smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)cc1[O-]	ZINC000104443156	186004262	/nfs/dbraw/zinc/00/42/62/186004262.db2.gz	CSUZRHCHMPYBSB-VXGBXAGGSA-N	0	3	265.397	3.876	10	10		CHCEHN
C[C@@H](N[C@@H](C)c1cccc(F)c1)c1cc(O)ccc1O	ZINC000020147919	171034921	/nfs/dbraw/zinc/03/49/21/171034921.db2.gz	ZWAOEUCBPPHNFR-WDEREUQCSA-N	0	3	275.323	3.649	10	10		CHCEHN
C[C@H](NCc1ccc2c(c1)CCN2C)c1ccsc1	ZINC000061361743	262396431	/nfs/dbraw/zinc/39/64/31/262396431.db2.gz	HYNKKTSSIHTQHB-LBPRGKRZSA-N	0	3	272.417	3.591	10	10		CHCEHN
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074397	525688741	/nfs/dbraw/zinc/68/87/41/525688741.db2.gz	WNNCNQGTSYYWAA-DOMZBBRYSA-N	0	3	269.344	3.567	10	10		CHCEHN
C[C@H](N[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	ZINC000193002798	1123869275	/nfs/dbraw/zinc/86/92/75/1123869275.db2.gz	ZCZILMSRDJXKIZ-KSSFIOAISA-N	0	3	296.414	3.927	10	10		CHCEHN
CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000020122927	171003197	/nfs/dbraw/zinc/00/31/97/171003197.db2.gz	AQUWLTQOCMPKIZ-RYUDHWBXSA-N	0	3	251.370	3.573	10	10		CHCEHN
C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1[O-])c1cccc(F)c1	ZINC000020147886	171035451	/nfs/dbraw/zinc/03/54/51/171035451.db2.gz	KTXNBKYBSHOKSW-GHMZBOCLSA-N	0	3	275.323	3.649	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c([O-])c1	ZINC000020148081	171036009	/nfs/dbraw/zinc/03/60/09/171036009.db2.gz	DAYURFHRUISXGN-NWDGAFQWSA-N	0	3	289.350	3.952	10	10		CHCEHN
Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(F)cc2)c1	ZINC000071406322	176155754	/nfs/dbraw/zinc/15/57/54/176155754.db2.gz	KPWQLWVWXRLWFJ-GFCCVEGCSA-N	0	3	259.324	3.691	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c([O-])c1	ZINC000186176230	329338953	/nfs/dbraw/zinc/33/89/53/329338953.db2.gz	QXLIDXLUKWDVSC-VBQJREDUSA-N	0	3	297.398	3.916	10	10		CHCEHN
COc1ccc(O)c([C@H](C)N[C@@H]2CCOc3ccccc32)c1	ZINC000192795090	534204849	/nfs/dbraw/zinc/20/48/49/534204849.db2.gz	FOJWTHKBAWQNTC-BLLLJJGKSA-N	0	3	299.370	3.575	10	10		CHCEHN
CC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1[O-]	ZINC000192926498	522943179	/nfs/dbraw/zinc/94/31/79/522943179.db2.gz	VKDZNBPYYQWKOZ-QZTJIDSGSA-N	0	3	298.430	3.736	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c([O-])c1	ZINC000037074229	525945192	/nfs/dbraw/zinc/94/51/92/525945192.db2.gz	JGEOLGOSKXFSCB-BBRMVZONSA-N	0	3	283.371	3.875	10	10		CHCEHN
CCCC(=O)Nc1ccc([O-])c([C@@H](C)[NH2+]C(CC)CC)c1	ZINC000019884001	170908648	/nfs/dbraw/zinc/90/86/48/170908648.db2.gz	STWWBISUPDESMG-GFCCVEGCSA-N	0	3	292.423	3.970	10	10		CHCEHN
CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000020122922	171003360	/nfs/dbraw/zinc/00/33/60/171003360.db2.gz	ODKQEBXHAYFGHG-VXGBXAGGSA-N	0	3	251.370	3.573	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1[O-]	ZINC000020147887	171035621	/nfs/dbraw/zinc/03/56/21/171035621.db2.gz	KTXNBKYBSHOKSW-WDEREUQCSA-N	0	3	275.323	3.649	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)c([O-])c1	ZINC000037253719	173064277	/nfs/dbraw/zinc/06/42/77/173064277.db2.gz	MIDDKLNDIWFWGN-AGIUHOORSA-N	0	3	263.381	3.630	10	10		CHCEHN
CCOc1cccc(CN[C@H](C)c2ccc(C)o2)c1O	ZINC000036960267	521373435	/nfs/dbraw/zinc/37/34/35/521373435.db2.gz	VOAUNWHSSUQUBU-GFCCVEGCSA-N	0	3	275.348	3.543	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c([O-])c1	ZINC000037074226	525744215	/nfs/dbraw/zinc/74/42/15/525744215.db2.gz	JGEOLGOSKXFSCB-CZUORRHYSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c([O-])c1	ZINC000020121765	171001131	/nfs/dbraw/zinc/00/11/31/171001131.db2.gz	LVGQPXJFEPVEPH-CHWSQXEVSA-N	0	3	256.349	3.507	10	10		CHCEHN
C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])c1ccc(Cl)cc1	ZINC000020121901	171002122	/nfs/dbraw/zinc/00/21/22/171002122.db2.gz	QLYPDVQRMYZTCX-SNVBAGLBSA-N	0	3	277.751	3.602	10	10		CHCEHN
CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(OC)cc1[O-]	ZINC000104443158	186004021	/nfs/dbraw/zinc/00/40/21/186004021.db2.gz	CSUZRHCHMPYBSB-NWDGAFQWSA-N	0	3	265.397	3.876	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c([O-])c1	ZINC000020121767	171001069	/nfs/dbraw/zinc/00/10/69/171001069.db2.gz	LVGQPXJFEPVEPH-QWHCGFSZSA-N	0	3	256.349	3.507	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)c([O-])c1	ZINC000037253723	173064266	/nfs/dbraw/zinc/06/42/66/173064266.db2.gz	MIDDKLNDIWFWGN-FRRDWIJNSA-N	0	3	263.381	3.630	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccsc2)c([O-])c1	ZINC000061360948	525162892	/nfs/dbraw/zinc/16/28/92/525162892.db2.gz	MVFDBPCCRVNCGC-GHMZBOCLSA-N	0	3	277.389	3.874	10	10		CHCEHN
[O-]c1ccc2ccccc2c1C[NH2+]Cc1ccc(F)cc1	ZINC000019943534	170935177	/nfs/dbraw/zinc/93/51/77/170935177.db2.gz	YUQQHEAEXDTFPK-UHFFFAOYSA-N	0	3	281.330	3.974	10	10		CHCEHN
CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1[O-]	ZINC000020121428	171000391	/nfs/dbraw/zinc/00/03/91/171000391.db2.gz	AVLXJFPNHIQPPF-IUODEOHRSA-N	0	3	256.349	3.589	10	10		CHCEHN
CCOc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1[O-]	ZINC000020126188	171010451	/nfs/dbraw/zinc/01/04/51/171010451.db2.gz	ONBGJLHBUJRTMT-AWEZNQCLSA-N	0	3	285.387	3.950	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2n2cccn2)c([O-])c1	ZINC000248491463	329894741	/nfs/dbraw/zinc/89/47/41/329894741.db2.gz	ISPBDSKRSTUGBN-BHYGNILZSA-N	0	3	299.418	3.732	10	10		CHCEHN
CNCc1cc(F)c(N(C)[C@@H](C)CC(C)C)c(F)c1	ZINC000062713399	522112583	/nfs/dbraw/zinc/11/25/83/522112583.db2.gz	LZOASKYIOPILIU-NSHDSACASA-N	0	3	270.367	3.555	10	10		CHCEHN
Cc1ccc(O)c(CN[C@@H](C)c2ccc(F)c(F)c2)c1	ZINC000071407303	525351481	/nfs/dbraw/zinc/35/14/81/525351481.db2.gz	RHFLPIYJTDHHOE-NSHDSACASA-N	0	3	277.314	3.830	10	10		CHCEHN
Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1	ZINC000071407303	525351487	/nfs/dbraw/zinc/35/14/87/525351487.db2.gz	RHFLPIYJTDHHOE-NSHDSACASA-N	0	3	277.314	3.830	10	10		CHCEHN
Cc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3ccccc32)c1	ZINC000037074422	525362748	/nfs/dbraw/zinc/36/27/48/525362748.db2.gz	FXGLZUSGAPOXRT-CZUORRHYSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1	ZINC000037074422	525362750	/nfs/dbraw/zinc/36/27/50/525362750.db2.gz	FXGLZUSGAPOXRT-CZUORRHYSA-N	0	3	283.371	3.875	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)C1CCCCC1)c1cc(O)ccc1[O-]	ZINC000052332668	525592723	/nfs/dbraw/zinc/59/27/23/525592723.db2.gz	VSKPJNYHMVZOGF-NWDGAFQWSA-N	0	3	263.381	3.717	10	10		CHCEHN
Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000020126211	171010571	/nfs/dbraw/zinc/01/05/71/171010571.db2.gz	LXVLOVUMZANBOZ-QWHCGFSZSA-N	0	3	271.360	3.818	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c([O-])c1	ZINC000020148082	171035865	/nfs/dbraw/zinc/03/58/65/171035865.db2.gz	DAYURFHRUISXGN-RYUDHWBXSA-N	0	3	289.350	3.952	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccs1	ZINC000020148306	171036110	/nfs/dbraw/zinc/03/61/10/171036110.db2.gz	OKKFALFLCROQTR-VHSXEESVSA-N	0	3	263.362	3.571	10	10		CHCEHN
COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)c([O-])c1	ZINC000040906493	174430988	/nfs/dbraw/zinc/43/09/88/174430988.db2.gz	CBXLTNPMVRSWST-UHFFFAOYSA-N	0	3	265.397	3.705	10	10		CHCEHN
CC[C@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000070529259	326917682	/nfs/dbraw/zinc/91/76/82/326917682.db2.gz	LKWSDUBYKRBHNL-GJZGRUSLSA-N	0	3	269.344	3.567	10	10		CHCEHN
Cc1csc(C2CC[NH+](Cc3ccccc3[O-])CC2)n1	ZINC000179568381	329209827	/nfs/dbraw/zinc/20/98/27/329209827.db2.gz	CSHATSHPGYRVJR-UHFFFAOYSA-N	0	3	288.416	3.537	10	10		CHCEHN
COc1ccc(O)c([C@@H](C)N[C@@H]2CCOc3ccccc32)c1	ZINC000192795096	534203962	/nfs/dbraw/zinc/20/39/62/534203962.db2.gz	FOJWTHKBAWQNTC-MLGOLLRUSA-N	0	3	299.370	3.575	10	10		CHCEHN
CC[C@@H](C)[N@H+](Cc1ccncc1)Cc1cccc(C)c1[O-]	ZINC000055120152	570240927	/nfs/dbraw/zinc/24/09/27/570240927.db2.gz	YKXBHTVTKBKMBX-OAHLLOKOSA-N	0	3	284.403	3.896	10	10		CHCEHN
CC[C@@H](C)[N@@H+](Cc1ccncc1)Cc1cccc(C)c1[O-]	ZINC000055120152	570240931	/nfs/dbraw/zinc/24/09/31/570240931.db2.gz	YKXBHTVTKBKMBX-OAHLLOKOSA-N	0	3	284.403	3.896	10	10		CHCEHN
C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	ZINC000193002787	1123868952	/nfs/dbraw/zinc/86/89/52/1123868952.db2.gz	ZCZILMSRDJXKIZ-RDTXWAMCSA-N	0	3	296.414	3.927	10	10		CHCEHN
C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccc(O)cc1[O-]	ZINC000042856504	174891961	/nfs/dbraw/zinc/89/19/61/174891961.db2.gz	AUWNQZAXWYPGJU-RWMBFGLXSA-N	0	3	263.381	3.575	10	10		CHCEHN
CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074303	260066941	/nfs/dbraw/zinc/06/69/41/260066941.db2.gz	MJGASHKWFQUKEQ-CVEARBPZSA-N	0	3	283.371	3.957	10	10		CHCEHN
C[C@@H](NCc1ccc2c(c1)CCN2C)c1ccsc1	ZINC000061361744	262396472	/nfs/dbraw/zinc/39/64/72/262396472.db2.gz	HYNKKTSSIHTQHB-GFCCVEGCSA-N	0	3	272.417	3.591	10	10		CHCEHN
CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-]	ZINC000281479033	522575628	/nfs/dbraw/zinc/57/56/28/522575628.db2.gz	FSHWAGSTPWZRIO-XEZPLFJOSA-N	0	3	277.408	3.637	10	10		CHCEHN
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]Cc1ccccc1[O-])C2	ZINC000004977844	170048019	/nfs/dbraw/zinc/04/80/19/170048019.db2.gz	AVTKPBRAYCSVAB-UNEWFSDZSA-N	0	3	259.393	3.697	10	10		CHCEHN
Cc1ccccc1[C@H](C)N[C@H](C)c1cc(O)ccc1O	ZINC000020126239	171010360	/nfs/dbraw/zinc/01/03/60/171010360.db2.gz	OZHFCYNBPCBDAF-QWHCGFSZSA-N	0	3	271.360	3.818	10	10		CHCEHN
Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000020126239	171010361	/nfs/dbraw/zinc/01/03/61/171010361.db2.gz	OZHFCYNBPCBDAF-QWHCGFSZSA-N	0	3	271.360	3.818	10	10		CHCEHN
C[C@H](N[C@@H](C)c1cc(O)ccc1O)c1cccs1	ZINC000020148359	171035994	/nfs/dbraw/zinc/03/59/94/171035994.db2.gz	FHSJLEWONJCPQX-UWVGGRQHSA-N	0	3	263.362	3.571	10	10		CHCEHN
Cc1csc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1	ZINC000179567126	329209582	/nfs/dbraw/zinc/20/95/82/329209582.db2.gz	ULELZCKOHKJPLS-CQSZACIVSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1csc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1	ZINC000179567126	329209583	/nfs/dbraw/zinc/20/95/83/329209583.db2.gz	ULELZCKOHKJPLS-CQSZACIVSA-N	0	3	288.416	3.537	10	10		CHCEHN
COc1ccc(O)c([C@H](C)N[C@@H](C)c2cccc(O)c2)c1	ZINC000037151382	524770686	/nfs/dbraw/zinc/77/06/86/524770686.db2.gz	JIQPTUJYYFTXIK-RYUDHWBXSA-N	0	3	287.359	3.518	10	10		CHCEHN
Cc1ccc(O)c(CN[C@H](C)c2ccc(F)c(F)c2)c1	ZINC000071407304	525353377	/nfs/dbraw/zinc/35/33/77/525353377.db2.gz	RHFLPIYJTDHHOE-LLVKDONJSA-N	0	3	277.314	3.830	10	10		CHCEHN
Cc1ccc([O-])c(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1	ZINC000071407304	525353383	/nfs/dbraw/zinc/35/33/83/525353383.db2.gz	RHFLPIYJTDHHOE-LLVKDONJSA-N	0	3	277.314	3.830	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1	ZINC000281826213	525362315	/nfs/dbraw/zinc/36/23/15/525362315.db2.gz	ZZHXAGQJYQJQCT-IHRRRGAJSA-N	0	3	277.408	3.555	10	10		CHCEHN
CC1CCC(CC[NH2+]Cc2cc(F)ccc2[O-])CC1	ZINC000232815770	567215894	/nfs/dbraw/zinc/21/58/94/567215894.db2.gz	HXDAXFNDAASSAX-UHFFFAOYSA-N	0	3	265.372	3.837	10	10		CHCEHN
CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]Cc1ccccc1[O-])C2	ZINC000004977843	170048052	/nfs/dbraw/zinc/04/80/52/170048052.db2.gz	AVTKPBRAYCSVAB-YSVLISHTSA-N	0	3	259.393	3.697	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c([O-])c1	ZINC000020148083	171036149	/nfs/dbraw/zinc/03/61/49/171036149.db2.gz	DAYURFHRUISXGN-VXGBXAGGSA-N	0	3	289.350	3.952	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c([O-])c1	ZINC000020148648	171037163	/nfs/dbraw/zinc/03/71/63/171037163.db2.gz	PJXQQLIFYITJEG-MNOVXSKESA-N	0	3	277.389	3.874	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1COc2ccccc21	ZINC000183629357	329251474	/nfs/dbraw/zinc/25/14/74/329251474.db2.gz	AYVOWCXRBMOLRH-ZENOOKHLSA-N	0	3	283.371	3.608	10	10		CHCEHN
