	1	385.464	1.897	10	0		GDAEMO
CC[C@@H](C)NC(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1	ZINC000034677118	570294029	/nfs/dbraw/zinc/29/40/29/570294029.db2.gz	ONFKXLYVNJQYQS-CVEARBPZSA-N	1	1	382.505	1.106	10	0		GDAEMO
CCOC(=O)c1ccc(NC(=O)CCc2c(C)nc3nc(C[NH3+])nn3c2C)cc1	ZINC000006808279	570609847	/nfs/dbraw/zinc/60/98/47/570609847.db2.gz	RVKSGFPFEFMIAY-UHFFFAOYSA-N	1	1	396.451	1.948	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F	ZINC000177726329	644920894	/nfs/dbraw/zinc/92/08/94/644920894.db2.gz	YQHCQWDQYAWGKG-LLVKDONJSA-N	1	1	376.425	1.856	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@@H+]1C[C@H](C)O	ZINC000246985440	645097066	/nfs/dbraw/zinc/09/70/66/645097066.db2.gz	JBLKPHVAOCPWQD-WCQYABFASA-N	1	1	399.289	1.086	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)nc2)CC[N@H+]1C[C@H](C)O	ZINC000246985440	645097070	/nfs/dbraw/zinc/09/70/70/645097070.db2.gz	JBLKPHVAOCPWQD-WCQYABFASA-N	1	1	399.289	1.086	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccccc1S(C)(=O)=O	ZINC000173840698	530638681	/nfs/dbraw/zinc/63/86/81/530638681.db2.gz	XJCXZHGCWGYPOC-AWEZNQCLSA-N	1	1	383.495	1.448	10	0		GDAEMO
C[C@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1[NH+]1CCOCC1	ZINC000177969169	530713500	/nfs/dbraw/zinc/71/35/00/530713500.db2.gz	KZZXYEASHADYSR-SMDDNHRTSA-N	1	1	399.289	1.332	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1CCOC	ZINC000179725640	530748252	/nfs/dbraw/zinc/74/82/52/530748252.db2.gz	RLPZHXNHAFOXIL-LBPRGKRZSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1CCOC	ZINC000179725640	530748254	/nfs/dbraw/zinc/74/82/54/530748254.db2.gz	RLPZHXNHAFOXIL-LBPRGKRZSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)CC1	ZINC000181236093	530780179	/nfs/dbraw/zinc/78/01/79/530780179.db2.gz	NKHYOWXTAZZLBH-GFCCVEGCSA-N	1	1	387.278	1.068	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CS(=O)(=O)c2ccc(Cl)cc2)cn1	ZINC000181390787	530783055	/nfs/dbraw/zinc/78/30/55/530783055.db2.gz	XBLBPIZVOBXFBO-HNNXBMFYSA-N	1	1	382.873	1.020	10	0		GDAEMO
CC(C)([NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1Br	ZINC000181520364	530785687	/nfs/dbraw/zinc/78/56/87/530785687.db2.gz	VSXDXJXUEMLAFD-LBPRGKRZSA-N	1	1	382.302	1.998	10	0		GDAEMO
OCC[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)CN1CCOCC1	ZINC000103228758	530833716	/nfs/dbraw/zinc/83/37/16/530833716.db2.gz	LXRIQEQVOGFYMD-OAHLLOKOSA-N	1	1	391.281	1.076	10	0		GDAEMO
OCC[N@H+](Cc1cc(Br)ccc1F)C[C@H](O)CN1CCOCC1	ZINC000103228758	530833719	/nfs/dbraw/zinc/83/37/19/530833719.db2.gz	LXRIQEQVOGFYMD-OAHLLOKOSA-N	1	1	391.281	1.076	10	0		GDAEMO
O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000183431453	530815000	/nfs/dbraw/zinc/81/50/00/530815000.db2.gz	BJASLHKRBYLANF-SNVBAGLBSA-N	1	1	380.242	1.700	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br	ZINC000193471445	530987412	/nfs/dbraw/zinc/98/74/12/530987412.db2.gz	GYLKPEBNEWICEH-GHMZBOCLSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1Br	ZINC000193471445	530987413	/nfs/dbraw/zinc/98/74/13/530987413.db2.gz	GYLKPEBNEWICEH-GHMZBOCLSA-N	1	1	399.289	1.005	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)s2)C1	ZINC000194652188	531007733	/nfs/dbraw/zinc/00/77/33/531007733.db2.gz	BPUJTFCIZPSMGI-CABCVRRESA-N	1	1	385.555	1.810	10	0		GDAEMO
O=C(COc1ccc(I)cc1)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195310883	531020457	/nfs/dbraw/zinc/02/04/57/531020457.db2.gz	YXYROQHFPPITIM-ZDUSSCGKSA-N	1	1	386.233	1.977	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000245431276	531057389	/nfs/dbraw/zinc/05/73/89/531057389.db2.gz	MVMPVUNSGWLLCU-HUUCEWRRSA-N	1	1	385.555	1.844	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000245658114	531060081	/nfs/dbraw/zinc/06/00/81/531060081.db2.gz	MCGSJJMWBLALSS-MNOVXSKESA-N	1	1	389.237	1.213	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)c2cncc(I)c2)C[C@H]1C	ZINC000245658114	531060083	/nfs/dbraw/zinc/06/00/83/531060083.db2.gz	MCGSJJMWBLALSS-MNOVXSKESA-N	1	1	389.237	1.213	10	0		GDAEMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Br)o2)C1	ZINC000248581931	531079825	/nfs/dbraw/zinc/07/98/25/531079825.db2.gz	SRWWGRUBKQSSOE-RYUDHWBXSA-N	1	1	384.274	1.715	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000132815381	531084466	/nfs/dbraw/zinc/08/44/66/531084466.db2.gz	PNSDFORQBHDSJZ-GHMZBOCLSA-N	1	1	389.880	1.825	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000249153252	531084963	/nfs/dbraw/zinc/08/49/63/531084963.db2.gz	YWOCHAOJLBRLCC-QWRGUYRKSA-N	1	1	386.290	1.688	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1	ZINC000249153252	531084964	/nfs/dbraw/zinc/08/49/64/531084964.db2.gz	YWOCHAOJLBRLCC-QWRGUYRKSA-N	1	1	386.290	1.688	10	0		GDAEMO
O=C(C[N@H+]1CCS[C@H]2COCC[C@H]21)N1CCN(Cc2cccs2)CC1	ZINC000246965573	531071485	/nfs/dbraw/zinc/07/14/85/531071485.db2.gz	NHCMIBNEKAGJIY-SJORKVTESA-N	1	1	381.567	1.599	10	0		GDAEMO
C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114728	531219390	/nfs/dbraw/zinc/21/93/90/531219390.db2.gz	ZBGXETRDZNZSLJ-QWRGUYRKSA-N	1	1	394.269	1.596	10	0		GDAEMO
C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114728	531219395	/nfs/dbraw/zinc/21/93/95/531219395.db2.gz	ZBGXETRDZNZSLJ-QWRGUYRKSA-N	1	1	394.269	1.596	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CC[N@H+](C)C[C@H]43)cc(Cl)c2O1	ZINC000285249735	532055290	/nfs/dbraw/zinc/05/52/90/532055290.db2.gz	YFRWUUFFSHMRRF-LYRGGWFBSA-N	1	1	386.901	1.757	10	0		GDAEMO
C[C@@H]1Cc2cc(S(=O)(=O)N3CCO[C@H]4CC[N@@H+](C)C[C@H]43)cc(Cl)c2O1	ZINC000285249735	532055294	/nfs/dbraw/zinc/05/52/94/532055294.db2.gz	YFRWUUFFSHMRRF-LYRGGWFBSA-N	1	1	386.901	1.757	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2nnc3ccc(Br)cn32)C1	ZINC000333632829	532243201	/nfs/dbraw/zinc/24/32/01/532243201.db2.gz	HSWJRWUEUMAQQD-PWSUYJOCSA-N	1	1	381.278	2.342	10	0		GDAEMO
Cc1sc(Br)cc1S(=O)(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1	ZINC000404109868	532306092	/nfs/dbraw/zinc/30/60/92/532306092.db2.gz	JILCFMOHANRVDH-NXEZZACHSA-N	1	1	381.317	1.570	10	0		GDAEMO
CCn1ccnc1CN(C)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1	ZINC000012304804	221177785	/nfs/dbraw/zinc/17/77/85/221177785.db2.gz	XFKJWKHAZVXNFG-KRWDZBQOSA-N	1	1	375.517	1.632	10	0		GDAEMO
COCCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCC(C(=O)OC)CC2)c1	ZINC000012591059	221211937	/nfs/dbraw/zinc/21/19/37/221211937.db2.gz	PZMIDQKQVDWXFQ-LJQANCHMSA-N	1	1	394.512	1.437	10	0		GDAEMO
CCNC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1cccc(OCCO)c1)CC2	ZINC000014747060	221315901	/nfs/dbraw/zinc/31/59/01/221315901.db2.gz	CPLPIBRXDITUNC-UHFFFAOYSA-N	1	1	398.507	1.972	10	0		GDAEMO
CCNC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1cccc(OCCO)c1)CC2	ZINC000014747060	221315904	/nfs/dbraw/zinc/31/59/04/221315904.db2.gz	CPLPIBRXDITUNC-UHFFFAOYSA-N	1	1	398.507	1.972	10	0		GDAEMO
CS(=O)(=O)NC[C@@]1(O)CCC[N@H+](Cc2ccnn2-c2ccccc2)CC1	ZINC000072166837	222214849	/nfs/dbraw/zinc/21/48/49/222214849.db2.gz	PQVNZNXGMKTHHX-GOSISDBHSA-N	1	1	378.498	1.139	10	0		GDAEMO
CS(=O)(=O)NC[C@@]1(O)CCC[N@@H+](Cc2ccnn2-c2ccccc2)CC1	ZINC000072166837	222214852	/nfs/dbraw/zinc/21/48/52/222214852.db2.gz	PQVNZNXGMKTHHX-GOSISDBHSA-N	1	1	378.498	1.139	10	0		GDAEMO
O=C(NCc1ccccn1)[C@H]1C[NH2+]CCN1C(=O)c1cnc2ccccc2c1	ZINC000072144609	570870997	/nfs/dbraw/zinc/87/09/97/570870997.db2.gz	FSZHESUTDKNJJX-LJQANCHMSA-N	1	1	375.432	1.360	10	0		GDAEMO
CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1cnc(N(C)C)nc1)CC2	ZINC000095515427	571083473	/nfs/dbraw/zinc/08/34/73/571083473.db2.gz	YAOFVJJVYKRXBB-UHFFFAOYSA-N	1	1	383.500	1.552	10	0		GDAEMO
CC[C@H]1CN(Cn2nc(N3CCOCC3)sc2=S)CC[N@H+]1CCOC	ZINC000117324204	644650721	/nfs/dbraw/zinc/65/07/21/644650721.db2.gz	IOJFIEQCJVQTEC-AWEZNQCLSA-N	1	1	387.575	1.511	10	0		GDAEMO
O=c1c(Cl)c(Cl)cnn1CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000118958981	644654718	/nfs/dbraw/zinc/65/47/18/644654718.db2.gz	HWXRTTVIVFCZOA-OAHLLOKOSA-N	1	1	383.279	1.859	10	0		GDAEMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H](O)COc1cccc(Br)c1	ZINC000172074747	530607960	/nfs/dbraw/zinc/60/79/60/530607960.db2.gz	CTIKFPKOPHETFV-BZPMIXESSA-N	1	1	394.331	1.942	10	0		GDAEMO
C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H](O)COc1cccc(Br)c1	ZINC000172074747	530607963	/nfs/dbraw/zinc/60/79/63/530607963.db2.gz	CTIKFPKOPHETFV-BZPMIXESSA-N	1	1	394.331	1.942	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(OCC(F)(F)F)nc1	ZINC000182878370	530806645	/nfs/dbraw/zinc/80/66/45/530806645.db2.gz	QDRWPNSAMDULSX-NWDGAFQWSA-N	1	1	379.404	1.880	10	0		GDAEMO
COCC[N@H+]1CCN(C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000106108759	530846788	/nfs/dbraw/zinc/84/67/88/530846788.db2.gz	BURHWTYRIWYJAJ-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000106108759	530846792	/nfs/dbraw/zinc/84/67/92/530846792.db2.gz	BURHWTYRIWYJAJ-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
COCCN1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C	ZINC000106108759	530846794	/nfs/dbraw/zinc/84/67/94/530846794.db2.gz	BURHWTYRIWYJAJ-HOCLYGCPSA-N	1	1	387.318	1.841	10	0		GDAEMO
Cc1cccc(N2CCC(NC(=O)c3csc(S(N)(=O)=O)c3)CC2)[nH+]1	ZINC000116836716	530908169	/nfs/dbraw/zinc/90/81/69/530908169.db2.gz	WVLPSNCKWWQULG-UHFFFAOYSA-N	1	1	380.495	1.498	10	0		GDAEMO
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C	ZINC000113226630	530887615	/nfs/dbraw/zinc/88/76/15/530887615.db2.gz	YXHJLNLXDQIWCT-VNHYZAJKSA-N	1	1	385.917	1.702	10	0		GDAEMO
C[C@@H](C[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1)CS(C)(=O)=O	ZINC000190514569	530931558	/nfs/dbraw/zinc/93/15/58/530931558.db2.gz	XHNDEPJGHQUVMQ-HOTGVXAUSA-N	1	1	376.563	1.795	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)nc2Br)CC1	ZINC000189478912	530913962	/nfs/dbraw/zinc/91/39/62/530913962.db2.gz	HUQAAPQGLMYSSL-LBPRGKRZSA-N	1	1	399.289	1.006	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1	ZINC000189454662	530914274	/nfs/dbraw/zinc/91/42/74/530914274.db2.gz	JQBHKTKTCVBQCD-CQSZACIVSA-N	1	1	398.301	1.611	10	0		GDAEMO
O=S(=O)(CCc1cccs1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1	ZINC000195380306	531022059	/nfs/dbraw/zinc/02/20/59/531022059.db2.gz	SKXPRPVSDDXKOA-KRWDZBQOSA-N	1	1	380.535	1.629	10	0		GDAEMO
O=S(=O)(CCc1cccs1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000195380306	531022061	/nfs/dbraw/zinc/02/20/61/531022061.db2.gz	SKXPRPVSDDXKOA-KRWDZBQOSA-N	1	1	380.535	1.629	10	0		GDAEMO
CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000247388036	531074664	/nfs/dbraw/zinc/07/46/64/531074664.db2.gz	QEKWTJSHMSGROV-HEHGZKQESA-N	1	1	387.933	1.852	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)C1	ZINC000247495340	531074949	/nfs/dbraw/zinc/07/49/49/531074949.db2.gz	XELIVKFBXKTQLE-GHMZBOCLSA-N	1	1	379.935	1.525	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(O)c(Br)c2)C[C@H]1C	ZINC000248667878	531080513	/nfs/dbraw/zinc/08/05/13/531080513.db2.gz	XHGWVVZKFSPTBA-NEPJUHHUSA-N	1	1	386.290	1.751	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC[N@H+]1C[C@H](C)O	ZINC000249542194	531087847	/nfs/dbraw/zinc/08/78/47/531087847.db2.gz	FGOMQCZGZSAECT-JQWIXIFHSA-N	1	1	386.290	1.775	10	0		GDAEMO
O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(Br)c1	ZINC000249746666	531089010	/nfs/dbraw/zinc/08/90/10/531089010.db2.gz	NBKAGJRBTMRVQC-ZBFHGGJFSA-N	1	1	383.286	1.932	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000408151529	531222225	/nfs/dbraw/zinc/22/22/25/531222225.db2.gz	RARATUUPSLMSMB-WCQYABFASA-N	1	1	391.490	1.054	10	0		GDAEMO
CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000012317048	221181581	/nfs/dbraw/zinc/18/15/81/221181581.db2.gz	GFBCFULLDHPVJH-GOSISDBHSA-N	1	1	383.496	1.868	10	0		GDAEMO
CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1	ZINC000012317048	221181586	/nfs/dbraw/zinc/18/15/86/221181586.db2.gz	GFBCFULLDHPVJH-GOSISDBHSA-N	1	1	383.496	1.868	10	0		GDAEMO
O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cc(COc2cncc(Cl)c2)on1	ZINC000015064592	221327297	/nfs/dbraw/zinc/32/72/97/221327297.db2.gz	PJQDDUICPYHJMH-CQSZACIVSA-N	1	1	394.859	1.879	10	0		GDAEMO
CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21	ZINC000082039420	222306318	/nfs/dbraw/zinc/30/63/18/222306318.db2.gz	WVAAGHGWNMZOON-LJQANCHMSA-N	1	1	383.492	1.665	10	0		GDAEMO
CC(C)(CO)CNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21	ZINC000082039420	222306321	/nfs/dbraw/zinc/30/63/21/222306321.db2.gz	WVAAGHGWNMZOON-LJQANCHMSA-N	1	1	383.492	1.665	10	0		GDAEMO
CCN1CC[NH+](CCCNC(=O)[C@H](C)N2c3ccccc3CCCC2=O)CC1	ZINC000033249667	570856951	/nfs/dbraw/zinc/85/69/51/570856951.db2.gz	RPDGMSKKYWJETB-SFHVURJKSA-N	1	1	386.540	1.888	10	0		GDAEMO
C[C@H](C(=O)Nc1sccc1C(N)=O)[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249559382	645103194	/nfs/dbraw/zinc/10/31/94/645103194.db2.gz	LCGJXDKWDQMIJG-OSMZGAPFSA-N	1	1	379.507	1.943	10	0		GDAEMO
C[C@H](C(=O)Nc1sccc1C(N)=O)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1	ZINC000249559382	645103201	/nfs/dbraw/zinc/10/32/01/645103201.db2.gz	LCGJXDKWDQMIJG-OSMZGAPFSA-N	1	1	379.507	1.943	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000171511152	530600152	/nfs/dbraw/zinc/60/01/52/530600152.db2.gz	MJNNATLJUXFKBY-RDJZCZTQSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CCO[C@H](Cn2cccn2)C1	ZINC000171511152	530600155	/nfs/dbraw/zinc/60/01/55/530600155.db2.gz	MJNNATLJUXFKBY-RDJZCZTQSA-N	1	1	396.285	1.786	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[NH+]1CCN(c2cccnn2)CC1	ZINC000170648790	530586730	/nfs/dbraw/zinc/58/67/30/530586730.db2.gz	RSTDMLLVOKEAKC-HNNXBMFYSA-N	1	1	393.285	1.801	10	0		GDAEMO
Cn1cc(N2CC[NH+](C[C@H](O)COc3cccc(Br)c3)CC2)cn1	ZINC000173962000	530640806	/nfs/dbraw/zinc/64/08/06/530640806.db2.gz	WFEHXTGODBFDAU-INIZCTEOSA-N	1	1	395.301	1.745	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177605435	530706312	/nfs/dbraw/zinc/70/63/12/530706312.db2.gz	QRLIIOWDNVELAG-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1	ZINC000177605435	530706314	/nfs/dbraw/zinc/70/63/14/530706314.db2.gz	QRLIIOWDNVELAG-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1	ZINC000177607163	530706515	/nfs/dbraw/zinc/70/65/15/530706515.db2.gz	ZZIHMDWFORVOLU-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)c1	ZINC000177607163	530706520	/nfs/dbraw/zinc/70/65/20/530706520.db2.gz	ZZIHMDWFORVOLU-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
O=C(Nc1ccccc1I)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177694244	530708973	/nfs/dbraw/zinc/70/89/73/530708973.db2.gz	BMLQEMKFHHUEPC-LLVKDONJSA-N	1	1	399.232	1.536	10	0		GDAEMO
COc1cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000177691675	530709204	/nfs/dbraw/zinc/70/92/04/530709204.db2.gz	DYBQKWFDKXWZRX-GFCCVEGCSA-N	1	1	382.258	1.703	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1C	ZINC000179584928	530745331	/nfs/dbraw/zinc/74/53/31/530745331.db2.gz	SWDOGTQQRUMLPC-LBPRGKRZSA-N	1	1	396.289	1.675	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@@H]1C	ZINC000179584928	530745335	/nfs/dbraw/zinc/74/53/35/530745335.db2.gz	SWDOGTQQRUMLPC-LBPRGKRZSA-N	1	1	396.289	1.675	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(I)cc2)CC1	ZINC000106392465	530848254	/nfs/dbraw/zinc/84/82/54/530848254.db2.gz	WDZSNGCDCPMDCY-AWEZNQCLSA-N	1	1	388.249	1.820	10	0		GDAEMO
CCS(=O)(=O)CCNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000190501746	530930766	/nfs/dbraw/zinc/93/07/66/530930766.db2.gz	MMERAOLBWJRTAE-CQSZACIVSA-N	1	1	388.559	1.350	10	0		GDAEMO
CCS(=O)(=O)CCNC(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000190501746	530930768	/nfs/dbraw/zinc/93/07/68/530930768.db2.gz	MMERAOLBWJRTAE-CQSZACIVSA-N	1	1	388.559	1.350	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(C)ccc2Br)CC1	ZINC000189453754	530914018	/nfs/dbraw/zinc/91/40/18/530914018.db2.gz	YELBAWIIYZPQIW-ZDUSSCGKSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccnc1Br	ZINC000190354322	530928826	/nfs/dbraw/zinc/92/88/26/530928826.db2.gz	JIWVRBKPGQUJMM-NWDGAFQWSA-N	1	1	381.274	1.868	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1	ZINC000190822315	530938123	/nfs/dbraw/zinc/93/81/23/530938123.db2.gz	VWPBWKOHLUNWPD-NSHDSACASA-N	1	1	392.258	1.986	10	0		GDAEMO
C[NH+]1CCN(C(=O)CN2CCO[C@@H](c3ccccc3Br)C2)CC1	ZINC000120928954	530947869	/nfs/dbraw/zinc/94/78/69/530947869.db2.gz	PAXKBKOQXNOWPQ-MRXNPFEDSA-N	1	1	382.302	1.596	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1	ZINC000194659725	531007705	/nfs/dbraw/zinc/00/77/05/531007705.db2.gz	AREMAUPJHBTUDF-CYBMUJFWSA-N	1	1	393.285	1.760	10	0		GDAEMO
O=C1C[N@@H+](C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@H]2N1	ZINC000246562646	531068250	/nfs/dbraw/zinc/06/82/50/531068250.db2.gz	KSJFVIVKYVJPDT-NUEKZKHPSA-N	1	1	383.286	1.932	10	0		GDAEMO
O=C1C[N@H+](C[C@H](O)COc2cccc(Br)c2)[C@@H]2CCCC[C@H]2N1	ZINC000246562646	531068253	/nfs/dbraw/zinc/06/82/53/531068253.db2.gz	KSJFVIVKYVJPDT-NUEKZKHPSA-N	1	1	383.286	1.932	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1	ZINC000245524894	531057473	/nfs/dbraw/zinc/05/74/73/531057473.db2.gz	AZROLGGKTNJJTI-KBRIMQKVSA-N	1	1	390.933	1.792	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2Cl)C1	ZINC000245527254	531057576	/nfs/dbraw/zinc/05/75/76/531057576.db2.gz	COOUDJZWSOQSLP-CABCVRRESA-N	1	1	376.906	1.231	10	0		GDAEMO
CC[C@@H]1CN([C@H](C(N)=O)c2cccc(Br)c2)CC[N@H+]1C[C@H](C)O	ZINC000245761504	531060891	/nfs/dbraw/zinc/06/08/91/531060891.db2.gz	IOWYMMOOWAUDDE-MAZHCROVSA-N	1	1	384.318	1.753	10	0		GDAEMO
C[N@H+]1CCC[C@H]2CN(C(=O)CNC(=O)c3ccc(Br)o3)CC[C@H]21	ZINC000247017969	531071747	/nfs/dbraw/zinc/07/17/47/531071747.db2.gz	RAIYJGICASGNKW-NWDGAFQWSA-N	1	1	384.274	1.715	10	0		GDAEMO
C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000408111832	531220261	/nfs/dbraw/zinc/22/02/61/531220261.db2.gz	GCBUQZXXPYCPPS-CQSZACIVSA-N	1	1	385.555	1.628	10	0		GDAEMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1	ZINC000408111832	531220266	/nfs/dbraw/zinc/22/02/66/531220266.db2.gz	GCBUQZXXPYCPPS-CQSZACIVSA-N	1	1	385.555	1.628	10	0		GDAEMO
C[C@@H]1C[N@H+](C2CCN(c3cc(Br)cnc3C(N)=O)CC2)CCO1	ZINC000408190787	531224300	/nfs/dbraw/zinc/22/43/00/531224300.db2.gz	DBNFYEHGQPVTRL-LLVKDONJSA-N	1	1	383.290	1.633	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21	ZINC000284354546	531951805	/nfs/dbraw/zinc/95/18/05/531951805.db2.gz	AVDDBYBHUMOPMW-CVEARBPZSA-N	1	1	391.896	1.561	10	0		GDAEMO
CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21	ZINC000284354546	531951812	/nfs/dbraw/zinc/95/18/12/531951812.db2.gz	AVDDBYBHUMOPMW-CVEARBPZSA-N	1	1	391.896	1.561	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@H]2C1	ZINC000284983388	532015040	/nfs/dbraw/zinc/01/50/40/532015040.db2.gz	KNNKROPSHXNFPF-KBPBESRZSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)[C@H]2C1	ZINC000284983388	532015044	/nfs/dbraw/zinc/01/50/44/532015044.db2.gz	KNNKROPSHXNFPF-KBPBESRZSA-N	1	1	380.388	1.679	10	0		GDAEMO
O=C1C[NH2+]CCN1[C@@H]1CCCN(c2noc3ccc(Br)cc32)C1	ZINC000333912683	532255799	/nfs/dbraw/zinc/25/57/99/532255799.db2.gz	LXVGBVFQPIRKKV-GFCCVEGCSA-N	1	1	379.258	1.991	10	0		GDAEMO
O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(c2cnc3nccnc3c2)C1	ZINC000065226992	136160413	/nfs/dbraw/zinc/16/04/13/136160413.db2.gz	KIFRJGUBKSQABS-MRXNPFEDSA-N	1	1	384.484	1.080	10	0		GDAEMO
CC(=O)N[C@H]1CCC[N@@H+](Cn2nc(Br)c(=O)c3ccccc32)C1	ZINC000123790757	644699343	/nfs/dbraw/zinc/69/93/43/644699343.db2.gz	GPQFJQKQFNZXDX-LBPRGKRZSA-N	1	1	379.258	1.717	10	0		GDAEMO
Cc1[nH]c(=O)c(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Br	ZINC000163181606	530573988	/nfs/dbraw/zinc/57/39/88/530573988.db2.gz	ZLWBFTSXIXHNIH-QMTHXVAHSA-N	1	1	384.274	1.651	10	0		GDAEMO
CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)C1	ZINC000174743877	530653685	/nfs/dbraw/zinc/65/36/85/530653685.db2.gz	IDSZINDKRUCYKF-GJZGRUSLSA-N	1	1	399.285	1.890	10	0		GDAEMO
CC[N@H+]1CCO[C@H](C(=O)N[C@@H](CC(=O)OC)c2cccc(Br)c2)C1	ZINC000174743877	530653686	/nfs/dbraw/zinc/65/36/86/530653686.db2.gz	IDSZINDKRUCYKF-GJZGRUSLSA-N	1	1	399.285	1.890	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177603888	530706534	/nfs/dbraw/zinc/70/65/34/530706534.db2.gz	YGQOKDKNMJTIAU-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1	ZINC000177603888	530706538	/nfs/dbraw/zinc/70/65/38/530706538.db2.gz	YGQOKDKNMJTIAU-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)n1	ZINC000179844029	530751038	/nfs/dbraw/zinc/75/10/38/530751038.db2.gz	ADRJFPSZIDGHQH-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c(Br)n1	ZINC000179844029	530751040	/nfs/dbraw/zinc/75/10/40/530751040.db2.gz	ADRJFPSZIDGHQH-VXGBXAGGSA-N	1	1	399.289	1.005	10	0		GDAEMO
CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(C)c(Br)c3=O)C2)CC1	ZINC000119673542	530929610	/nfs/dbraw/zinc/92/96/10/530929610.db2.gz	CSUJZLGDYDWIPP-CYBMUJFWSA-N	1	1	397.317	1.710	10	0		GDAEMO
O=C(Nc1cc(Br)c(F)cc1F)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000190877304	530939244	/nfs/dbraw/zinc/93/92/44/530939244.db2.gz	XUBQFZVNLQXMAM-SECBINFHSA-N	1	1	388.212	1.972	10	0		GDAEMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1	ZINC000245994765	531062406	/nfs/dbraw/zinc/06/24/06/531062406.db2.gz	RCUOPDLVEKZJGP-UONOGXRCSA-N	1	1	386.543	1.152	10	0		GDAEMO