Cc1cccc(CN[C@H]2CCOc3c(C)cccc32)c1O	ZINC000188128432	329364990	/nfs/dbraw/zinc/36/49/90/329364990.db2.gz	PSHGJMPWUARCTI-INIZCTEOSA-N	0	3	283.371	3.622	10	10		CHCEHN
COc1ccc(O)c([C@H](C)N[C@H]2CCOc3ccccc32)c1	ZINC000192795108	534204528	/nfs/dbraw/zinc/20/45/28/534204528.db2.gz	FOJWTHKBAWQNTC-LRDDRELGSA-N	0	3	299.370	3.575	10	10		CHCEHN
CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1	ZINC000036958405	524026515	/nfs/dbraw/zinc/02/65/15/524026515.db2.gz	HULQIUWCWSUHMA-CYBMUJFWSA-N	0	3	255.361	3.805	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1[O-])C1CCCCC1	ZINC000052332670	525603793	/nfs/dbraw/zinc/60/37/93/525603793.db2.gz	VSKPJNYHMVZOGF-NEPJUHHUSA-N	0	3	263.381	3.717	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])o1	ZINC000094617239	525747086	/nfs/dbraw/zinc/74/70/86/525747086.db2.gz	GXBDXFJSFDEQTM-GHMZBOCLSA-N	0	3	263.312	3.845	10	10		CHCEHN
C[C@@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccccn1	ZINC000020123304	171004470	/nfs/dbraw/zinc/00/44/70/171004470.db2.gz	ARVQJBPUHZHQRF-CYBMUJFWSA-N	0	3	278.355	3.791	10	10		CHCEHN
CCCCCC[NH2+][C@H](C)c1ccc(OC)cc1[O-]	ZINC000020143703	171029134	/nfs/dbraw/zinc/02/91/34/171029134.db2.gz	FDQULXSZXDYVMV-GFCCVEGCSA-N	0	3	251.370	3.632	10	10		CHCEHN
C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000183629319	329251483	/nfs/dbraw/zinc/25/14/83/329251483.db2.gz	AYVOWCXRBMOLRH-XEZPLFJOSA-N	0	3	283.371	3.608	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c([O-])c1	ZINC000020095978	170995068	/nfs/dbraw/zinc/99/50/68/170995068.db2.gz	UPPLBLJFDIEKBF-VXGBXAGGSA-N	0	3	289.350	3.952	10	10		CHCEHN
Cc1ccc([O-])c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccncc1	ZINC000020121491	171001184	/nfs/dbraw/zinc/00/11/84/171001184.db2.gz	YIQAKANNWRWZKG-VNHYZAJKSA-N	0	3	282.387	3.995	10	10		CHCEHN
COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2cccs2)c1	ZINC000020148374	171036089	/nfs/dbraw/zinc/03/60/89/171036089.db2.gz	YMFUDVRVHGXNOY-GHMZBOCLSA-N	0	3	277.389	3.874	10	10		CHCEHN
Cc1ccc(O)c(CN[C@H](C)c2ccccc2F)c1	ZINC000071408051	176156796	/nfs/dbraw/zinc/15/67/96/176156796.db2.gz	FWXUIAGXLNXTGS-GFCCVEGCSA-N	0	3	259.324	3.691	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1	ZINC000185627784	329327985	/nfs/dbraw/zinc/32/79/85/329327985.db2.gz	WPSOVWOOILQZBT-UAGQMJEPSA-N	0	3	299.418	3.732	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1	ZINC000186175895	329338927	/nfs/dbraw/zinc/33/89/27/329338927.db2.gz	OYPUDHFFPBFSDL-ZQIUZPCESA-N	0	3	297.398	3.916	10	10		CHCEHN
CC[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000248584578	329895104	/nfs/dbraw/zinc/89/51/04/329895104.db2.gz	XEJFTSADRBKDSW-XKQJLSEDSA-N	0	3	297.398	3.998	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])o1	ZINC000094617237	525738813	/nfs/dbraw/zinc/73/88/13/525738813.db2.gz	GXBDXFJSFDEQTM-WDEREUQCSA-N	0	3	263.312	3.845	10	10		CHCEHN
C[C@@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccncc1	ZINC000020121167	171000197	/nfs/dbraw/zinc/00/01/97/171000197.db2.gz	UMDZTRNWQDOXSF-CYBMUJFWSA-N	0	3	278.355	3.791	10	10		CHCEHN
CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1[O-]	ZINC000020121426	171000267	/nfs/dbraw/zinc/00/02/67/171000267.db2.gz	AVLXJFPNHIQPPF-WFASDCNBSA-N	0	3	256.349	3.589	10	10		CHCEHN
Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)c1ccncc1	ZINC000020121492	171001454	/nfs/dbraw/zinc/00/14/54/171001454.db2.gz	YIQAKANNWRWZKG-KCQAQPDRSA-N	0	3	282.387	3.995	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)c([O-])c1	ZINC000020148651	171037175	/nfs/dbraw/zinc/03/71/75/171037175.db2.gz	PJXQQLIFYITJEG-WDEREUQCSA-N	0	3	277.389	3.874	10	10		CHCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccncc2)c1	ZINC000035628759	172308476	/nfs/dbraw/zinc/30/84/76/172308476.db2.gz	LJPAVKFIEZBHRE-CHWSQXEVSA-N	0	3	256.349	3.507	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c([O-])c1	ZINC000186176196	329339080	/nfs/dbraw/zinc/33/90/80/329339080.db2.gz	QXLIDXLUKWDVSC-ZQIUZPCESA-N	0	3	297.398	3.916	10	10		CHCEHN
C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccccc1[O-]	ZINC000248385662	329890804	/nfs/dbraw/zinc/89/08/04/329890804.db2.gz	JLSUSDFJRMCHTC-ZHCSWWCTSA-N	0	3	279.383	3.629	10	10		CHCEHN
[O-]c1ccc(F)cc1C[NH2+]C1CCC(C(F)(F)F)CC1	ZINC000226584289	333265638	/nfs/dbraw/zinc/26/56/38/333265638.db2.gz	IVASUIZEJXXBMQ-UHFFFAOYSA-N	0	3	291.288	3.742	10	10		CHCEHN
CCc1ccc([C@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1	ZINC000036958493	524046617	/nfs/dbraw/zinc/04/66/17/524046617.db2.gz	IYWJKWNXLFEAAH-ZDUSSCGKSA-N	0	3	285.387	3.814	10	10		CHCEHN
COc1ccc(O)c([C@@H](C)N[C@H](C)c2cccc(O)c2)c1	ZINC000037151392	524764932	/nfs/dbraw/zinc/76/49/32/524764932.db2.gz	JIQPTUJYYFTXIK-VXGBXAGGSA-N	0	3	287.359	3.518	10	10		CHCEHN
COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cccc(O)c2)c1	ZINC000037151389	524766285	/nfs/dbraw/zinc/76/62/85/524766285.db2.gz	JIQPTUJYYFTXIK-NWDGAFQWSA-N	0	3	287.359	3.518	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)c([O-])c1	ZINC000192926743	525742541	/nfs/dbraw/zinc/74/25/41/525742541.db2.gz	BXJZAMRDXQTQRC-QAPCUYQASA-N	0	3	298.430	3.654	10	10		CHCEHN
COc1cccc(CN[C@@H](C)c2ccc(F)c(F)c2)c1O	ZINC000036953174	526032545	/nfs/dbraw/zinc/03/25/45/526032545.db2.gz	DWOQOKXHOJNRRJ-JTQLQIEISA-N	0	3	293.313	3.530	10	10		CHCEHN
CCOc1ccc2c(c1)nc1ccc([N+](=O)[O-])cc1c2NC	ZINC000005466680	170102199	/nfs/dbraw/zinc/10/21/99/170102199.db2.gz	CNPIVLSBPWCFQB-UHFFFAOYSA-N	0	3	297.314	3.737	10	10		CHCEHN
C[C@H]([NH2+]Cc1ccc(O)cc1[O-])c1ccc(Cl)cc1	ZINC000020121902	171001958	/nfs/dbraw/zinc/00/19/58/171001958.db2.gz	QLYPDVQRMYZTCX-JTQLQIEISA-N	0	3	277.751	3.602	10	10		CHCEHN
CCCCC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000036792288	172710760	/nfs/dbraw/zinc/71/07/60/172710760.db2.gz	XGZPCEDZKPFIKW-VXGBXAGGSA-N	0	3	251.370	3.717	10	10		CHCEHN
CC[C@@H]([NH2+][C@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000070529260	326917789	/nfs/dbraw/zinc/91/77/89/326917789.db2.gz	LKWSDUBYKRBHNL-CABCVRRESA-N	0	3	269.344	3.567	10	10		CHCEHN
Cc1ccccc1[C@H](C)[NH2+]Cc1cc(F)ccc1[O-]	ZINC000226582441	525415606	/nfs/dbraw/zinc/41/56/06/525415606.db2.gz	XSFQXFKCCVWCSD-LBPRGKRZSA-N	0	3	259.324	3.691	10	10		CHCEHN
COc1cccc(CN[C@@H](C)c2cccc(Cl)c2)c1O	ZINC000020124238	171006451	/nfs/dbraw/zinc/00/64/51/171006451.db2.gz	KGPUZTKGSIQRJA-NSHDSACASA-N	0	3	291.778	3.905	10	10		CHCEHN
COc1cccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1[O-]	ZINC000020124238	171006452	/nfs/dbraw/zinc/00/64/52/171006452.db2.gz	KGPUZTKGSIQRJA-NSHDSACASA-N	0	3	291.778	3.905	10	10		CHCEHN
Cc1ccccc1[C@@H](C)N[C@@H](C)c1cc(O)ccc1O	ZINC000020126236	171010304	/nfs/dbraw/zinc/01/03/04/171010304.db2.gz	OZHFCYNBPCBDAF-OLZOCXBDSA-N	0	3	271.360	3.818	10	10		CHCEHN
Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000020126236	171010306	/nfs/dbraw/zinc/01/03/06/171010306.db2.gz	OZHFCYNBPCBDAF-OLZOCXBDSA-N	0	3	271.360	3.818	10	10		CHCEHN
C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccc(F)c1	ZINC000020147885	171035323	/nfs/dbraw/zinc/03/53/23/171035323.db2.gz	KTXNBKYBSHOKSW-QWRGUYRKSA-N	0	3	275.323	3.649	10	10		CHCEHN
Cc1cccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)c1[O-]	ZINC000179963505	329214067	/nfs/dbraw/zinc/21/40/67/329214067.db2.gz	MDOINXFXFSWTKQ-CQSZACIVSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1[O-]	ZINC000179963505	329214068	/nfs/dbraw/zinc/21/40/68/329214068.db2.gz	MDOINXFXFSWTKQ-CQSZACIVSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1[O-]	ZINC000180193206	329218409	/nfs/dbraw/zinc/21/84/09/329218409.db2.gz	KHTFVBWXXLMYJR-AWEZNQCLSA-N	0	3	257.333	3.631	10	10		CHCEHN
Cc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1[O-]	ZINC000180193206	329218411	/nfs/dbraw/zinc/21/84/11/329218411.db2.gz	KHTFVBWXXLMYJR-AWEZNQCLSA-N	0	3	257.333	3.631	10	10		CHCEHN
C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccccc1[O-]	ZINC000248385660	329890778	/nfs/dbraw/zinc/89/07/78/329890778.db2.gz	JLSUSDFJRMCHTC-CTSOBWNQSA-N	0	3	279.383	3.629	10	10		CHCEHN
CCOc1cccc(C[NH2+][C@H](C)c2cccs2)c1[O-]	ZINC000020148287	521374405	/nfs/dbraw/zinc/37/44/05/521374405.db2.gz	TUKPAIXIHRPOAY-LLVKDONJSA-N	0	3	277.389	3.703	10	10		CHCEHN
CC[C@H]([NH2+][C@H](C)[C@@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000156919973	522735365	/nfs/dbraw/zinc/73/53/65/522735365.db2.gz	XEJFTSADRBKDSW-COXVUDFISA-N	0	3	297.398	3.998	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccsc2)c([O-])c1	ZINC000061360947	525161574	/nfs/dbraw/zinc/16/15/74/525161574.db2.gz	MVFDBPCCRVNCGC-WDEREUQCSA-N	0	3	277.389	3.874	10	10		CHCEHN
COc1cccc(CN[C@H](C)c2ccc(F)c(F)c2)c1O	ZINC000036953175	526037223	/nfs/dbraw/zinc/03/72/23/526037223.db2.gz	DWOQOKXHOJNRRJ-SNVBAGLBSA-N	0	3	293.313	3.530	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccc(F)c1	ZINC000020147884	171035360	/nfs/dbraw/zinc/03/53/60/171035360.db2.gz	KTXNBKYBSHOKSW-MNOVXSKESA-N	0	3	275.323	3.649	10	10		CHCEHN
C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(O)cc1[O-]	ZINC000020148309	171036046	/nfs/dbraw/zinc/03/60/46/171036046.db2.gz	OKKFALFLCROQTR-ZJUUUORDSA-N	0	3	263.362	3.571	10	10		CHCEHN
COc1ccc(O)c([C@@H](C)N[C@H]2CCOc3ccccc32)c1	ZINC000192795122	534203767	/nfs/dbraw/zinc/20/37/67/534203767.db2.gz	FOJWTHKBAWQNTC-WBMJQRKESA-N	0	3	299.370	3.575	10	10		CHCEHN
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1[O-]	ZINC000094617407	525627074	/nfs/dbraw/zinc/62/70/74/525627074.db2.gz	WHHVHZKDGNPILL-NHYWBVRUSA-N	0	3	287.334	3.706	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+]CC2CCCCC2)c([O-])c1	ZINC000037259309	173069136	/nfs/dbraw/zinc/06/91/36/173069136.db2.gz	QGMDMOMUEFGDCB-GFCCVEGCSA-N	0	3	263.381	3.632	10	10		CHCEHN
[O-]c1ccccc1C[N@H+]1CC=C(c2cccs2)CC1	ZINC000179577805	329209797	/nfs/dbraw/zinc/20/97/97/329209797.db2.gz	QEFZVVAUPTXYOA-UHFFFAOYSA-N	0	3	271.385	3.743	10	10		CHCEHN
[O-]c1ccccc1C[N@@H+]1CC=C(c2cccs2)CC1	ZINC000179577805	329209798	/nfs/dbraw/zinc/20/97/98/329209798.db2.gz	QEFZVVAUPTXYOA-UHFFFAOYSA-N	0	3	271.385	3.743	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c([O-])c1	ZINC000185628187	329328087	/nfs/dbraw/zinc/32/80/87/329328087.db2.gz	ISPBDSKRSTUGBN-UAGQMJEPSA-N	0	3	299.418	3.732	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c([O-])c1	ZINC000185628224	329328090	/nfs/dbraw/zinc/32/80/90/329328090.db2.gz	ISPBDSKRSTUGBN-XIRDDKMYSA-N	0	3	299.418	3.732	10	10		CHCEHN
CC[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000156919683	522692747	/nfs/dbraw/zinc/69/27/47/522692747.db2.gz	XEJFTSADRBKDSW-JQFCIGGWSA-N	0	3	297.398	3.998	10	10		CHCEHN
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074394	525578414	/nfs/dbraw/zinc/57/84/14/525578414.db2.gz	WNNCNQGTSYYWAA-SWLSCSKDSA-N	0	3	269.344	3.567	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+]C2CCCCCC2)c([O-])c1	ZINC000020122673	171003260	/nfs/dbraw/zinc/00/32/60/171003260.db2.gz	OCISMECFXPSWNB-GFCCVEGCSA-N	0	3	263.381	3.774	10	10		CHCEHN
C[C@@H](NCc1ccc(O)cc1O)c1ccccc1Cl	ZINC000020124014	171005798	/nfs/dbraw/zinc/00/57/98/171005798.db2.gz	ZDWOFJBNAAWUKK-SNVBAGLBSA-N	0	3	277.751	3.602	10	10		CHCEHN