C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1N1CCOCC1	ZINC000246431460	531066619	/nfs/dbraw/zinc/06/66/19/531066619.db2.gz	LHZRWJJHKLFGPU-TZMCWYRMSA-N	1	1	383.290	1.435	10	0		GDAEMO
C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)C[C@H]1N1CCOCC1	ZINC000246431460	531066622	/nfs/dbraw/zinc/06/66/22/531066622.db2.gz	LHZRWJJHKLFGPU-TZMCWYRMSA-N	1	1	383.290	1.435	10	0		GDAEMO
O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1COCC[NH2+]1	ZINC000237707979	531049365	/nfs/dbraw/zinc/04/93/65/531049365.db2.gz	MIASBNDRUWZTKF-JQWIXIFHSA-N	1	1	378.782	1.437	10	0		GDAEMO
O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1COCC[NH2+]1	ZINC000237707181	531049514	/nfs/dbraw/zinc/04/95/14/531049514.db2.gz	MIASBNDRUWZTKF-PWSUYJOCSA-N	1	1	378.782	1.437	10	0		GDAEMO
CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000245537055	531058129	/nfs/dbraw/zinc/05/81/29/531058129.db2.gz	LYZCKENXURHQAM-HZPDHXFCSA-N	1	1	376.906	1.231	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O	ZINC000247225926	531073480	/nfs/dbraw/zinc/07/34/80/531073480.db2.gz	YVJYSHRKKVHYQB-WFASDCNBSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247225926	531073483	/nfs/dbraw/zinc/07/34/83/531073483.db2.gz	YVJYSHRKKVHYQB-WFASDCNBSA-N	1	1	398.301	1.691	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000247217641	531073532	/nfs/dbraw/zinc/07/35/32/531073532.db2.gz	YGQOKDKNMJTIAU-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)ccc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000247217641	531073538	/nfs/dbraw/zinc/07/35/38/531073538.db2.gz	YGQOKDKNMJTIAU-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000247546916	531075529	/nfs/dbraw/zinc/07/55/29/531075529.db2.gz	YXHJLNLXDQIWCT-YDHLFZDLSA-N	1	1	385.917	1.702	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)C[C@@H]1C	ZINC000246917637	531070410	/nfs/dbraw/zinc/07/04/10/531070410.db2.gz	AKDYLARHXXRUIZ-DZKIICNBSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1ccc(Br)s1	ZINC000247085433	531071799	/nfs/dbraw/zinc/07/17/99/531071799.db2.gz	HYVWSONDABJPLV-QWRGUYRKSA-N	1	1	386.315	1.936	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000247105238	531071893	/nfs/dbraw/zinc/07/18/93/531071893.db2.gz	QRLIIOWDNVELAG-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1ccc(Br)cc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000247105238	531071895	/nfs/dbraw/zinc/07/18/95/531071895.db2.gz	QRLIIOWDNVELAG-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C	ZINC000247111447	531071950	/nfs/dbraw/zinc/07/19/50/531071950.db2.gz	RCBXEDDHFRCIBP-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2ccccc2Br)C[C@@H]1C	ZINC000247111447	531071954	/nfs/dbraw/zinc/07/19/54/531071954.db2.gz	RCBXEDDHFRCIBP-RYUDHWBXSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H]1CN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@H]1[NH+]1CCOCC1	ZINC000156087650	531204015	/nfs/dbraw/zinc/20/40/15/531204015.db2.gz	LNEHOBWBEAXYHC-BXUZGUMPSA-N	1	1	399.289	1.332	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(Cc3nnc(-c4ccc(Br)o4)o3)[C@H]2C1	ZINC000408037276	531213626	/nfs/dbraw/zinc/21/36/26/531213626.db2.gz	BBOUQNQKUAIZST-WDEREUQCSA-N	1	1	383.246	1.997	10	0		GDAEMO
CN(CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)C(=O)c1ccc(Br)o1	ZINC000408145807	531221464	/nfs/dbraw/zinc/22/14/64/531221464.db2.gz	VQWHGCPXFSWGPW-NEPJUHHUSA-N	1	1	384.274	1.667	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(C)c1I	ZINC000293240180	531410609	/nfs/dbraw/zinc/41/06/09/531410609.db2.gz	OLDYAJJNGIIJQR-JTQLQIEISA-N	1	1	376.242	1.581	10	0		GDAEMO
O=C(c1ccc(F)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1	ZINC000064605588	222077112	/nfs/dbraw/zinc/07/71/12/222077112.db2.gz	AOSOANRSRHSSDV-UHFFFAOYSA-N	1	1	397.516	1.836	10	0		GDAEMO
COCCN(C[C@H]1C[N@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000169678409	570600100	/nfs/dbraw/zinc/60/01/00/570600100.db2.gz	LWKAOHJBCXNHAN-RTBURBONSA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCN(C[C@H]1C[N@@H+](C[C@@H](O)C(C)C)CCO1)C(=O)c1ccc(F)cc1	ZINC000169678409	570600103	/nfs/dbraw/zinc/60/01/03/570600103.db2.gz	LWKAOHJBCXNHAN-RTBURBONSA-N	1	1	382.476	1.632	10	0		GDAEMO
COCCC(=O)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000065293307	570959464	/nfs/dbraw/zinc/95/94/64/570959464.db2.gz	UIZSOPHMZBKIAW-GOSISDBHSA-N	1	1	377.460	1.497	10	0		GDAEMO
COCCC(=O)N1CCC[N@H+]([C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1	ZINC000065293307	570959467	/nfs/dbraw/zinc/95/94/67/570959467.db2.gz	UIZSOPHMZBKIAW-GOSISDBHSA-N	1	1	377.460	1.497	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccnc(Br)c1	ZINC000119806988	644662775	/nfs/dbraw/zinc/66/27/75/644662775.db2.gz	PQGIYGNCANDATD-INIZCTEOSA-N	1	1	390.281	1.993	10	0		GDAEMO
Cc1nn(C)c(C)c1C[NH+]1CCN(Cn2nc(N(C)C)sc2=S)CC1	ZINC000152668431	644789631	/nfs/dbraw/zinc/78/96/31/644789631.db2.gz	YVITVSCZGYMTLQ-UHFFFAOYSA-N	1	1	381.575	1.866	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C	ZINC000173953659	644894806	/nfs/dbraw/zinc/89/48/06/644894806.db2.gz	RMDFIGWCAYYELQ-QWHCGFSZSA-N	1	1	399.285	1.554	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc(C=O)cc2Br)C[C@@H]1C	ZINC000173953659	644894813	/nfs/dbraw/zinc/89/48/13/644894813.db2.gz	RMDFIGWCAYYELQ-QWHCGFSZSA-N	1	1	399.285	1.554	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000897747748	658886034	/nfs/dbraw/zinc/88/60/34/658886034.db2.gz	NVJFMDGJNFYGBD-IJLUTSLNSA-N	1	1	385.452	1.140	10	0		GDAEMO
CN(C)S(=O)(=O)[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H]1C(F)(F)F	ZINC000897747748	658886042	/nfs/dbraw/zinc/88/60/42/658886042.db2.gz	NVJFMDGJNFYGBD-IJLUTSLNSA-N	1	1	385.452	1.140	10	0		GDAEMO
NS(=O)(=O)c1ccc(CCNC(=O)C23CC(C2)C[N@H+]3Cc2ccccc2)cc1	ZINC000097124367	231002136	/nfs/dbraw/zinc/00/21/36/231002136.db2.gz	JVCHFUPRTBANQH-UHFFFAOYSA-N	1	1	399.516	1.657	10	0		GDAEMO
CN1CCO[C@H](CNC(=O)c2cc(I)ccc2[O-])C1	ZINC000171289291	530597194	/nfs/dbraw/zinc/59/71/94/530597194.db2.gz	GNELWMVOKJKHBH-SNVBAGLBSA-N	1	1	376.194	1.057	10	0		GDAEMO
COCC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@H](C)C(N)=O	ZINC000171577933	530600608	/nfs/dbraw/zinc/60/06/08/530600608.db2.gz	LVUJMRTXHWBOKN-YPMHNXCESA-N	1	1	375.263	1.011	10	0		GDAEMO
COCC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@H](C)C(N)=O	ZINC000171577933	530600610	/nfs/dbraw/zinc/60/06/10/530600610.db2.gz	LVUJMRTXHWBOKN-YPMHNXCESA-N	1	1	375.263	1.011	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000172253879	530610331	/nfs/dbraw/zinc/61/03/31/530610331.db2.gz	QEAWRPQRXDNMKS-DZGCQCFKSA-N	1	1	385.917	1.992	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2c[nH]c(=O)c(Br)c2)C[C@H]1CC	ZINC000173790106	530637193	/nfs/dbraw/zinc/63/71/93/530637193.db2.gz	CHBUMBZYMNEFCM-CYBMUJFWSA-N	1	1	386.290	1.710	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000176991464	530695436	/nfs/dbraw/zinc/69/54/36/530695436.db2.gz	MVMPVUNSGWLLCU-GJZGRUSLSA-N	1	1	385.555	1.844	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C	ZINC000177610873	530707152	/nfs/dbraw/zinc/70/71/52/530707152.db2.gz	UAVIYGWLAXRPOA-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2)C[C@H]1C	ZINC000177610873	530707154	/nfs/dbraw/zinc/70/71/54/530707154.db2.gz	UAVIYGWLAXRPOA-VXGBXAGGSA-N	1	1	384.274	1.301	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000178538776	530722418	/nfs/dbraw/zinc/72/24/18/530722418.db2.gz	CNRSJGVCDKIQKV-GFCCVEGCSA-N	1	1	380.246	1.602	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)c(Br)n1	ZINC000179618852	530745499	/nfs/dbraw/zinc/74/54/99/530745499.db2.gz	ANCBUUKEBFJVSE-UHFFFAOYSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2ccccc2Br)cn1	ZINC000181453554	530783768	/nfs/dbraw/zinc/78/37/68/530783768.db2.gz	DQJHEIWREZQBEC-CQSZACIVSA-N	1	1	379.258	1.735	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000106393557	530847864	/nfs/dbraw/zinc/84/78/64/530847864.db2.gz	OIUXGWOPTUZLFX-CYBMUJFWSA-N	1	1	388.295	1.638	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@@H+]1CCOC	ZINC000117299978	530911714	/nfs/dbraw/zinc/91/17/14/530911714.db2.gz	ZATSKZZTTBVHCS-LBPRGKRZSA-N	1	1	391.253	1.802	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1CCOC	ZINC000117299978	530911716	/nfs/dbraw/zinc/91/17/16/530911716.db2.gz	ZATSKZZTTBVHCS-LBPRGKRZSA-N	1	1	391.253	1.802	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000188121079	530885572	/nfs/dbraw/zinc/88/55/72/530885572.db2.gz	NWZFRIYYFXQJOV-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1	ZINC000188121079	530885576	/nfs/dbraw/zinc/88/55/76/530885576.db2.gz	NWZFRIYYFXQJOV-CHWSQXEVSA-N	1	1	398.301	1.610	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC	ZINC000117526336	530913575	/nfs/dbraw/zinc/91/35/75/530913575.db2.gz	LNQQYLLIOWJNPW-HNNXBMFYSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1CCOC	ZINC000117526336	530913576	/nfs/dbraw/zinc/91/35/76/530913576.db2.gz	LNQQYLLIOWJNPW-HNNXBMFYSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(Br)c2C)CC1	ZINC000189451370	530913656	/nfs/dbraw/zinc/91/36/56/530913656.db2.gz	XWVFBSFWCOMZHV-CYBMUJFWSA-N	1	1	398.301	1.611	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1N1CCOCC1	ZINC000246458624	531067722	/nfs/dbraw/zinc/06/77/22/531067722.db2.gz	NHXYSDGTPUYIIT-QGPMSJSTSA-N	1	1	399.329	1.841	10	0		GDAEMO
C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc(Br)c2)C[C@H]1N1CCOCC1	ZINC000246570848	531068364	/nfs/dbraw/zinc/06/83/64/531068364.db2.gz	VMRUTNNLLFSWEN-QGPMSJSTSA-N	1	1	399.329	1.841	10	0		GDAEMO
C[C@H](NS(C)(=O)=O)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245653092	531060171	/nfs/dbraw/zinc/06/01/71/531060171.db2.gz	CWMFEPNZWJALBG-NVBFEUDRSA-N	1	1	391.896	1.526	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000247404449	531074764	/nfs/dbraw/zinc/07/47/64/531074764.db2.gz	PPHPMJHCGCOYTF-KGLIPLIRSA-N	1	1	383.539	1.841	10	0		GDAEMO
CC[N@H+](C[C@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249306165	531086458	/nfs/dbraw/zinc/08/64/58/531086458.db2.gz	GRBDXDIGLRCJBK-KBPBESRZSA-N	1	1	392.315	1.698	10	0		GDAEMO
CC[N@@H+](C[C@H](O)COc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1	ZINC000249306165	531086463	/nfs/dbraw/zinc/08/64/63/531086463.db2.gz	GRBDXDIGLRCJBK-KBPBESRZSA-N	1	1	392.315	1.698	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000153929515	531174338	/nfs/dbraw/zinc/17/43/38/531174338.db2.gz	XOTBNPKWXWROCR-SNVBAGLBSA-N	1	1	377.869	1.683	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(Cc3nnc(-c4ccc(Br)o4)o3)[C@H]2C1	ZINC000408037275	531213534	/nfs/dbraw/zinc/21/35/34/531213534.db2.gz	BBOUQNQKUAIZST-QWRGUYRKSA-N	1	1	383.246	1.997	10	0		GDAEMO