C[C@H]([NH2+]Cc1ccccc1[O-])c1cccc(Cl)c1	ZINC000020124195	171006629	/nfs/dbraw/zinc/00/66/29/171006629.db2.gz	DXNSGRWPGBZKCU-NSHDSACASA-N	0	3	261.752	3.896	10	10		CHCEHN
COc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1[O-]	ZINC000020126194	171010236	/nfs/dbraw/zinc/01/02/36/171010236.db2.gz	WJMQVDONEUXTTD-ZDUSSCGKSA-N	0	3	271.360	3.560	10	10		CHCEHN
COCCN[C@H](C)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020551001	171247082	/nfs/dbraw/zinc/24/70/82/171247082.db2.gz	MQNPUJCIYYSOEK-CQSZACIVSA-N	0	3	294.414	3.503	10	10		CHCEHN
CC[C@@H]([NH2+][C@@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000070529258	326917738	/nfs/dbraw/zinc/91/77/38/326917738.db2.gz	LKWSDUBYKRBHNL-HUUCEWRRSA-N	0	3	269.344	3.567	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccsc2)c([O-])c1	ZINC000061360945	525329810	/nfs/dbraw/zinc/32/98/10/525329810.db2.gz	MVFDBPCCRVNCGC-QWRGUYRKSA-N	0	3	277.389	3.874	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])o1	ZINC000094617238	525935896	/nfs/dbraw/zinc/93/58/96/525935896.db2.gz	GXBDXFJSFDEQTM-QWRGUYRKSA-N	0	3	263.312	3.845	10	10		CHCEHN
COc1ccc([O-])c(C[NH2+]CCC2CCC(C)CC2)c1	ZINC000070547356	567888971	/nfs/dbraw/zinc/88/89/71/567888971.db2.gz	DMXYMILJHIKEDH-UHFFFAOYSA-N	0	3	277.408	3.707	10	10		CHCEHN
[O-]c1ccc2ccccc2c1C[NH2+]Cc1cccs1	ZINC000020138958	171026165	/nfs/dbraw/zinc/02/61/65/171026165.db2.gz	ZWFFEJZMWGQXJO-UHFFFAOYSA-N	0	3	269.369	3.897	10	10		CHCEHN
C[C@@H](N[C@H](C)c1cc(O)ccc1O)c1cccc(F)c1	ZINC000020147918	171035208	/nfs/dbraw/zinc/03/52/08/171035208.db2.gz	ZWAOEUCBPPHNFR-GHMZBOCLSA-N	0	3	275.323	3.649	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c([O-])c1	ZINC000020148649	171037017	/nfs/dbraw/zinc/03/70/17/171037017.db2.gz	PJXQQLIFYITJEG-QWRGUYRKSA-N	0	3	277.389	3.874	10	10		CHCEHN
C[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1[O-]	ZINC000020209727	171073395	/nfs/dbraw/zinc/07/33/95/171073395.db2.gz	GTFMBSXPBOROGO-SNVBAGLBSA-N	0	3	277.751	3.602	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+]CC2CCCCC2)c([O-])c1	ZINC000037259307	173069348	/nfs/dbraw/zinc/06/93/48/173069348.db2.gz	QGMDMOMUEFGDCB-LBPRGKRZSA-N	0	3	263.381	3.632	10	10		CHCEHN
Cc1ccccc1[C@H](C)NCc1ccc2c(c1)CCO2	ZINC000037362791	260094534	/nfs/dbraw/zinc/09/45/34/260094534.db2.gz	HUIOYIULRYAZQF-AWEZNQCLSA-N	0	3	267.372	3.781	10	10		CHCEHN
COc1cc(Cl)cc(CN[C@H](C)c2ccc(C)o2)c1O	ZINC000184704750	262294690	/nfs/dbraw/zinc/29/46/90/262294690.db2.gz	UOCLBPYPFUMENT-SNVBAGLBSA-N	0	3	295.766	3.806	10	10		CHCEHN
[O-]c1ccccc1C[NH+]1CCC(OCC2CCCC2)CC1	ZINC000179583225	329210118	/nfs/dbraw/zinc/21/01/18/329210118.db2.gz	KMRSHZVBAXCDRJ-UHFFFAOYSA-N	0	3	289.419	3.563	10	10		CHCEHN
Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1[O-]	ZINC000180193183	329218402	/nfs/dbraw/zinc/21/84/02/329218402.db2.gz	KHTFVBWXXLMYJR-CQSZACIVSA-N	0	3	257.333	3.631	10	10		CHCEHN
Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1[O-]	ZINC000180193183	329218404	/nfs/dbraw/zinc/21/84/04/329218404.db2.gz	KHTFVBWXXLMYJR-CQSZACIVSA-N	0	3	257.333	3.631	10	10		CHCEHN
Cc1ccc(O)c([C@H](C)N[C@H]2CCOc3ccccc32)c1	ZINC000037074425	525364173	/nfs/dbraw/zinc/36/41/73/525364173.db2.gz	FXGLZUSGAPOXRT-BBRMVZONSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOc3ccccc32)c1	ZINC000037074425	525364178	/nfs/dbraw/zinc/36/41/78/525364178.db2.gz	FXGLZUSGAPOXRT-BBRMVZONSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c([O-])c1	ZINC000037074227	525940309	/nfs/dbraw/zinc/94/03/09/525940309.db2.gz	JGEOLGOSKXFSCB-XJKSGUPXSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccccc1[C@H](C)N[C@@H](C)c1cc(O)ccc1O	ZINC000020126237	171010633	/nfs/dbraw/zinc/01/06/33/171010633.db2.gz	OZHFCYNBPCBDAF-STQMWFEESA-N	0	3	271.360	3.818	10	10		CHCEHN
Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000020126237	171010634	/nfs/dbraw/zinc/01/06/34/171010634.db2.gz	OZHFCYNBPCBDAF-STQMWFEESA-N	0	3	271.360	3.818	10	10		CHCEHN
C[C@@H](N[C@@H](C)c1cc(O)ccc1O)c1cccs1	ZINC000020148358	171036026	/nfs/dbraw/zinc/03/60/26/171036026.db2.gz	FHSJLEWONJCPQX-VHSXEESVSA-N	0	3	263.362	3.571	10	10		CHCEHN
C[C@@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccco1	ZINC000035739054	172393050	/nfs/dbraw/zinc/39/30/50/172393050.db2.gz	AAFFXJQRARBTMG-GFCCVEGCSA-N	0	3	267.328	3.989	10	10		CHCEHN
Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccccc2C)c1	ZINC000071406415	176156031	/nfs/dbraw/zinc/15/60/31/176156031.db2.gz	DOZOABBJCHYAGX-AWEZNQCLSA-N	0	3	255.361	3.860	10	10		CHCEHN
Cc1cccc2c1OCC[C@@H]2NCc1ccc2c(c1)CCO2	ZINC000188952919	329376130	/nfs/dbraw/zinc/37/61/30/329376130.db2.gz	MWBXITRCZKKNRT-KRWDZBQOSA-N	0	3	295.382	3.543	10	10		CHCEHN
COc1ccc(O)c(CN[C@@H](C)c2ccc(F)c(F)c2)c1	ZINC000036953029	524752463	/nfs/dbraw/zinc/75/24/63/524752463.db2.gz	BEOFAOXBWUNMKZ-JTQLQIEISA-N	0	3	293.313	3.530	10	10		CHCEHN
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1[O-]	ZINC000094617405	525576202	/nfs/dbraw/zinc/57/62/02/525576202.db2.gz	WHHVHZKDGNPILL-XHDPSFHLSA-N	0	3	287.334	3.706	10	10		CHCEHN
COc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1[O-]	ZINC000037772075	526031810	/nfs/dbraw/zinc/03/18/10/526031810.db2.gz	FICYFIKTSZGTEA-AWEZNQCLSA-N	0	3	285.387	3.868	10	10		CHCEHN
C[C@@H]([NH2+]C/C=C\c1ccccc1)c1cc(F)ccc1[O-]	ZINC000588449442	1118791298	/nfs/dbraw/zinc/79/12/98/1118791298.db2.gz	PIECKWORKGEWGM-DMTLFAOVSA-N	0	3	271.335	3.895	10	10		CHCEHN
C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1[O-])c1cccs1	ZINC000020148307	171036323	/nfs/dbraw/zinc/03/63/23/171036323.db2.gz	OKKFALFLCROQTR-UWVGGRQHSA-N	0	3	263.362	3.571	10	10		CHCEHN
Cc1cc([C@H](C)NCc2ccc(O)c(O)c2)c(C)s1	ZINC000035252994	172082353	/nfs/dbraw/zinc/08/23/53/172082353.db2.gz	MFOKWTGQQQUTQH-JTQLQIEISA-N	0	3	277.389	3.627	10	10		CHCEHN
C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cc(O)ccc1[O-]	ZINC000052332672	525655705	/nfs/dbraw/zinc/65/57/05/525655705.db2.gz	VSKPJNYHMVZOGF-VXGBXAGGSA-N	0	3	263.381	3.717	10	10		CHCEHN
COc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1[O-]	ZINC000037772074	526037572	/nfs/dbraw/zinc/03/75/72/526037572.db2.gz	FICYFIKTSZGTEA-CQSZACIVSA-N	0	3	285.387	3.868	10	10		CHCEHN
CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1[O-]	ZINC000104443153	186004078	/nfs/dbraw/zinc/00/40/78/186004078.db2.gz	CSUZRHCHMPYBSB-RYUDHWBXSA-N	0	3	265.397	3.876	10	10		CHCEHN
CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000020122923	171003629	/nfs/dbraw/zinc/00/36/29/171003629.db2.gz	ODKQEBXHAYFGHG-NWDGAFQWSA-N	0	3	251.370	3.573	10	10		CHCEHN
CCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1[O-]	ZINC000020129768	171018536	/nfs/dbraw/zinc/01/85/36/171018536.db2.gz	HOPFTPJWVTZHOY-INIZCTEOSA-N	0	3	283.371	3.568	10	10		CHCEHN
COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1	ZINC000020148372	171036071	/nfs/dbraw/zinc/03/60/71/171036071.db2.gz	YMFUDVRVHGXNOY-MNOVXSKESA-N	0	3	277.389	3.874	10	10		CHCEHN
C[C@@H](N[C@H](C)c1cc(O)ccc1O)c1cccs1	ZINC000020148360	171036333	/nfs/dbraw/zinc/03/63/33/171036333.db2.gz	FHSJLEWONJCPQX-NXEZZACHSA-N	0	3	263.362	3.571	10	10		CHCEHN
C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000248383688	329890786	/nfs/dbraw/zinc/89/07/86/329890786.db2.gz	AYVOWCXRBMOLRH-HEHGZKQESA-N	0	3	283.371	3.608	10	10		CHCEHN
CCc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1	ZINC000036958406	524046300	/nfs/dbraw/zinc/04/63/00/524046300.db2.gz	HULQIUWCWSUHMA-ZDUSSCGKSA-N	0	3	255.361	3.805	10	10		CHCEHN
CCc1ccc([C@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1	ZINC000036958354	524046433	/nfs/dbraw/zinc/04/64/33/524046433.db2.gz	ONGUBRQQOJVPPQ-ZDUSSCGKSA-N	0	3	285.387	3.814	10	10		CHCEHN
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1[O-]	ZINC000094617406	525648928	/nfs/dbraw/zinc/64/89/28/525648928.db2.gz	WHHVHZKDGNPILL-IAQYHMDHSA-N	0	3	287.334	3.706	10	10		CHCEHN
C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1	ZINC000020121899	171001105	/nfs/dbraw/zinc/00/11/05/171001105.db2.gz	AHNJLWRKDRPAJN-LLVKDONJSA-N	0	3	261.752	3.896	10	10		CHCEHN
C[C@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccccn1	ZINC000020123305	171003943	/nfs/dbraw/zinc/00/39/43/171003943.db2.gz	ARVQJBPUHZHQRF-ZDUSSCGKSA-N	0	3	278.355	3.791	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c([O-])c1	ZINC000020148084	171035861	/nfs/dbraw/zinc/03/58/61/171035861.db2.gz	DAYURFHRUISXGN-NEPJUHHUSA-N	0	3	289.350	3.952	10	10		CHCEHN
CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074301	260067006	/nfs/dbraw/zinc/06/70/06/260067006.db2.gz	MJGASHKWFQUKEQ-HZPDHXFCSA-N	0	3	283.371	3.957	10	10		CHCEHN
Cc1csc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1	ZINC000179567143	329209908	/nfs/dbraw/zinc/20/99/08/329209908.db2.gz	ULELZCKOHKJPLS-AWEZNQCLSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1csc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1	ZINC000179567143	329209909	/nfs/dbraw/zinc/20/99/09/329209909.db2.gz	ULELZCKOHKJPLS-AWEZNQCLSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2COc3ccccc32)c([O-])c1	ZINC000248520334	329891239	/nfs/dbraw/zinc/89/12/39/329891239.db2.gz	QXLIDXLUKWDVSC-JJRVBVJISA-N	0	3	297.398	3.916	10	10		CHCEHN
CC[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1[O-]	ZINC000248585253	329895082	/nfs/dbraw/zinc/89/50/82/329895082.db2.gz	XJWSWROGSVCAOU-GVDBMIGSSA-N	0	3	299.418	3.813	10	10		CHCEHN
CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1[O-]	ZINC000156168707	522713367	/nfs/dbraw/zinc/71/33/67/522713367.db2.gz	XJWSWROGSVCAOU-BBWFWOEESA-N	0	3	299.418	3.813	10	10		CHCEHN
CCc1ccc([C@@H](C)[NH2+]Cc2cc(OC)ccc2[O-])cc1	ZINC000036958353	524025208	/nfs/dbraw/zinc/02/52/08/524025208.db2.gz	ONGUBRQQOJVPPQ-CYBMUJFWSA-N	0	3	285.387	3.814	10	10		CHCEHN
CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)cc1[O-]	ZINC000104443150	186004392	/nfs/dbraw/zinc/00/43/92/186004392.db2.gz	CSUZRHCHMPYBSB-NEPJUHHUSA-N	0	3	265.397	3.876	10	10		CHCEHN
C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccc(Cl)c1	ZINC000020124196	171006181	/nfs/dbraw/zinc/00/61/81/171006181.db2.gz	UOQJEMCUFNNZGV-SNVBAGLBSA-N	0	3	277.751	3.602	10	10		CHCEHN
C[C@H](N[C@@H](C)c1cc(O)ccc1O)c1cccc(F)c1	ZINC000020147917	171035180	/nfs/dbraw/zinc/03/51/80/171035180.db2.gz	ZWAOEUCBPPHNFR-QWRGUYRKSA-N	0	3	275.323	3.649	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccncc2)c1	ZINC000035628760	172308087	/nfs/dbraw/zinc/30/80/87/172308087.db2.gz	LJPAVKFIEZBHRE-OLZOCXBDSA-N	0	3	256.349	3.507	10	10		CHCEHN
C[C@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccco1	ZINC000035739053	172393597	/nfs/dbraw/zinc/39/35/97/172393597.db2.gz	AAFFXJQRARBTMG-LBPRGKRZSA-N	0	3	267.328	3.989	10	10		CHCEHN
Cc1cc(C)cc(CN(C)Cc2ccc(N)cc2)c1	ZINC000038076866	174087624	/nfs/dbraw/zinc/08/76/24/174087624.db2.gz	MFHTVTRYROALFC-UHFFFAOYSA-N	0	3	254.377	3.518	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+][C@H](C)c2ccsc2)c([O-])c1	ZINC000061360946	525334743	/nfs/dbraw/zinc/33/47/43/525334743.db2.gz	MVFDBPCCRVNCGC-MNOVXSKESA-N	0	3	277.389	3.874	10	10		CHCEHN
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074395	525647685	/nfs/dbraw/zinc/64/76/85/525647685.db2.gz	WNNCNQGTSYYWAA-IUODEOHRSA-N	0	3	269.344	3.567	10	10		CHCEHN
COc1ccc([O-])c(C[NH2+][C@@H](C)c2ccccc2C)c1	ZINC000020126368	171010231	/nfs/dbraw/zinc/01/02/31/171010231.db2.gz	OICYUGLQFFLLSF-ZDUSSCGKSA-N	0	3	271.360	3.560	10	10		CHCEHN