C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114729	531219752	/nfs/dbraw/zinc/21/97/52/531219752.db2.gz	ZBGXETRDZNZSLJ-WDEREUQCSA-N	1	1	394.269	1.596	10	0		GDAEMO
C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)N1C(=O)c2ccc(Br)cc2C1=O	ZINC000408114729	531219757	/nfs/dbraw/zinc/21/97/57/531219757.db2.gz	ZBGXETRDZNZSLJ-WDEREUQCSA-N	1	1	394.269	1.596	10	0		GDAEMO
O=S(=O)(NC[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCC(F)(F)F)nc1	ZINC000328636669	212089282	/nfs/dbraw/zinc/08/92/82/212089282.db2.gz	VQLPKQZYVZFTCP-NSHDSACASA-N	1	1	390.387	1.760	10	0		GDAEMO
O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCCc1cn2cccnc2n1	ZINC000011818892	221127935	/nfs/dbraw/zinc/12/79/35/221127935.db2.gz	WAGUTPMUMNDULS-SFHVURJKSA-N	1	1	398.511	1.159	10	0		GDAEMO
COc1ccc(C[NH+]2CCCCC2)cc1OC[C@@H](O)CN1CCN(C)CC1	ZINC000095497150	222332541	/nfs/dbraw/zinc/33/25/41/222332541.db2.gz	APEBEWHZJUPGAV-IBGZPJMESA-N	1	1	377.529	1.668	10	0		GDAEMO
COc1cccc(CC(=O)N2CCC3(CC2)NC(=O)[C@H]2C[N@@H+](CC(C)C)C[C@H]23)c1	ZINC000096087663	222378740	/nfs/dbraw/zinc/37/87/40/222378740.db2.gz	JGUQBTGVPHPURS-VQTJNVASSA-N	1	1	399.535	1.933	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](CN(C)CC(=O)Nc2cc(C)nn2C)[C@@H]1c1cnn(C)c1	ZINC000583622984	570801586	/nfs/dbraw/zinc/80/15/86/570801586.db2.gz	FGAPTKSCTSBIGS-OXJNMPFZSA-N	1	1	387.532	1.806	10	0		GDAEMO
COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc(F)c1F	ZINC000246228883	645094160	/nfs/dbraw/zinc/09/41/60/645094160.db2.gz	MKKSOHWCCHYDEU-IINYFYTJSA-N	1	1	376.425	1.758	10	0		GDAEMO
[NH3+]C1(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)CC[NH+](Cc2ccccc2)CC1	ZINC000686816076	976118871	/nfs/dbraw/zinc/11/88/71/976118871.db2.gz	VHRPVTPWLXFQTR-KRWDZBQOSA-N	1	1	375.469	1.072	10	0		GDAEMO
Cc1[nH]c(=O)c(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)cc1Br	ZINC000163181527	530574108	/nfs/dbraw/zinc/57/41/08/530574108.db2.gz	ZLWBFTSXIXHNIH-IINYFYTJSA-N	1	1	384.274	1.651	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cn1cc(Br)ccc1=O	ZINC000177173166	530698666	/nfs/dbraw/zinc/69/86/66/530698666.db2.gz	FNOHCOWEISFANE-CQSZACIVSA-N	1	1	379.258	1.807	10	0		GDAEMO
Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)C(=O)Nc1cccnc1Br	ZINC000179851806	530751809	/nfs/dbraw/zinc/75/18/09/530751809.db2.gz	CYOYIJVLWMSKAZ-GFCCVEGCSA-N	1	1	392.257	1.979	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C	ZINC000180123997	530758460	/nfs/dbraw/zinc/75/84/60/530758460.db2.gz	MBKMRMGIFCRUFK-VHSXEESVSA-N	1	1	375.803	1.470	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)Nc2c(F)cc(Cl)cc2F)C[C@@H]1C	ZINC000180123997	530758463	/nfs/dbraw/zinc/75/84/63/530758463.db2.gz	MBKMRMGIFCRUFK-VHSXEESVSA-N	1	1	375.803	1.470	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@@H+]1CCOC	ZINC000179725632	530748669	/nfs/dbraw/zinc/74/86/69/530748669.db2.gz	RLPZHXNHAFOXIL-GFCCVEGCSA-N	1	1	399.289	1.352	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccnc2Br)CC[N@H+]1CCOC	ZINC000179725632	530748672	/nfs/dbraw/zinc/74/86/72/530748672.db2.gz	RLPZHXNHAFOXIL-GFCCVEGCSA-N	1	1	399.289	1.352	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2ccc(Br)cc2)cn1	ZINC000181344883	530781828	/nfs/dbraw/zinc/78/18/28/530781828.db2.gz	YJXNXOKZKAYPRU-OAHLLOKOSA-N	1	1	379.258	1.735	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cnc1Br	ZINC000182815983	530805445	/nfs/dbraw/zinc/80/54/45/530805445.db2.gz	LIXISDLAVYSUDB-CYBMUJFWSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cnc1Br	ZINC000182815983	530805448	/nfs/dbraw/zinc/80/54/48/530805448.db2.gz	LIXISDLAVYSUDB-CYBMUJFWSA-N	1	1	381.274	1.788	10	0		GDAEMO
COCC[N@H+]1CCN(Cc2nnnn2-c2ccccc2Br)C[C@H]1C	ZINC000106106910	530846760	/nfs/dbraw/zinc/84/67/60/530846760.db2.gz	AZUPYRFPSXJRGY-CYBMUJFWSA-N	1	1	395.305	1.577	10	0		GDAEMO
CCc1nc2n(n1)C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)CC2	ZINC000112551269	530882529	/nfs/dbraw/zinc/88/25/29/530882529.db2.gz	YVHRXTURELCCCJ-DOMZBBRYSA-N	1	1	378.274	1.734	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000113233588	530887816	/nfs/dbraw/zinc/88/78/16/530887816.db2.gz	VBDPDXZURSSPCM-DZGCQCFKSA-N	1	1	385.917	1.656	10	0		GDAEMO
O=C(CCNS(=O)(=O)c1ccccc1Cl)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000195320138	531020982	/nfs/dbraw/zinc/02/09/82/531020982.db2.gz	NPDAKJIQZQMBKU-CQSZACIVSA-N	1	1	385.917	1.705	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000245802727	531061010	/nfs/dbraw/zinc/06/10/10/531061010.db2.gz	PNSDFORQBHDSJZ-QWRGUYRKSA-N	1	1	389.880	1.825	10	0		GDAEMO
CCS(=O)(=O)NCCC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1	ZINC000132643677	531082903	/nfs/dbraw/zinc/08/29/03/531082903.db2.gz	IAXNVQKCXZEXHX-OAHLLOKOSA-N	1	1	375.560	1.383	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1C	ZINC000156138900	531204102	/nfs/dbraw/zinc/20/41/02/531204102.db2.gz	LIOLDIDKRYYGBW-NSHDSACASA-N	1	1	387.278	1.332	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)Nc2cc(Br)c(=O)n(C)c2)C[C@@H]1C	ZINC000156138900	531204103	/nfs/dbraw/zinc/20/41/03/531204103.db2.gz	LIOLDIDKRYYGBW-NSHDSACASA-N	1	1	387.278	1.332	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@H]3C)C2)s1	ZINC000408111758	531219439	/nfs/dbraw/zinc/21/94/39/531219439.db2.gz	DWYXWZYVYIZBNI-UKRRQHHQSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@H]3C)C2)s1	ZINC000408111758	531219446	/nfs/dbraw/zinc/21/94/46/531219446.db2.gz	DWYXWZYVYIZBNI-UKRRQHHQSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@@H+](C)C[C@@H]3C)C2)s1	ZINC000408111756	531220141	/nfs/dbraw/zinc/22/01/41/531220141.db2.gz	DWYXWZYVYIZBNI-DZGCQCFKSA-N	1	1	385.555	1.620	10	0		GDAEMO
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[N@H+](C)C[C@@H]3C)C2)s1	ZINC000408111756	531220148	/nfs/dbraw/zinc/22/01/48/531220148.db2.gz	DWYXWZYVYIZBNI-DZGCQCFKSA-N	1	1	385.555	1.620	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F	ZINC000408151526	531222312	/nfs/dbraw/zinc/22/23/12/531222312.db2.gz	RARATUUPSLMSMB-AAEUAGOBSA-N	1	1	391.490	1.054	10	0		GDAEMO
CN1CC[N@@H+](C)[C@H](CC(=O)N2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)C1	ZINC000048140038	570218847	/nfs/dbraw/zinc/21/88/47/570218847.db2.gz	NQAFDBSVZBLFAV-OAHLLOKOSA-N	1	1	397.479	1.326	10	0		GDAEMO
CN1CC[N@H+](C)C[C@H]1CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1	ZINC000048140038	570218848	/nfs/dbraw/zinc/21/88/48/570218848.db2.gz	NQAFDBSVZBLFAV-OAHLLOKOSA-N	1	1	397.479	1.326	10	0		GDAEMO
CN1CC[N@@H+](C)C[C@H]1CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1	ZINC000048140038	570218849	/nfs/dbraw/zinc/21/88/49/570218849.db2.gz	NQAFDBSVZBLFAV-OAHLLOKOSA-N	1	1	397.479	1.326	10	0		GDAEMO
C[N@H+]1CCN(c2cc(C(F)(F)F)ccn2)C[C@]12CCC(=O)N(CCO)CC2	ZINC000225260949	570559878	/nfs/dbraw/zinc/55/98/78/570559878.db2.gz	JCRPVWHYUZEFJQ-QGZVFWFLSA-N	1	1	386.418	1.596	10	0		GDAEMO
COCCN1CC[C@@H]([N@@H+]2CCCN(C(=O)Cc3ccccc3F)CC2)C1=O	ZINC000169792412	570697551	/nfs/dbraw/zinc/69/75/51/570697551.db2.gz	JYTYUGAYDLHOHU-GOSISDBHSA-N	1	1	377.460	1.150	10	0		GDAEMO
COCCN1CC[C@@H]([N@H+]2CCCN(C(=O)Cc3ccccc3F)CC2)C1=O	ZINC000169792412	570697552	/nfs/dbraw/zinc/69/75/52/570697552.db2.gz	JYTYUGAYDLHOHU-GOSISDBHSA-N	1	1	377.460	1.150	10	0		GDAEMO
O=C(NCc1ccccn1)[C@@H]1C[NH2+]CCN1C(=O)c1cnc2ccccc2c1	ZINC000072144610	570871097	/nfs/dbraw/zinc/87/10/97/570871097.db2.gz	FSZHESUTDKNJJX-IBGZPJMESA-N	1	1	375.432	1.360	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1	ZINC000893767683	658445035	/nfs/dbraw/zinc/44/50/35/658445035.db2.gz	GSUHDRXFNFDSCV-VXGBXAGGSA-N	1	1	385.262	1.325	10	0		GDAEMO
CCOC(=O)c1ncc(Br)c(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)n1	ZINC000893767683	658445041	/nfs/dbraw/zinc/44/50/41/658445041.db2.gz	GSUHDRXFNFDSCV-VXGBXAGGSA-N	1	1	385.262	1.325	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@@H+]2CCCC[C@@H]2C1	ZINC000162152592	530566702	/nfs/dbraw/zinc/56/67/02/530566702.db2.gz	HMNPKBSVCPHXBL-CYBMUJFWSA-N	1	1	394.273	1.992	10	0		GDAEMO
O=C(c1cc(Cn2cc(Br)cn2)on1)N1CC[N@H+]2CCCC[C@@H]2C1	ZINC000162152592	530566704	/nfs/dbraw/zinc/56/67/04/530566704.db2.gz	HMNPKBSVCPHXBL-CYBMUJFWSA-N	1	1	394.273	1.992	10	0		GDAEMO
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000162446682	530568149	/nfs/dbraw/zinc/56/81/49/530568149.db2.gz	MBIXYKIHLQEVNW-SNVBAGLBSA-N	1	1	375.853	1.437	10	0		GDAEMO
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1	ZINC000162446682	530568150	/nfs/dbraw/zinc/56/81/50/530568150.db2.gz	MBIXYKIHLQEVNW-SNVBAGLBSA-N	1	1	375.853	1.437	10	0		GDAEMO
Cn1cc[nH+]c1CC1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1	ZINC000162490145	530568985	/nfs/dbraw/zinc/56/89/85/530568985.db2.gz	IOSSZYGWYYATJQ-UHFFFAOYSA-N	1	1	393.285	1.826	10	0		GDAEMO
C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@@H+]1CCS[C@@H](C)C1	ZINC000171699747	530602063	/nfs/dbraw/zinc/60/20/63/530602063.db2.gz	CZBKDEPCAOWDLP-UWVGGRQHSA-N	1	1	375.416	1.984	10	0		GDAEMO
C[C@@H](C(=O)NCC(=O)Nc1ccc(F)c(F)c1F)[N@H+]1CCS[C@@H](C)C1	ZINC000171699747	530602064	/nfs/dbraw/zinc/60/20/64/530602064.db2.gz	CZBKDEPCAOWDLP-UWVGGRQHSA-N	1	1	375.416	1.984	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c(Br)n1	ZINC000179840977	530751128	/nfs/dbraw/zinc/75/11/28/530751128.db2.gz	IOAJYEOKLNZNOW-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1ccc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(Br)n1	ZINC000179840977	530751129	/nfs/dbraw/zinc/75/11/29/530751129.db2.gz	IOAJYEOKLNZNOW-GFCCVEGCSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc(I)c[nH]2)cn1	ZINC000181373124	530782194	/nfs/dbraw/zinc/78/21/94/530782194.db2.gz	NNRZNOQDFYVDFE-GFCCVEGCSA-N	1	1	385.209	1.140	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1	ZINC000106393555	530847844	/nfs/dbraw/zinc/84/78/44/530847844.db2.gz	OIUXGWOPTUZLFX-ZDUSSCGKSA-N	1	1	388.295	1.638	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1sccc1S(=O)(=O)N1CCCC1	ZINC000113226413	530887668	/nfs/dbraw/zinc/88/76/68/530887668.db2.gz	PPHPMJHCGCOYTF-ZIAGYGMSSA-N	1	1	383.539	1.841	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@@H+]1CCOC	ZINC000117526236	530913393	/nfs/dbraw/zinc/91/33/93/530913393.db2.gz	GQTYBVRIPWJCDC-ZDUSSCGKSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2Br)CC[N@H+]1CCOC	ZINC000117526236	530913396	/nfs/dbraw/zinc/91/33/96/530913396.db2.gz	GQTYBVRIPWJCDC-ZDUSSCGKSA-N	1	1	398.301	1.957	10	0		GDAEMO