Cc1ccccc1[C@@H](C)N[C@H](C)c1cc(O)ccc1O	ZINC000020126238	171010564	/nfs/dbraw/zinc/01/05/64/171010564.db2.gz	OZHFCYNBPCBDAF-CHWSQXEVSA-N	0	3	271.360	3.818	10	10		CHCEHN
Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000020126238	171010565	/nfs/dbraw/zinc/01/05/65/171010565.db2.gz	OZHFCYNBPCBDAF-CHWSQXEVSA-N	0	3	271.360	3.818	10	10		CHCEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2cccs2)c1	ZINC000020148375	171035840	/nfs/dbraw/zinc/03/58/40/171035840.db2.gz	YMFUDVRVHGXNOY-WDEREUQCSA-N	0	3	277.389	3.874	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1	ZINC000185627820	329328095	/nfs/dbraw/zinc/32/80/95/329328095.db2.gz	WPSOVWOOILQZBT-XIRDDKMYSA-N	0	3	299.418	3.732	10	10		CHCEHN
Cc1ccc(O)c(CN[C@H]2CCOc3c(C)cccc32)c1	ZINC000188951638	329376061	/nfs/dbraw/zinc/37/60/61/329376061.db2.gz	ZIVJYROHIHGEEH-INIZCTEOSA-N	0	3	283.371	3.622	10	10		CHCEHN
Cc1cccc2c1OCC[C@@H]2NCc1cc(C)c(C)cc1O	ZINC000188950310	329376210	/nfs/dbraw/zinc/37/62/10/329376210.db2.gz	VFGDNWAKGBWTBB-KRWDZBQOSA-N	0	3	297.398	3.931	10	10		CHCEHN
CCOc1cccc(CN[C@@H](C)c2ccc(C)o2)c1O	ZINC000036960265	521370236	/nfs/dbraw/zinc/37/02/36/521370236.db2.gz	VOAUNWHSSUQUBU-LBPRGKRZSA-N	0	3	275.348	3.543	10	10		CHCEHN
COc1ccc(O)c([C@H](C)N[C@H](C)c2cccc(O)c2)c1	ZINC000037151387	524775574	/nfs/dbraw/zinc/77/55/74/524775574.db2.gz	JIQPTUJYYFTXIK-NEPJUHHUSA-N	0	3	287.359	3.518	10	10		CHCEHN
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1[O-]	ZINC000094617408	525688736	/nfs/dbraw/zinc/68/87/36/525688736.db2.gz	WHHVHZKDGNPILL-ABAIWWIYSA-N	0	3	287.334	3.706	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2[O-])o1	ZINC000094617240	525941209	/nfs/dbraw/zinc/94/12/09/525941209.db2.gz	GXBDXFJSFDEQTM-MNOVXSKESA-N	0	3	263.312	3.845	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c([O-])c1	ZINC000020121763	171001047	/nfs/dbraw/zinc/00/10/47/171001047.db2.gz	LVGQPXJFEPVEPH-OLZOCXBDSA-N	0	3	256.349	3.507	10	10		CHCEHN
Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccncc1	ZINC000020121493	171001499	/nfs/dbraw/zinc/00/14/99/171001499.db2.gz	YIQAKANNWRWZKG-IPYPFGDCSA-N	0	3	282.387	3.995	10	10		CHCEHN
CC(C)CC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000020122929	171003561	/nfs/dbraw/zinc/00/35/61/171003561.db2.gz	AQUWLTQOCMPKIZ-NWDGAFQWSA-N	0	3	251.370	3.573	10	10		CHCEHN
COc1ccc(O)c(CN[C@@H](C)c2cccc(Cl)c2)c1	ZINC000020124328	171006651	/nfs/dbraw/zinc/00/66/51/171006651.db2.gz	XFYMTMBKPOOTSI-NSHDSACASA-N	0	3	291.778	3.905	10	10		CHCEHN
COc1ccc([O-])c(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1	ZINC000020124328	171006654	/nfs/dbraw/zinc/00/66/54/171006654.db2.gz	XFYMTMBKPOOTSI-NSHDSACASA-N	0	3	291.778	3.905	10	10		CHCEHN
Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-]	ZINC000020126208	171010581	/nfs/dbraw/zinc/01/05/81/171010581.db2.gz	LXVLOVUMZANBOZ-OLZOCXBDSA-N	0	3	271.360	3.818	10	10		CHCEHN
COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2cccs2)c1	ZINC000020148373	171035929	/nfs/dbraw/zinc/03/59/29/171035929.db2.gz	YMFUDVRVHGXNOY-QWRGUYRKSA-N	0	3	277.389	3.874	10	10		CHCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c1	ZINC000035628757	172308338	/nfs/dbraw/zinc/30/83/38/172308338.db2.gz	LJPAVKFIEZBHRE-QWHCGFSZSA-N	0	3	256.349	3.507	10	10		CHCEHN
CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074302	260067021	/nfs/dbraw/zinc/06/70/21/260067021.db2.gz	MJGASHKWFQUKEQ-HOTGVXAUSA-N	0	3	283.371	3.957	10	10		CHCEHN
CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074300	260067025	/nfs/dbraw/zinc/06/70/25/260067025.db2.gz	MJGASHKWFQUKEQ-JKSUJKDBSA-N	0	3	283.371	3.957	10	10		CHCEHN
Cc1cccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)c1[O-]	ZINC000179963486	329213978	/nfs/dbraw/zinc/21/39/78/329213978.db2.gz	MDOINXFXFSWTKQ-AWEZNQCLSA-N	0	3	288.416	3.537	10	10		CHCEHN
Cc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1[O-]	ZINC000179963486	329213980	/nfs/dbraw/zinc/21/39/80/329213980.db2.gz	MDOINXFXFSWTKQ-AWEZNQCLSA-N	0	3	288.416	3.537	10	10		CHCEHN
CCN(CC)c1ccc(CNCc2ccccc2OC)cc1	ZINC000013720630	567942069	/nfs/dbraw/zinc/94/20/69/567942069.db2.gz	MWFIQXMWLYLHOM-UHFFFAOYSA-N	0	3	298.430	3.831	10	10		CHCEHN
CC[C@H](C)[N@H+](Cc1ccncc1)Cc1cccc(C)c1[O-]	ZINC000055120153	570240879	/nfs/dbraw/zinc/24/08/79/570240879.db2.gz	YKXBHTVTKBKMBX-HNNXBMFYSA-N	0	3	284.403	3.896	10	10		CHCEHN
CC[C@H](C)[N@@H+](Cc1ccncc1)Cc1cccc(C)c1[O-]	ZINC000055120153	570240880	/nfs/dbraw/zinc/24/08/80/570240880.db2.gz	YKXBHTVTKBKMBX-HNNXBMFYSA-N	0	3	284.403	3.896	10	10		CHCEHN
C[C@H](NCc1cccnc1)c1ccc(N2CCCC2)c(F)c1	ZINC000020550925	570408328	/nfs/dbraw/zinc/40/83/28/570408328.db2.gz	BAAXYGLNXRQBAB-AWEZNQCLSA-N	0	3	299.393	3.672	10	10		CHCEHN
C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	ZINC000193002819	1123869628	/nfs/dbraw/zinc/86/96/28/1123869628.db2.gz	ZCZILMSRDJXKIZ-KDOFPFPSSA-N	0	3	296.414	3.927	10	10		CHCEHN
CCCC[NH2+][C@@H](C)c1cc(NC(=O)CCC)ccc1[O-]	ZINC000019907094	170919194	/nfs/dbraw/zinc/91/91/94/170919194.db2.gz	JHTRXIIVUOKIRF-LBPRGKRZSA-N	0	3	278.396	3.582	10	10		CHCEHN
C[C@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1ccncc1	ZINC000020121169	171000302	/nfs/dbraw/zinc/00/03/02/171000302.db2.gz	UMDZTRNWQDOXSF-ZDUSSCGKSA-N	0	3	278.355	3.791	10	10		CHCEHN
C[C@H](NCc1ccc(O)cc1O)c1ccccc1Cl	ZINC000020124015	171005650	/nfs/dbraw/zinc/00/56/50/171005650.db2.gz	ZDWOFJBNAAWUKK-JTQLQIEISA-N	0	3	277.751	3.602	10	10		CHCEHN
CC[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1[O-]	ZINC000156168932	522749814	/nfs/dbraw/zinc/74/98/14/522749814.db2.gz	XJWSWROGSVCAOU-ULQDDVLXSA-N	0	3	299.418	3.813	10	10		CHCEHN