COCCCCS(=O)(=O)N1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000192934725	530976230	/nfs/dbraw/zinc/97/62/30/530976230.db2.gz	WTHUIIPYIUPNSH-HNNXBMFYSA-N	1	1	375.560	1.962	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000193471464	530987365	/nfs/dbraw/zinc/98/73/65/530987365.db2.gz	GYLKPEBNEWICEH-WDEREUQCSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000193471464	530987367	/nfs/dbraw/zinc/98/73/67/530987367.db2.gz	GYLKPEBNEWICEH-WDEREUQCSA-N	1	1	399.289	1.005	10	0		GDAEMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Cl	ZINC000195044154	531014091	/nfs/dbraw/zinc/01/40/91/531014091.db2.gz	RIQYRQCGSJFBDW-AWEZNQCLSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1Cl	ZINC000195044154	531014094	/nfs/dbraw/zinc/01/40/94/531014094.db2.gz	RIQYRQCGSJFBDW-AWEZNQCLSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1	ZINC000195075450	531015025	/nfs/dbraw/zinc/01/50/25/531015025.db2.gz	YKNUANABTUZUEZ-CYBMUJFWSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1	ZINC000195075450	531015027	/nfs/dbraw/zinc/01/50/27/531015027.db2.gz	YKNUANABTUZUEZ-CYBMUJFWSA-N	1	1	385.917	1.901	10	0		GDAEMO
C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000195335751	531021407	/nfs/dbraw/zinc/02/14/07/531021407.db2.gz	JLKNRZDSZLNCNP-GHMZBOCLSA-N	1	1	386.315	1.936	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Br)c(C)n2)CC1	ZINC000194120444	530999930	/nfs/dbraw/zinc/99/99/30/530999930.db2.gz	XYUZONZCHDNYMR-GFCCVEGCSA-N	1	1	399.289	1.006	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1	ZINC000249153250	531084789	/nfs/dbraw/zinc/08/47/89/531084789.db2.gz	YWOCHAOJLBRLCC-MNOVXSKESA-N	1	1	386.290	1.688	10	0		GDAEMO
COc1nc(C)c(Br)cc1C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1	ZINC000249153250	531084794	/nfs/dbraw/zinc/08/47/94/531084794.db2.gz	YWOCHAOJLBRLCC-MNOVXSKESA-N	1	1	386.290	1.688	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)C[C@H]1C	ZINC000249383168	531086171	/nfs/dbraw/zinc/08/61/71/531086171.db2.gz	VVCCQGOQYURTIP-KEYYUXOJSA-N	1	1	396.329	1.941	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000246973564	531070870	/nfs/dbraw/zinc/07/08/70/531070870.db2.gz	NROXMFFLVSQSBS-NEPJUHHUSA-N	1	1	379.262	1.586	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@H]2C1	ZINC000284356269	531951141	/nfs/dbraw/zinc/95/11/41/531951141.db2.gz	AXJPWRXXEAORBJ-GXTWGEPZSA-N	1	1	380.388	1.521	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc(OC(F)F)c(F)c3)[C@H]2C1	ZINC000284356269	531951145	/nfs/dbraw/zinc/95/11/45/531951145.db2.gz	AXJPWRXXEAORBJ-GXTWGEPZSA-N	1	1	380.388	1.521	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1Cl	ZINC000284894560	532003965	/nfs/dbraw/zinc/00/39/65/532003965.db2.gz	FWDKHUHQIZOPBE-JKSUJKDBSA-N	1	1	387.889	1.392	10	0		GDAEMO
CC(=O)Nc1ccc(S(=O)(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)cc1Cl	ZINC000284894560	532003968	/nfs/dbraw/zinc/00/39/68/532003968.db2.gz	FWDKHUHQIZOPBE-JKSUJKDBSA-N	1	1	387.889	1.392	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Br)cc4nc[nH]c43)[C@H]2C1	ZINC000284999557	532017376	/nfs/dbraw/zinc/01/73/76/532017376.db2.gz	NCYMGZZOHYTDGU-UONOGXRCSA-N	1	1	379.258	1.871	10	0		GDAEMO
CC[NH+]1CCN(C(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2Cl)CC1	ZINC000012024129	221143510	/nfs/dbraw/zinc/14/35/10/221143510.db2.gz	ZDBAEAHITAFAOO-LBPRGKRZSA-N	1	1	399.900	1.430	10	0		GDAEMO
COC(=O)c1ccc2c(c1)nc(N1CC[NH+](C)CC1)n(-c1ccccc1)c2=O	ZINC000065306553	136162957	/nfs/dbraw/zinc/16/29/57/136162957.db2.gz	SQKXQFDPBWVMAC-UHFFFAOYSA-N	1	1	378.432	1.924	10	0		GDAEMO
O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CC(=O)N(Cc2ccncc2)C1	ZINC000065375453	222126782	/nfs/dbraw/zinc/12/67/82/222126782.db2.gz	WARRNWJNUZCZGP-FQEVSTJZSA-N	1	1	378.476	1.605	10	0		GDAEMO
Nc1nc2c(s1)C[N@@H+](C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)CC2	ZINC000067723261	222155516	/nfs/dbraw/zinc/15/55/16/222155516.db2.gz	YXLAHLRWBZNMTI-FQEVSTJZSA-N	1	1	386.521	1.680	10	0		GDAEMO
CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000077302588	222277506	/nfs/dbraw/zinc/27/75/06/222277506.db2.gz	PMLIJXXZFCRLES-ZDUSSCGKSA-N	1	1	383.514	1.627	10	0	in-vitro	GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(S(=O)(=O)CC)c(N)cc1OC	ZINC000077302588	222277509	/nfs/dbraw/zinc/27/75/09/222277509.db2.gz	PMLIJXXZFCRLES-ZDUSSCGKSA-N	1	1	383.514	1.627	10	0	in-vitro	GDAEMO
CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)CCCCC1	ZINC000095347066	528664968	/nfs/dbraw/zinc/66/49/68/528664968.db2.gz	JZMUANKLMVOQQW-KRWDZBQOSA-N	1	1	393.528	1.892	10	0		GDAEMO
CCOC(=O)CC1(NC(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)CCCCC1	ZINC000095347066	528664975	/nfs/dbraw/zinc/66/49/75/528664975.db2.gz	JZMUANKLMVOQQW-KRWDZBQOSA-N	1	1	393.528	1.892	10	0		GDAEMO
O=C(NCCc1ccccc1)N1CCC[N@@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1	ZINC000097078047	570664395	/nfs/dbraw/zinc/66/43/95/570664395.db2.gz	IPHCCUOWRAAHAX-HXUWFJFHSA-N	1	1	384.524	1.957	10	0		GDAEMO
O=C(NCCc1ccccc1)N1CCC[N@H+]([C@@H]2CCN(CC3CC3)C2=O)CC1	ZINC000097078047	570664397	/nfs/dbraw/zinc/66/43/97/570664397.db2.gz	IPHCCUOWRAAHAX-HXUWFJFHSA-N	1	1	384.524	1.957	10	0		GDAEMO
COCCN(C)c1cnn([C@H]2CCC[N@@H+](C[C@H](O)c3ccccc3)C2)c(=O)c1	ZINC000583619588	570800649	/nfs/dbraw/zinc/80/06/49/570800649.db2.gz	YOLUBIKLQHUYEA-ICSRJNTNSA-N	1	1	386.496	1.696	10	0		GDAEMO
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000091849003	571033293	/nfs/dbraw/zinc/03/32/93/571033293.db2.gz	JNPRNNWARTYIHH-HZPDHXFCSA-N	1	1	381.498	1.160	10	0		GDAEMO
CN(C)S(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@@H+](Cc1ccc3c(c1)OCCO3)C2	ZINC000091849003	571033295	/nfs/dbraw/zinc/03/32/95/571033295.db2.gz	JNPRNNWARTYIHH-HZPDHXFCSA-N	1	1	381.498	1.160	10	0		GDAEMO
CC(C)[N@H+](CCS(C)(=O)=O)C[C@@H](O)COc1cccc(Br)c1	ZINC000178999715	644930239	/nfs/dbraw/zinc/93/02/39/644930239.db2.gz	WWFGJOWINOCILD-CQSZACIVSA-N	1	1	394.331	1.944	10	0		GDAEMO
CC(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)COc1cccc(Br)c1	ZINC000178999715	644930242	/nfs/dbraw/zinc/93/02/42/644930242.db2.gz	WWFGJOWINOCILD-CQSZACIVSA-N	1	1	394.331	1.944	10	0		GDAEMO
COC(=O)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccc(Br)c1	ZINC000174743904	530654061	/nfs/dbraw/zinc/65/40/61/530654061.db2.gz	QBHNZKFORUPTKP-KBPBESRZSA-N	1	1	385.258	1.500	10	0		GDAEMO
COC(=O)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccc(Br)c1	ZINC000174743904	530654064	/nfs/dbraw/zinc/65/40/64/530654064.db2.gz	QBHNZKFORUPTKP-KBPBESRZSA-N	1	1	385.258	1.500	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCNS(=O)(=O)c1ccccc1Cl	ZINC000177422919	530703182	/nfs/dbraw/zinc/70/31/82/530703182.db2.gz	IOBSSXBDVXYBBE-AWEZNQCLSA-N	1	1	387.933	1.951	10	0		GDAEMO
C[C@@H]1CN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1[NH+]1CCOCC1	ZINC000177969154	530713951	/nfs/dbraw/zinc/71/39/51/530713951.db2.gz	KZZXYEASHADYSR-BXUZGUMPSA-N	1	1	399.289	1.332	10	0		GDAEMO
O=C(Nc1cc(F)c(Br)cc1F)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000178738921	530726783	/nfs/dbraw/zinc/72/67/83/530726783.db2.gz	MXMDWJYLKULBSL-VIFPVBQESA-N	1	1	388.212	1.972	10	0		GDAEMO
COc1ccc(Br)cc1CC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1	ZINC000181352787	530782042	/nfs/dbraw/zinc/78/20/42/530782042.db2.gz	NGLIIOCEVYQRCT-OAHLLOKOSA-N	1	1	393.285	1.907	10	0		GDAEMO
C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184720297	530831153	/nfs/dbraw/zinc/83/11/53/530831153.db2.gz	QGSOFQPAZIGIPV-OASPWFOLSA-N	1	1	390.221	1.046	10	0		GDAEMO
C[C@H](C(=O)Nc1cccc(I)c1)[N@H+]1C[C@H](O)C[C@@H]1CO	ZINC000184720297	530831156	/nfs/dbraw/zinc/83/11/56/530831156.db2.gz	QGSOFQPAZIGIPV-OASPWFOLSA-N	1	1	390.221	1.046	10	0		GDAEMO
CC[C@@H]1CN([C@H](C(N)=O)c2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O	ZINC000106101532	530846241	/nfs/dbraw/zinc/84/62/41/530846241.db2.gz	MJDFMJGWRSDGJG-WQVCFCJDSA-N	1	1	384.318	1.753	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000117275487	530911737	/nfs/dbraw/zinc/91/17/37/530911737.db2.gz	JCGANZQGPZTZAE-LLVKDONJSA-N	1	1	391.253	1.802	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@H]1C	ZINC000117275487	530911739	/nfs/dbraw/zinc/91/17/39/530911739.db2.gz	JCGANZQGPZTZAE-LLVKDONJSA-N	1	1	391.253	1.802	10	0		GDAEMO
O=C1CCCN1C[C@H](O)C[N@@H+](CCO)Cc1cc(Br)ccc1F	ZINC000111689861	530877289	/nfs/dbraw/zinc/87/72/89/530877289.db2.gz	NMPWINQSUBPWLU-CQSZACIVSA-N	1	1	389.265	1.366	10	0		GDAEMO
O=C1CCCN1C[C@H](O)C[N@H+](CCO)Cc1cc(Br)ccc1F	ZINC000111689861	530877291	/nfs/dbraw/zinc/87/72/91/530877291.db2.gz	NMPWINQSUBPWLU-CQSZACIVSA-N	1	1	389.265	1.366	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1	ZINC000113225400	530887463	/nfs/dbraw/zinc/88/74/63/530887463.db2.gz	LZPQCKIPBCHSJL-TZMCWYRMSA-N	1	1	385.917	1.899	10	0		GDAEMO
O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Br)cn1	ZINC000119859179	530932138	/nfs/dbraw/zinc/93/21/38/530932138.db2.gz	ISFLSSFBPQWDMP-INIZCTEOSA-N	1	1	390.281	1.993	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@@H+]1CCOC	ZINC000117526333	530913319	/nfs/dbraw/zinc/91/33/19/530913319.db2.gz	LNQQYLLIOWJNPW-OAHLLOKOSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(Br)c2)CC[N@H+]1CCOC	ZINC000117526333	530913323	/nfs/dbraw/zinc/91/33/23/530913323.db2.gz	LNQQYLLIOWJNPW-OAHLLOKOSA-N	1	1	398.301	1.957	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)cc2Br)CC1	ZINC000189455854	530913935	/nfs/dbraw/zinc/91/39/35/530913935.db2.gz	ISOAZASTSHVBRS-ZDUSSCGKSA-N	1	1	398.301	1.611	10	0		GDAEMO
Cn1nc(Br)cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1	ZINC000192195082	530964143	/nfs/dbraw/zinc/96/41/43/530964143.db2.gz	YDFOFXKJWGGVHO-UONOGXRCSA-N	1	1	393.285	1.548	10	0		GDAEMO
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1	ZINC000190711065	530936444	/nfs/dbraw/zinc/93/64/44/530936444.db2.gz	WKQZPKCQJIKEMW-JSGCOSHPSA-N	1	1	388.559	1.348	10	0		GDAEMO
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1	ZINC000190711065	530936448	/nfs/dbraw/zinc/93/64/48/530936448.db2.gz	WKQZPKCQJIKEMW-JSGCOSHPSA-N	1	1	388.559	1.348	10	0		GDAEMO
CC[N@@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2I)C1	ZINC000227203681	531032583	/nfs/dbraw/zinc/03/25/83/531032583.db2.gz	BLEDPWAYQQHHFF-LLVKDONJSA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[N@H+]1CCO[C@H](CNC(=O)c2ccc(F)cc2I)C1	ZINC000227203681	531032585	/nfs/dbraw/zinc/03/25/85/531032585.db2.gz	BLEDPWAYQQHHFF-LLVKDONJSA-N	1	1	392.212	1.881	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC[N@H+]1C[C@@H](C)O	ZINC000127809721	531033935	/nfs/dbraw/zinc/03/39/35/531033935.db2.gz	FGOMQCZGZSAECT-ZYHUDNBSSA-N	1	1	386.290	1.775	10	0		GDAEMO
C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCNS(=O)(=O)c2cccs2)C1	ZINC000245994757	531061995	/nfs/dbraw/zinc/06/19/95/531061995.db2.gz	RCUOPDLVEKZJGP-KBPBESRZSA-N	1	1	386.543	1.152	10	0		GDAEMO
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CNC(=O)c2ccc(Br)o2)C1	ZINC000248581928	531079727	/nfs/dbraw/zinc/07/97/27/531079727.db2.gz	SRWWGRUBKQSSOE-NWDGAFQWSA-N	1	1	384.274	1.715	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000248724128	531081229	/nfs/dbraw/zinc/08/12/29/531081229.db2.gz	GYLKPEBNEWICEH-QWRGUYRKSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000248724128	531081233	/nfs/dbraw/zinc/08/12/33/531081233.db2.gz	GYLKPEBNEWICEH-QWRGUYRKSA-N	1	1	399.289	1.005	10	0		GDAEMO
CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@H](O)COc2cccc(Br)c2)C1	ZINC000246998051	531070945	/nfs/dbraw/zinc/07/09/45/531070945.db2.gz	UDALQIMXCWGDBS-GDBMZVCRSA-N	1	1	385.302	1.989	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F	ZINC000155917040	531203556	/nfs/dbraw/zinc/20/35/56/531203556.db2.gz	XZBGWJRKWQHNFK-NXEZZACHSA-N	1	1	375.853	1.435	10	0		GDAEMO
COCCC[N@@H+](C)CCNC(=O)Nc1cc(Br)c(=O)n(C)c1	ZINC000156307365	531204684	/nfs/dbraw/zinc/20/46/84/531204684.db2.gz	QEHOAPWWJLZUST-UHFFFAOYSA-N	1	1	375.267	1.238	10	0		GDAEMO
C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@H]2C1	ZINC000408030560	531212963	/nfs/dbraw/zinc/21/29/63/531212963.db2.gz	ZVFQYUZAJNTRRZ-NWDGAFQWSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccccc3OC(F)(F)F)[C@H]2C1	ZINC000408030560	531212969	/nfs/dbraw/zinc/21/29/69/531212969.db2.gz	ZVFQYUZAJNTRRZ-NWDGAFQWSA-N	1	1	380.388	1.679	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@@H+]1CCOC[C@@H]1C	ZINC000301395227	532032454	/nfs/dbraw/zinc/03/24/54/532032454.db2.gz	LFKQXXJGGVIWGJ-QWRGUYRKSA-N	1	1	381.420	1.874	10	0		GDAEMO
C[C@@H](CNc1ccc(S(N)(=O)=O)cc1C(F)(F)F)[N@H+]1CCOC[C@@H]1C	ZINC000301395227	532032459	/nfs/dbraw/zinc/03/24/59/532032459.db2.gz	LFKQXXJGGVIWGJ-QWRGUYRKSA-N	1	1	381.420	1.874	10	0		GDAEMO
COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4ccc(=O)n(C)n4)C3)C2)c1	ZINC000012297251	221176259	/nfs/dbraw/zinc/17/62/59/221176259.db2.gz	NZMQKORMDSUKEN-JOCHJYFZSA-N	1	1	396.491	1.917	10	0		GDAEMO
O=C1CSc2ccc(S(=O)(=O)N3CC[NH+](C4CCCC4)CC3)cc2N1	ZINC000015677256	221339679	/nfs/dbraw/zinc/33/96/79/221339679.db2.gz	AJXSGYBKXUTDKT-UHFFFAOYSA-N	1	1	381.523	1.980	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)Cc2ccc(O)c(F)c2)C[N@H+]1C(C)C	ZINC000095500110	222334948	/nfs/dbraw/zinc/33/49/48/222334948.db2.gz	OBDZZCBZYXXOKY-WBVHZDCISA-N	1	1	379.476	1.910	10	0		GDAEMO
CC[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000004110956	570896395	/nfs/dbraw/zinc/89/63/95/570896395.db2.gz	SLEUKIGAACGSAF-HNNXBMFYSA-N	1	1	393.484	1.433	10	0		GDAEMO
CC(=O)c1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1Br	ZINC000180262301	644943630	/nfs/dbraw/zinc/94/36/30/644943630.db2.gz	GMDMGHHZGYEIKO-LLVKDONJSA-N	1	1	375.288	1.976	10	0		GDAEMO
Cc1nnsc1C[N@@H+]1C[C@H](C(=O)N2CCC(O)CC2)[C@@H](C(F)(F)F)C1	ZINC000888103224	657863296	/nfs/dbraw/zinc/86/32/96/657863296.db2.gz	QVBRESILJPNMFR-RYUDHWBXSA-N	1	1	378.420	1.440	10	0		GDAEMO
Cc1nnsc1C[N@H+]1C[C@H](C(=O)N2CCC(O)CC2)[C@@H](C(F)(F)F)C1	ZINC000888103224	657863310	/nfs/dbraw/zinc/86/33/10/657863310.db2.gz	QVBRESILJPNMFR-RYUDHWBXSA-N	1	1	378.420	1.440	10	0		GDAEMO
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1	ZINC000162446835	530567947	/nfs/dbraw/zinc/56/79/47/530567947.db2.gz	MBIXYKIHLQEVNW-JTQLQIEISA-N	1	1	375.853	1.437	10	0		GDAEMO
NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1	ZINC000162446835	530567949	/nfs/dbraw/zinc/56/79/49/530567949.db2.gz	MBIXYKIHLQEVNW-JTQLQIEISA-N	1	1	375.853	1.437	10	0		GDAEMO
O[C@H](COc1cccc(Br)c1)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173907478	530640192	/nfs/dbraw/zinc/64/01/92/530640192.db2.gz	ZVIAEXJZTIADDJ-HOTGVXAUSA-N	1	1	385.302	1.595	10	0		GDAEMO
C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000174286401	530646030	/nfs/dbraw/zinc/64/60/30/530646030.db2.gz	STCJBAIDJFQVQF-VHSXEESVSA-N	1	1	377.226	1.146	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(I)c[nH]2)C[C@@H]1C	ZINC000174286401	530646033	/nfs/dbraw/zinc/64/60/33/530646033.db2.gz	STCJBAIDJFQVQF-VHSXEESVSA-N	1	1	377.226	1.146	10	0		GDAEMO
COc1ccc(Br)c(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000175279967	530662731	/nfs/dbraw/zinc/66/27/31/530662731.db2.gz	JHZTXTONMHZNJP-LLVKDONJSA-N	1	1	375.288	1.926	10	0		GDAEMO
C[NH+](C)C[C@@H]1CN(CCS(=O)(=O)c2cccc(Br)c2)CCO1	ZINC000175653822	530668000	/nfs/dbraw/zinc/66/80/00/530668000.db2.gz	SNPLYRXYWCCTMU-CQSZACIVSA-N	1	1	391.331	1.485	10	0		GDAEMO
CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1	ZINC000177006578	530695526	/nfs/dbraw/zinc/69/55/26/530695526.db2.gz	CHXHNBUOTCSBOF-DZGCQCFKSA-N	1	1	387.933	1.950	10	0		GDAEMO
CCOCC[N@@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C	ZINC000179584938	530745222	/nfs/dbraw/zinc/74/52/22/530745222.db2.gz	SWDOGTQQRUMLPC-GFCCVEGCSA-N	1	1	396.289	1.675	10	0		GDAEMO
CCOCC[N@H+]1CCN(C(=O)c2cnn3cc(Br)cnc23)C[C@H]1C	ZINC000179584938	530745224	/nfs/dbraw/zinc/74/52/24/530745224.db2.gz	SWDOGTQQRUMLPC-GFCCVEGCSA-N	1	1	396.289	1.675	10	0		GDAEMO
CC(C)([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1Br	ZINC000181520385	530786071	/nfs/dbraw/zinc/78/60/71/530786071.db2.gz	VSXDXJXUEMLAFD-GFCCVEGCSA-N	1	1	382.302	1.998	10	0		GDAEMO
C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CC(=O)N(C)Cc1ccccc1Br	ZINC000103285947	530833994	/nfs/dbraw/zinc/83/39/94/530833994.db2.gz	VNZNOWGWHDKWBA-TZMCWYRMSA-N	1	1	382.302	1.993	10	0		GDAEMO
O=C(c1cc2c(cc1Br)NC(=O)CO2)N1CC[N@H+]2CCC[C@H]2C1	ZINC000183431475	530814616	/nfs/dbraw/zinc/81/46/16/530814616.db2.gz	BJASLHKRBYLANF-JTQLQIEISA-N	1	1	380.242	1.700	10	0		GDAEMO
CNC(=O)[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)C(C)C	ZINC000183643238	530818821	/nfs/dbraw/zinc/81/88/21/530818821.db2.gz	HFLFVFNRAHNXII-CYBMUJFWSA-N	1	1	377.304	1.583	10	0		GDAEMO
O=C(C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)NCc1cccs1	ZINC000188159466	530887056	/nfs/dbraw/zinc/88/70/56/530887056.db2.gz	SUOHCNBBSAHCBV-ZFWWWQNUSA-N	1	1	379.507	1.843	10	0		GDAEMO
O=C(C[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1)NC(=O)NCc1cccs1	ZINC000188159466	530887061	/nfs/dbraw/zinc/88/70/61/530887061.db2.gz	SUOHCNBBSAHCBV-ZFWWWQNUSA-N	1	1	379.507	1.843	10	0		GDAEMO
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000113226632	530887700	/nfs/dbraw/zinc/88/77/00/530887700.db2.gz	YXHJLNLXDQIWCT-KCQAQPDRSA-N	1	1	385.917	1.702	10	0		GDAEMO
C[C@H](NC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(Br)c1	ZINC000193334445	530984038	/nfs/dbraw/zinc/98/40/38/530984038.db2.gz	GBQDYXYTUSSMBA-ZDUSSCGKSA-N	1	1	397.317	1.973	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Br	ZINC000193458201	530987301	/nfs/dbraw/zinc/98/73/01/530987301.db2.gz	MMOLZKVGMYWXLE-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)ccc1Br	ZINC000193458201	530987304	/nfs/dbraw/zinc/98/73/04/530987304.db2.gz	MMOLZKVGMYWXLE-LBPRGKRZSA-N	1	1	381.274	1.788	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(Br)c(C)[nH]c2=O)CC[N@H+]1C[C@@H](C)O	ZINC000127809919	531034177	/nfs/dbraw/zinc/03/41/77/531034177.db2.gz	FGOMQCZGZSAECT-PWSUYJOCSA-N	1	1	386.290	1.775	10	0		GDAEMO
CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccc(Cl)cc2)C1	ZINC000245537053	531058067	/nfs/dbraw/zinc/05/80/67/531058067.db2.gz	LYZCKENXURHQAM-CVEARBPZSA-N	1	1	376.906	1.231	10	0		GDAEMO
CN(C)c1ccc(Br)c(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000252801552	531091449	/nfs/dbraw/zinc/09/14/49/531091449.db2.gz	UBXBLYITMWTNDT-ZDUSSCGKSA-N	1	1	388.331	1.984	10	0		GDAEMO
Cc1ccc(S(=O)(=O)NCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1	ZINC000131287322	531069198	/nfs/dbraw/zinc/06/91/98/531069198.db2.gz	PCTOLICZSDFSNR-CQSZACIVSA-N	1	1	386.543	1.215	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1nc2ncc(Br)cn2n1	ZINC000246973588	531071141	/nfs/dbraw/zinc/07/11/41/531071141.db2.gz	NROXMFFLVSQSBS-RYUDHWBXSA-N	1	1	379.262	1.586	10	0		GDAEMO
CN(CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)C(=O)c1ccc(Br)o1	ZINC000408145900	531221976	/nfs/dbraw/zinc/22/19/76/531221976.db2.gz	VQWHGCPXFSWGPW-RYUDHWBXSA-N	1	1	384.274	1.667	10	0		GDAEMO
C[N@H+]1CCO[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)C[C@H]21	ZINC000284902160	532004976	/nfs/dbraw/zinc/00/49/76/532004976.db2.gz	HPGSSHWMGQTSNG-ZIAGYGMSSA-N	1	1	379.404	1.262	10	0		GDAEMO
OCC[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)Cn1ccc2ccccc21	ZINC000009595085	221086647	/nfs/dbraw/zinc/08/66/47/221086647.db2.gz	RODUSPUSKAHDBZ-FCHUYYIVSA-N	1	1	398.503	1.874	10	0		GDAEMO
Cc1cc2c(cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)C1)OCC(=O)N2	ZINC000015822139	221346081	/nfs/dbraw/zinc/34/60/81/221346081.db2.gz	UDWKUKCLXGKIAO-CYBMUJFWSA-N	1	1	381.498	1.726	10	0		GDAEMO
C[NH+](C)Cc1cc(C[C@@H]2CC[C@H](O)[C@@H](CNC(=O)Cc3ccccc3)O2)no1	ZINC000096296003	560060192	/nfs/dbraw/zinc/06/01/92/560060192.db2.gz	VDYUKDNKPOBFMN-YSIASYRMSA-N	1	1	387.480	1.546	10	0		GDAEMO
COC(=O)c1c(F)ccc(S(=O)(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1F	ZINC000247412510	645098468	/nfs/dbraw/zinc/09/84/68/645098468.db2.gz	ZJQYCQSIPFYNFP-ZYHUDNBSSA-N	1	1	376.425	1.758	10	0		GDAEMO
O=S(=O)(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1	ZINC000158895882	530537113	/nfs/dbraw/zinc/53/71/13/530537113.db2.gz	XPXXGOXEYSYDCT-HNNXBMFYSA-N	1	1	381.885	1.433	10	0		GDAEMO
O=S(=O)(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(Cl)nc1	ZINC000158895882	530537114	/nfs/dbraw/zinc/53/71/14/530537114.db2.gz	XPXXGOXEYSYDCT-HNNXBMFYSA-N	1	1	381.885	1.433	10	0		GDAEMO
Cc1[nH]c(=O)c(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1Br	ZINC000163181685	530574223	/nfs/dbraw/zinc/57/42/23/530574223.db2.gz	ZLWBFTSXIXHNIH-HZMBPMFUSA-N	1	1	384.274	1.651	10	0		GDAEMO
CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC	ZINC000036191046	530613752	/nfs/dbraw/zinc/61/37/52/530613752.db2.gz	XUAZBJMHKQWLLE-LBPRGKRZSA-N	1	1	378.516	1.107	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1	ZINC000173455529	530630678	/nfs/dbraw/zinc/63/06/78/530630678.db2.gz	CEZDEYXDJZZXFT-WFASDCNBSA-N	1	1	388.281	1.503	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1	ZINC000173828446	530638239	/nfs/dbraw/zinc/63/82/39/530638239.db2.gz	ZZOVYNFNLJHQIG-JKSUJKDBSA-N	1	1	386.539	1.479	10	0		GDAEMO
O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](N2CCOCC2)C1	ZINC000173905164	530639978	/nfs/dbraw/zinc/63/99/78/530639978.db2.gz	FPCLTKAKSYCDFT-HOTGVXAUSA-N	1	1	385.302	1.595	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CCC[C@@H]1CN1CCOCC1	ZINC000174027338	530642227	/nfs/dbraw/zinc/64/22/27/530642227.db2.gz	QIQWVVWFXWEGJE-IAGOWNOFSA-N	1	1	399.329	1.985	10	0		GDAEMO
O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)Nc1ccc(Br)cn1	ZINC000106173727	530846853	/nfs/dbraw/zinc/84/68/53/530846853.db2.gz	TYNCUUQQYNTHKQ-LBPRGKRZSA-N	1	1	379.262	1.786	10	0		GDAEMO
O=C(C[N@H+]1CCC[C@H](Cn2cncn2)C1)Nc1ccc(Br)cn1	ZINC000106173727	530846857	/nfs/dbraw/zinc/84/68/57/530846857.db2.gz	TYNCUUQQYNTHKQ-LBPRGKRZSA-N	1	1	379.262	1.786	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCNS(=O)(=O)c1cccc(Cl)c1	ZINC000113230857	530887856	/nfs/dbraw/zinc/88/78/56/530887856.db2.gz	STCOUAMASOCGPB-UKRRQHHQSA-N	1	1	385.917	1.704	10	0		GDAEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000190356917	530929174	/nfs/dbraw/zinc/92/91/74/530929174.db2.gz	JVOQXOXSSIIEIS-CHWSQXEVSA-N	1	1	381.274	1.868	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(Br)c2)CC1	ZINC000189454642	530913888	/nfs/dbraw/zinc/91/38/88/530913888.db2.gz	JQBHKTKTCVBQCD-AWEZNQCLSA-N	1	1	398.301	1.611	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2ccccc2Br)CC1	ZINC000189452183	530914154	/nfs/dbraw/zinc/91/41/54/530914154.db2.gz	COJKKHCSTXZSLZ-GFCCVEGCSA-N	1	1	384.274	1.303	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cnc(Br)c(C)c2)CC1	ZINC000189479359	530914206	/nfs/dbraw/zinc/91/42/06/530914206.db2.gz	DSELFJFOQMPTJX-CYBMUJFWSA-N	1	1	399.289	1.006	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1	ZINC000190822326	530937899	/nfs/dbraw/zinc/93/78/99/530937899.db2.gz	VWPBWKOHLUNWPD-LLVKDONJSA-N	1	1	392.258	1.986	10	0		GDAEMO
O=C(Nc1cc(F)cc(F)c1Br)C(=O)N1CC[N@H+]2CCC[C@H]2C1	ZINC000191230488	530944852	/nfs/dbraw/zinc/94/48/52/530944852.db2.gz	KDJAPDOJHUTLKE-JTQLQIEISA-N	1	1	388.212	1.972	10	0		GDAEMO
CNS(=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)s1	ZINC000124470217	530996159	/nfs/dbraw/zinc/99/61/59/530996159.db2.gz	WHLWFSOFKWQWRJ-CYBMUJFWSA-N	1	1	388.559	1.576	10	0		GDAEMO
Cc1nc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1Br	ZINC000193536570	530988381	/nfs/dbraw/zinc/98/83/81/530988381.db2.gz	NFKGMAHKNNHVJO-GWCFXTLKSA-N	1	1	383.290	1.936	10	0		GDAEMO
CS(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000195028052	531014382	/nfs/dbraw/zinc/01/43/82/531014382.db2.gz	AXTWOEVJRAASRJ-GFCCVEGCSA-N	1	1	387.299	1.773	10	0		GDAEMO
CS(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)ccc1Br	ZINC000195028052	531014384	/nfs/dbraw/zinc/01/43/84/531014384.db2.gz	AXTWOEVJRAASRJ-GFCCVEGCSA-N	1	1	387.299	1.773	10	0		GDAEMO
O=C(CN1C(=O)COc2cc(Br)ccc21)N1CC[N@H+]2CCC[C@H]2C1	ZINC000195332440	531020837	/nfs/dbraw/zinc/02/08/37/531020837.db2.gz	OODTYMBTDFPTRV-ZDUSSCGKSA-N	1	1	394.269	1.481	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O	ZINC000247225912	531073871	/nfs/dbraw/zinc/07/38/71/531073871.db2.gz	YVJYSHRKKVHYQB-SWLSCSKDSA-N	1	1	398.301	1.691	10	0		GDAEMO
CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O	ZINC000247225912	531073874	/nfs/dbraw/zinc/07/38/74/531073874.db2.gz	YVJYSHRKKVHYQB-SWLSCSKDSA-N	1	1	398.301	1.691	10	0		GDAEMO
COCC[N@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H](C)C(N)=O	ZINC000247607144	531076330	/nfs/dbraw/zinc/07/63/30/531076330.db2.gz	LVUJMRTXHWBOKN-DGCLKSJQSA-N	1	1	375.263	1.011	10	0		GDAEMO
COCC[N@@H+](C[C@@H](O)COc1cccc(Br)c1)[C@H](C)C(N)=O	ZINC000247607144	531076331	/nfs/dbraw/zinc/07/63/31/531076331.db2.gz	LVUJMRTXHWBOKN-DGCLKSJQSA-N	1	1	375.263	1.011	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775733	531076899	/nfs/dbraw/zinc/07/68/99/531076899.db2.gz	QMVRYEWNBUGVQF-IJEWVQPXSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775733	531076903	/nfs/dbraw/zinc/07/69/03/531076903.db2.gz	QMVRYEWNBUGVQF-IJEWVQPXSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)CN1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C	ZINC000247775733	531076906	/nfs/dbraw/zinc/07/69/06/531076906.db2.gz	QMVRYEWNBUGVQF-IJEWVQPXSA-N	1	1	387.318	1.576	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C[C@H](O)COc2cccc(Br)c2)[C@H](C)C1	ZINC000253355866	531091777	/nfs/dbraw/zinc/09/17/77/531091777.db2.gz	VXAGFUAVNZOMAE-YCPHGPKFSA-N	1	1	387.318	1.576	10	0		GDAEMO
CC[C@H]1CN(C(=O)c2cc(I)c[nH]2)CC[N@H+]1C[C@H](C)O	ZINC000246968352	531071063	/nfs/dbraw/zinc/07/10/63/531071063.db2.gz	TWTAKQLVNGYUKD-JQWIXIFHSA-N	1	1	391.253	1.537	10	0		GDAEMO
O[C@@H](COc1cccc(Br)c1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000246979002	531071214	/nfs/dbraw/zinc/07/12/14/531071214.db2.gz	SGNKEWANDQARQN-DOTOQJQBSA-N	1	1	399.329	1.843	10	0		GDAEMO
C[C@H]1C[N@H+](C2CCN(c3cc(Br)cnc3C(N)=O)CC2)CCO1	ZINC000408190790	531224032	/nfs/dbraw/zinc/22/40/32/531224032.db2.gz	DBNFYEHGQPVTRL-NSHDSACASA-N	1	1	383.290	1.633	10	0		GDAEMO
C[N@H+]1CCO[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)C[C@@H]21	ZINC000284902154	532005317	/nfs/dbraw/zinc/00/53/17/532005317.db2.gz	HPGSSHWMGQTSNG-UONOGXRCSA-N	1	1	379.404	1.262	10	0		GDAEMO
C[N@H+]1CCO[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)C[C@@H]21	ZINC000284902142	532005422	/nfs/dbraw/zinc/00/54/22/532005422.db2.gz	HPGSSHWMGQTSNG-KBPBESRZSA-N	1	1	379.404	1.262	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3n[nH]c4ccc(Br)cc43)[C@H]2C1	ZINC000285942068	532121670	/nfs/dbraw/zinc/12/16/70/532121670.db2.gz	VRSFBGMRLULPRL-KBPBESRZSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@H]2C1	ZINC000285942068	532121673	/nfs/dbraw/zinc/12/16/73/532121673.db2.gz	VRSFBGMRLULPRL-KBPBESRZSA-N	1	1	379.258	1.871	10	0		GDAEMO
C[N@H+]1CC[C@@H]2OCCN(C(=O)c3[nH]nc4ccc(Br)cc43)[C@H]2C1	ZINC000285942068	532121675	/nfs/dbraw/zinc/12/16/75/532121675.db2.gz	VRSFBGMRLULPRL-KBPBESRZSA-N	1	1	379.258	1.871	10	0		GDAEMO
O=C(C[C@@H]1C(=O)NCC[N@@H+]1C1Cc2ccccc2C1)NCCc1cccs1	ZINC000015066916	221330002	/nfs/dbraw/zinc/33/00/02/221330002.db2.gz	LHADLVSPHYXNFC-LJQANCHMSA-N	1	1	383.517	1.765	10	0		GDAEMO
O=C(C[C@@H]1C(=O)NCC[N@H+]1C1Cc2ccccc2C1)NCCc1cccs1	ZINC000015066916	221330004	/nfs/dbraw/zinc/33/00/04/221330004.db2.gz	LHADLVSPHYXNFC-LJQANCHMSA-N	1	1	383.517	1.765	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccn2C)C[N@H+]1C1CCOCC1	ZINC000096138134	222385280	/nfs/dbraw/zinc/38/52/80/222385280.db2.gz	KSZKLGATPDGZKV-QAPCUYQASA-N	1	1	376.501	1.245	10	0		GDAEMO
CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccnn2CC)C[N@H+]1C1CCCC1	ZINC000096166917	222395427	/nfs/dbraw/zinc/39/54/27/222395427.db2.gz	GLXJJRRDTXRIRI-QAPCUYQASA-N	1	1	375.517	1.887	10	0		GDAEMO
CC[C@H](O)C[NH+]1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1	ZINC000173105730	644888332	/nfs/dbraw/zinc/88/83/32/644888332.db2.gz	DEJNSHFDPPJXPY-AWEZNQCLSA-N	1	1	399.285	1.556	10	0		GDAEMO
CC[C@@H]1CN(C(=O)c2ccc(OC)c(Br)n2)CC[N@H+]1C[C@@H](C)O	ZINC000183206150	644968236	/nfs/dbraw/zinc/96/82/36/644968236.db2.gz	UNBHDNRBEOFLGJ-VXGBXAGGSA-N	1	1	386.290	1.770	10	0		GDAEMO
Cn1nccc1[C@H]1[C@H](CNC(=O)CN2CSCCSC2)CCC[N@H+]1C	ZINC000908106701	659871082	/nfs/dbraw/zinc/87/10/82/659871082.db2.gz	NIFVQSKAVPCATQ-WMLDXEAASA-N	1	1	383.587	1.616	10	0		GDAEMO
Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cncc(I)c2)cn1	ZINC000181443654	530783762	/nfs/dbraw/zinc/78/37/62/530783762.db2.gz	MTWOVBWACOCNPM-CYBMUJFWSA-N	1	1	397.220	1.206	10	0		GDAEMO
CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3cc(Br)c[nH]3)CC2)C1	ZINC000109647548	530864025	/nfs/dbraw/zinc/86/40/25/530864025.db2.gz	MIIWCVJTCVVNKT-HNNXBMFYSA-N	1	1	399.333	1.644	10	0		GDAEMO
C[C@@H](O)C[N@H+]1CCN(CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C	ZINC000106100826	530845911	/nfs/dbraw/zinc/84/59/11/530845911.db2.gz	MFTZTMUQYNQKDJ-LSDHHAIUSA-N	1	1	398.345	1.794	10	0		GDAEMO
Cc1nc(Br)ccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000190101378	530925661	/nfs/dbraw/zinc/92/56/61/530925661.db2.gz	DZBXGCFBDAGOSD-CMPLNLGQSA-N	1	1	381.274	1.786	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C3CC3)CC2)ncc1Br	ZINC000193145341	530980651	/nfs/dbraw/zinc/98/06/51/530980651.db2.gz	MBLNSZHHUKFOEO-UHFFFAOYSA-N	1	1	381.274	1.788	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ncc1Br	ZINC000193471579	530987241	/nfs/dbraw/zinc/98/72/41/530987241.db2.gz	VEZOLEYRYVLMBD-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ncc1Br	ZINC000193471579	530987243	/nfs/dbraw/zinc/98/72/43/530987243.db2.gz	VEZOLEYRYVLMBD-NWDGAFQWSA-N	1	1	399.289	1.005	10	0		GDAEMO
COc1c(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)c(C)nn1C	ZINC000127832972	531034692	/nfs/dbraw/zinc/03/46/92/531034692.db2.gz	HGPLYNDIJKWHMA-UHFFFAOYSA-N	1	1	378.907	1.520	10	0		GDAEMO
C[N@H+]1CCO[C@H]2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)C[C@H]21	ZINC000408028757	531212092	/nfs/dbraw/zinc/21/20/92/531212092.db2.gz	VAFZJMHUVXDGLK-OLZOCXBDSA-N	1	1	379.404	1.262	10	0		GDAEMO
C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000408113446	531219317	/nfs/dbraw/zinc/21/93/17/531219317.db2.gz	SJTJTBCUTAOTFY-NSHDSACASA-N	1	1	379.258	1.322	10	0		GDAEMO
C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000408113446	531219323	/nfs/dbraw/zinc/21/93/23/531219323.db2.gz	SJTJTBCUTAOTFY-NSHDSACASA-N	1	1	379.258	1.322	10	0		GDAEMO
O=C(CC1CCN(C(=O)NC2CCCCC2)CC1)NCCC[NH+]1CCOCC1	ZINC000064846961	222084769	/nfs/dbraw/zinc/08/47/69/222084769.db2.gz	GSIXFXVBUNBHFD-UHFFFAOYSA-N	1	1	394.560	1.969	10	0		GDAEMO
O=C(c1nc2ccccn2c1F)N1C[C@H](O)[C@@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000072407753	222255627	/nfs/dbraw/zinc/25/56/27/222255627.db2.gz	ZUIUVVPNGIQKLM-IRXDYDNUSA-N	1	1	380.423	1.717	10	0		GDAEMO
O=C(c1nc2ccccn2c1F)N1C[C@H](O)[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000072407753	222255629	/nfs/dbraw/zinc/25/56/29/222255629.db2.gz	ZUIUVVPNGIQKLM-IRXDYDNUSA-N	1	1	380.423	1.717	10	0		GDAEMO
CC[C@@H](O)C[N@@H+](CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1	ZINC000036206976	570569082	/nfs/dbraw/zinc/56/90/82/570569082.db2.gz	QGTQEDNNSBBLPZ-GFCCVEGCSA-N	1	1	397.497	1.689	10	0		GDAEMO
CC[C@@H](O)C[N@H+](CCCOC)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1	ZINC000036206976	570569081	/nfs/dbraw/zinc/56/90/81/570569081.db2.gz	QGTQEDNNSBBLPZ-GFCCVEGCSA-N	1	1	397.497	1.689	10	0		GDAEMO
CC[N@H+]1CCC[C@@H](NS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)C1	ZINC000329712753	645323900	/nfs/dbraw/zinc/32/39/00/645323900.db2.gz	QMGNURXDYLHJBX-OAHLLOKOSA-N	1	1	385.917	1.568	10	0		GDAEMO
O=S(=O)(c1cnn2c1OCCC2)N1CCN(c2cc[nH+]cc2Cl)CC1	ZINC000886071889	657592017	/nfs/dbraw/zinc/59/20/17/657592017.db2.gz	OGHQMEPVDGVLNY-UHFFFAOYSA-N	1	1	383.861	1.225	10	0		GDAEMO
Cn1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c(I)n1	ZINC000893870278	658471260	/nfs/dbraw/zinc/47/12/60/658471260.db2.gz	XPSQFOAMLSROSG-NSHDSACASA-N	1	1	386.241	1.528	10	0		GDAEMO
Cn1cc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c(I)n1	ZINC000893870278	658471265	/nfs/dbraw/zinc/47/12/65/658471265.db2.gz	XPSQFOAMLSROSG-NSHDSACASA-N	1	1	386.241	1.528	10	0		GDAEMO
Cn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)cn1	ZINC000173569361	530633019	/nfs/dbraw/zinc/63/30/19/530633019.db2.gz	AKIBQAAYQWJFFI-UHFFFAOYSA-N	1	1	394.273	1.219	10	0		GDAEMO
Cn1cc(C[N@H+]2CCCN(C(=O)c3c[nH]c(=O)c(Br)c3)CC2)cn1	ZINC000173569361	530633020	/nfs/dbraw/zinc/63/30/20/530633020.db2.gz	AKIBQAAYQWJFFI-UHFFFAOYSA-N	1	1	394.273	1.219	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000177607741	530707030	/nfs/dbraw/zinc/70/70/30/530707030.db2.gz	XRRBOKBFMDODJX-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1Br	ZINC000177607741	530707031	/nfs/dbraw/zinc/70/70/31/530707031.db2.gz	XRRBOKBFMDODJX-QWHCGFSZSA-N	1	1	398.301	1.610	10	0		GDAEMO
C[C@@H]([NH2+]Cc1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1cccc(Br)c1	ZINC000182579357	530801286	/nfs/dbraw/zinc/80/12/86/530801286.db2.gz	ZPTXSXBZRNWJCY-SECBINFHSA-N	1	1	392.257	1.574	10	0		GDAEMO
Cc1cc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cnc1Br	ZINC000182828130	530805960	/nfs/dbraw/zinc/80/59/60/530805960.db2.gz	KTQUWVSMMRSBIV-AAEUAGOBSA-N	1	1	383.290	1.936	10	0		GDAEMO
C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CC(=O)N(C)Cc1ccccc1Br	ZINC000103285945	530834211	/nfs/dbraw/zinc/83/42/11/530834211.db2.gz	VNZNOWGWHDKWBA-JSGCOSHPSA-N	1	1	382.302	1.993	10	0		GDAEMO
CC[C@@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[N@H+]1CCOC	ZINC000106114632	530846896	/nfs/dbraw/zinc/84/68/96/530846896.db2.gz	KYKBAOAZBADLFT-CQSZACIVSA-N	1	1	385.306	1.825	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CNC(=O)c1ccc(Br)s1	ZINC000113444966	530889717	/nfs/dbraw/zinc/88/97/17/530889717.db2.gz	HYVWSONDABJPLV-GHMZBOCLSA-N	1	1	386.315	1.936	10	0		GDAEMO
CCC[C@H](C)CS(=O)(=O)N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1	ZINC000117372931	530912612	/nfs/dbraw/zinc/91/26/12/530912612.db2.gz	PHGGBVTYBNJKFI-ROUUACIJSA-N	1	1	375.579	1.479	10	0		GDAEMO
C[NH+]1CCN(C(=O)CN2CCO[C@H](c3ccccc3Br)C2)CC1	ZINC000120928778	530947837	/nfs/dbraw/zinc/94/78/37/530947837.db2.gz	PAXKBKOQXNOWPQ-INIZCTEOSA-N	1	1	382.302	1.596	10	0		GDAEMO
C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cc(Br)cn(C)c2=O)C[C@H]1C	ZINC000246060117	531063103	/nfs/dbraw/zinc/06/31/03/531063103.db2.gz	RDMMKRWRIYGKPY-MNOVXSKESA-N	1	1	387.278	1.067	10	0		GDAEMO
C[N@H+]1CCC[C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccs3)CC[C@H]21	ZINC000246133975	531063721	/nfs/dbraw/zinc/06/37/21/531063721.db2.gz	RFHVQNGKUCXYIX-ZIAGYGMSSA-N	1	1	386.543	1.152	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(S(=O)(=O)NC)s1	ZINC000246137585	531064037	/nfs/dbraw/zinc/06/40/37/531064037.db2.gz	JGJQOJOCQRACRJ-STQMWFEESA-N	1	1	386.543	1.424	10	0		GDAEMO
CC[C@@H]1CN([C@@H](C(N)=O)c2cccc(Br)c2)CC[N@H+]1C[C@@H](C)O	ZINC000245761500	531060474	/nfs/dbraw/zinc/06/04/74/531060474.db2.gz	IOWYMMOOWAUDDE-DAXOMENPSA-N	1	1	384.318	1.753	10	0		GDAEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000247388026	531074745	/nfs/dbraw/zinc/07/47/45/531074745.db2.gz	QEKWTJSHMSGROV-DVOMOZLQSA-N	1	1	387.933	1.852	10	0		GDAEMO
COCC[N@@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248774922	531082245	/nfs/dbraw/zinc/08/22/45/531082245.db2.gz	UDWSDOVTWGFRCQ-BLLLJJGKSA-N	1	1	383.286	1.932	10	0		GDAEMO
COCC[N@H+]1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)C[C@@H]1C	ZINC000248774922	531082248	/nfs/dbraw/zinc/08/22/48/531082248.db2.gz	UDWSDOVTWGFRCQ-BLLLJJGKSA-N	1	1	383.286	1.932	10	0		GDAEMO
C[C@@H](C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1)CS(C)(=O)=O	ZINC000249125809	531084984	/nfs/dbraw/zinc/08/49/84/531084984.db2.gz	XHNDEPJGHQUVMQ-JKSUJKDBSA-N	1	1	376.563	1.795	10	0		GDAEMO
C[C@H](C[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1)CS(C)(=O)=O	ZINC000249125801	531085014	/nfs/dbraw/zinc/08/50/14/531085014.db2.gz	XHNDEPJGHQUVMQ-HZPDHXFCSA-N	1	1	376.563	1.795	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CNC(=O)c1cccc(Br)c1	ZINC000247189084	531072549	/nfs/dbraw/zinc/07/25/49/531072549.db2.gz	LEXHDPMLGADMBM-DOMZBBRYSA-N	1	1	380.286	1.874	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000247169948	531072839	/nfs/dbraw/zinc/07/28/39/531072839.db2.gz	KQHJFJAKSKIFQO-ILXRZTDVSA-N	1	1	383.539	1.596	10	0		GDAEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1	ZINC000247169965	531073086	/nfs/dbraw/zinc/07/30/86/531073086.db2.gz	KQHJFJAKSKIFQO-RBSFLKMASA-N	1	1	383.539	1.596	10	0		GDAEMO
CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC([NH+]3CCCC3)CC2)c1	ZINC000155280398	531198542	/nfs/dbraw/zinc/19/85/42/531198542.db2.gz	JUXGNPUPLVWHPH-UHFFFAOYSA-N	1	1	386.539	1.729	10	0		GDAEMO
C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000408113443	531219669	/nfs/dbraw/zinc/21/96/69/531219669.db2.gz	SJTJTBCUTAOTFY-LLVKDONJSA-N	1	1	379.258	1.322	10	0		GDAEMO
C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cnc2ccc(Br)cc2c1=O	ZINC000408113443	531219673	/nfs/dbraw/zinc/21/96/73/531219673.db2.gz	SJTJTBCUTAOTFY-LLVKDONJSA-N	1	1	379.258	1.322	10	0		GDAEMO
COCC[N@H+]1CC[C@@H](CN(C)c2nc3nonc3nc2N2CCCCC2)C1	ZINC000012584727	221209951	/nfs/dbraw/zinc/20/99/51/221209951.db2.gz	KYOFTDVKKHYNSL-AWEZNQCLSA-N	1	1	375.477	1.408	10	0		GDAEMO
CC[C@H](C)NC(=O)c1coc(CN2CC[NH+](C[C@@H](O)COC(C)C)CC2)n1	ZINC000034677121	570294182	/nfs/dbraw/zinc/29/41/82/570294182.db2.gz	ONFKXLYVNJQYQS-JKSUJKDBSA-N	1	1	382.505	1.106	10	0		GDAEMO
NS(=O)(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1	ZINC000091744747	644589088	/nfs/dbraw/zinc/58/90/88/644589088.db2.gz	SKKYVKDCYPCVJS-DOMZBBRYSA-N	1	1	386.905	1.338	10	0		GDAEMO
COCC[N@H+]1CCN(Cn2nc(Br)nc2Br)C[C@H]1C	ZINC000175236198	644904232	/nfs/dbraw/zinc/90/42/32/644904232.db2.gz	AXTUPHUOERQSOG-SECBINFHSA-N	1	1	397.115	1.413	10	0		GDAEMO
Cn1cc(N2CC[NH+](C[C@@H](O)COc3cccc(Br)c3)CC2)cn1	ZINC000173962016	530640700	/nfs/dbraw/zinc/64/07/00/530640700.db2.gz	WFEHXTGODBFDAU-MRXNPFEDSA-N	1	1	395.301	1.745	10	0		GDAEMO
Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccc(S(N)(=O)=O)s1	ZINC000175586593	530667292	/nfs/dbraw/zinc/66/72/92/530667292.db2.gz	NBKZMKCTVLBNJK-LBPRGKRZSA-N	1	1	383.499	1.275	10	0		GDAEMO
O=C(Nc1ccc(I)cc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1	ZINC000177697354	530709093	/nfs/dbraw/zinc/70/90/93/530709093.db2.gz	WTZQQSOHMRQGBP-CYBMUJFWSA-N	1	1	399.232	1.536	10	0		GDAEMO
CC(=O)N1CC[C@H](C[N@@H+](C)C[C@H](O)COc2cccc(Br)c2)C1	ZINC000179458329	530741555	/nfs/dbraw/zinc/74/15/55/530741555.db2.gz	UDALQIMXCWGDBS-ZBFHGGJFSA-N	1	1	385.302	1.989	10	0		GDAEMO
Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc(S(C)(=O)=O)ccc2Cl)cn1	ZINC000181415187	530782644	/nfs/dbraw/zinc/78/26/44/530782644.db2.gz	ZZNPFJIRNMDIPB-HNNXBMFYSA-N	1	1	382.873	1.264	10	0		GDAEMO
CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1	ZINC000188144511	530886429	/nfs/dbraw/zinc/88/64/29/530886429.db2.gz	OEMPDKIIJBPKCE-GFCCVEGCSA-N	1	1	386.290	1.690	10	0		GDAEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(Br)nc1	ZINC000190356938	530929219	/nfs/dbraw/zinc/92/92/19/530929219.db2.gz	JVOQXOXSSIIEIS-QWHCGFSZSA-N	1	1	381.274	1.868	10	0		GDAEMO
COCCN(C)S(=O)(=O)N1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000192933477	530976716	/nfs/dbraw/zinc/97/67/16/530976716.db2.gz	YHMJKIOULXMXLM-CQSZACIVSA-N	1	1	376.548	1.028	10	0		GDAEMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl	ZINC000195044135	531014302	/nfs/dbraw/zinc/01/43/02/531014302.db2.gz	RIQYRQCGSJFBDW-CQSZACIVSA-N	1	1	385.917	1.901	10	0		GDAEMO
CN(C)S(=O)(=O)c1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)ccc1Cl	ZINC000195044135	531014305	/nfs/dbraw/zinc/01/43/05/531014305.db2.gz	RIQYRQCGSJFBDW-CQSZACIVSA-N	1	1	385.917	1.901	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCN(C)S(=O)(=O)c1cccs1	ZINC000130739037	531063706	/nfs/dbraw/zinc/06/37/06/531063706.db2.gz	MZUGDYNMWYUMRC-UONOGXRCSA-N	1	1	386.543	1.247	10	0		GDAEMO
C[N@H+]1CC[C@H](CNC(=O)NCCS(N)(=O)=O)[C@H]1c1ccc(Cl)c(F)c1	ZINC000245687860	531060211	/nfs/dbraw/zinc/06/02/11/531060211.db2.gz	LEPGPBKZIPKZLZ-BXUZGUMPSA-N	1	1	392.884	1.060	10	0		GDAEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1	ZINC000247411687	531074515	/nfs/dbraw/zinc/07/45/15/531074515.db2.gz	QEAWRPQRXDNMKS-ZFWWWQNUSA-N	1	1	385.917	1.992	10	0		GDAEMO
C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000247546914	531075121	/nfs/dbraw/zinc/07/51/21/531075121.db2.gz	YXHJLNLXDQIWCT-IPYPFGDCSA-N	1	1	385.917	1.702	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000249135442	531084640	/nfs/dbraw/zinc/08/46/40/531084640.db2.gz	NWZFRIYYFXQJOV-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Cc1cc(Br)cc(NC(=O)C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1	ZINC000249135442	531084643	/nfs/dbraw/zinc/08/46/43/531084643.db2.gz	NWZFRIYYFXQJOV-OLZOCXBDSA-N	1	1	398.301	1.610	10	0		GDAEMO
Nc1ncc(Br)cc1S(=O)(=O)NC[C@H]1CCc2[nH+]ccn2C1	ZINC000328634291	532088572	/nfs/dbraw/zinc/08/85/72/532088572.db2.gz	TZKRNNZNWXWPMM-SECBINFHSA-N	1	1	386.275	1.164	10	0		GDAEMO
C[N@H+]1CC[C@]23c4cccc(O)c4N4C(=O)C[C@@H]5OCC=C(C1)[C@H](CC2=O)[C@@H]5[C@@H]43	ZINC000085541738	291108043	/nfs/dbraw/zinc/10/80/43/291108043.db2.gz	ZMTYENXGROJCEA-RHFDAZHRSA-N	1	1	380.444	1.615	10	0	biogenic,in-vitro	GDAEMO
CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(-n2cccn2)c1	ZINC000012443381	221195231	/nfs/dbraw/zinc/19/52/31/221195231.db2.gz	ZLVHPASXVSQWRU-SFHVURJKSA-N	1	1	383.496	1.725	10	0		GDAEMO
CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1cccc(-n2cccn2)c1	ZINC000012443381	221195233	/nfs/dbraw/zinc/19/52/33/221195233.db2.gz	ZLVHPASXVSQWRU-SFHVURJKSA-N	1	1	383.496	1.725	10	0		GDAEMO
O=S(=O)(c1cc(Br)sc1Br)N1CC[NH2+]CC1	ZINC000037463890	644320447	/nfs/dbraw/zinc/32/04/47/644320447.db2.gz	YTFXQJFCZRTBHK-UHFFFAOYSA-N	1	1	390.122	1.867	10	0		GDAEMO