Cc1cccc2c1OCC[C@@H]2NCc1ccc(N(C)C)cc1	ZINC000188952537	1120469998	/nfs/dbraw/zinc/46/99/98/1120469998.db2.gz	XMSQCWUUZXGIQM-SFHVURJKSA-N	0	3	296.414	3.674	10	10		CHCEHN
COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000020096822	170996887	/nfs/dbraw/zinc/99/68/87/170996887.db2.gz	TXIJGQKZMRUINR-VXGBXAGGSA-N	0	3	287.359	3.518	10	10		CHCEHN
CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-]	ZINC000020122920	171003457	/nfs/dbraw/zinc/00/34/57/171003457.db2.gz	ODKQEBXHAYFGHG-NEPJUHHUSA-N	0	3	251.370	3.573	10	10		CHCEHN
Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1[O-]	ZINC000020126210	171010318	/nfs/dbraw/zinc/01/03/18/171010318.db2.gz	LXVLOVUMZANBOZ-CHWSQXEVSA-N	0	3	271.360	3.818	10	10		CHCEHN
C[C@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1cccnc1	ZINC000020127539	171013289	/nfs/dbraw/zinc/01/32/89/171013289.db2.gz	YYFYXBSUGWHBML-ZDUSSCGKSA-N	0	3	278.355	3.791	10	10		CHCEHN
C[C@@H](N[C@@H](C)c1cc(O)ccc1O)c1cccc(F)c1	ZINC000020147916	171035499	/nfs/dbraw/zinc/03/54/99/171035499.db2.gz	ZWAOEUCBPPHNFR-MNOVXSKESA-N	0	3	275.323	3.649	10	10		CHCEHN
C[C@@H](N[C@@H](C)c1cccs1)c1cc(O)ccc1O	ZINC000020148361	171035764	/nfs/dbraw/zinc/03/57/64/171035764.db2.gz	FHSJLEWONJCPQX-ZJUUUORDSA-N	0	3	263.362	3.571	10	10		CHCEHN
Cc1cc([C@@H](C)NCc2ccc(O)c(O)c2)c(C)s1	ZINC000035252992	172082644	/nfs/dbraw/zinc/08/26/44/172082644.db2.gz	MFOKWTGQQQUTQH-SNVBAGLBSA-N	0	3	277.389	3.627	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1	ZINC000248516748	329891047	/nfs/dbraw/zinc/89/10/47/329891047.db2.gz	OYPUDHFFPBFSDL-GRDNDAEWSA-N	0	3	297.398	3.916	10	10		CHCEHN
COc1ccc(O)c(CN[C@H](C)c2ccc(F)c(F)c2)c1	ZINC000036953030	524755579	/nfs/dbraw/zinc/75/55/79/524755579.db2.gz	BEOFAOXBWUNMKZ-SNVBAGLBSA-N	0	3	293.313	3.530	10	10		CHCEHN
Cc1ccc(O)c([C@@H](C)N[C@H]2CCOc3ccccc32)c1	ZINC000037074424	525361996	/nfs/dbraw/zinc/36/19/96/525361996.db2.gz	FXGLZUSGAPOXRT-CJNGLKHVSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c1	ZINC000037074424	525362001	/nfs/dbraw/zinc/36/20/01/525362001.db2.gz	FXGLZUSGAPOXRT-CJNGLKHVSA-N	0	3	283.371	3.875	10	10		CHCEHN
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1[O-]	ZINC000037074396	525625848	/nfs/dbraw/zinc/62/58/48/525625848.db2.gz	WNNCNQGTSYYWAA-WFASDCNBSA-N	0	3	269.344	3.567	10	10		CHCEHN
CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccccc1[O-]	ZINC000020121430	171000463	/nfs/dbraw/zinc/00/04/63/171000463.db2.gz	AVLXJFPNHIQPPF-DOMZBBRYSA-N	0	3	256.349	3.589	10	10		CHCEHN
CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cc(O)ccc1[O-]	ZINC000020122928	171003378	/nfs/dbraw/zinc/00/33/78/171003378.db2.gz	AQUWLTQOCMPKIZ-VXGBXAGGSA-N	0	3	251.370	3.573	10	10		CHCEHN
CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1[O-]	ZINC000020122926	171003421	/nfs/dbraw/zinc/00/34/21/171003421.db2.gz	AQUWLTQOCMPKIZ-NEPJUHHUSA-N	0	3	251.370	3.573	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1	ZINC000186175926	329338904	/nfs/dbraw/zinc/33/89/04/329338904.db2.gz	OYPUDHFFPBFSDL-VBQJREDUSA-N	0	3	297.398	3.916	10	10		CHCEHN
Cc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)c([O-])c1	ZINC000037074228	525749776	/nfs/dbraw/zinc/74/97/76/525749776.db2.gz	JGEOLGOSKXFSCB-CJNGLKHVSA-N	0	3	283.371	3.875	10	10		CHCEHN
C[C@H]([NH2+]C/C=C\c1ccccc1)c1cc(F)ccc1[O-]	ZINC000588449443	1118791449	/nfs/dbraw/zinc/79/14/49/1118791449.db2.gz	PIECKWORKGEWGM-UJZCVKTISA-N	0	3	271.335	3.895	10	10		CHCEHN
CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1[O-]	ZINC000020121424	171000058	/nfs/dbraw/zinc/00/00/58/171000058.db2.gz	AVLXJFPNHIQPPF-SWLSCSKDSA-N	0	3	256.349	3.589	10	10		CHCEHN
C[C@@H]([NH2+]Cc1c([O-])ccc2ccccc21)c1cccnc1	ZINC000020127538	171013042	/nfs/dbraw/zinc/01/30/42/171013042.db2.gz	YYFYXBSUGWHBML-CYBMUJFWSA-N	0	3	278.355	3.791	10	10		CHCEHN
COc1cc(Cl)cc(CN[C@@H](C)c2ccc(C)o2)c1O	ZINC000184704769	262294606	/nfs/dbraw/zinc/29/46/06/262294606.db2.gz	UOCLBPYPFUMENT-JTQLQIEISA-N	0	3	295.766	3.806	10	10		CHCEHN
C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCc2cccc([O-])c21	ZINC000297637281	524580069	/nfs/dbraw/zinc/58/00/69/524580069.db2.gz	JOIFPHZJPLYOEX-RHSMWYFYSA-N	0	3	297.398	3.574	10	10		CHCEHN
C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCc2cccc([O-])c21	ZINC000297637286	524817915	/nfs/dbraw/zinc/81/79/15/524817915.db2.gz	JOIFPHZJPLYOEX-YOEHRIQHSA-N	0	3	297.398	3.574	10	10		CHCEHN
COc1ccc(C[NH2+]CCC2CCC(C)CC2)c([O-])c1	ZINC000070547377	567889031	/nfs/dbraw/zinc/88/90/31/567889031.db2.gz	VPKLDFTZAKVZAW-UHFFFAOYSA-N	0	3	277.408	3.707	10	10		CHCEHN
C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(N(C)C)cc1	ZINC000193002777	1123868944	/nfs/dbraw/zinc/86/89/44/1123868944.db2.gz	ZCZILMSRDJXKIZ-KBXCAEBGSA-N	0	3	296.414	3.927	10	10		CHCEHN
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c([O-])c1	ZINC000020121764	171000975	/nfs/dbraw/zinc/00/09/75/171000975.db2.gz	LVGQPXJFEPVEPH-STQMWFEESA-N	0	3	256.349	3.507	10	10		CHCEHN
CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-]	ZINC000020122921	171003250	/nfs/dbraw/zinc/00/32/50/171003250.db2.gz	ODKQEBXHAYFGHG-RYUDHWBXSA-N	0	3	251.370	3.573	10	10		CHCEHN
COc1ccc([C@H](C)[NH2+]C2CCCCCC2)c([O-])c1	ZINC000020122674	171003345	/nfs/dbraw/zinc/00/33/45/171003345.db2.gz	OCISMECFXPSWNB-LBPRGKRZSA-N	0	3	263.381	3.774	10	10		CHCEHN
Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1[O-]	ZINC000020126209	171010088	/nfs/dbraw/zinc/01/00/88/171010088.db2.gz	LXVLOVUMZANBOZ-STQMWFEESA-N	0	3	271.360	3.818	10	10		CHCEHN
C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1[O-])c1cccs1	ZINC000020148308	171035985	/nfs/dbraw/zinc/03/59/85/171035985.db2.gz	OKKFALFLCROQTR-NXEZZACHSA-N	0	3	263.362	3.571	10	10		CHCEHN
C[C@H]([NH2+]Cc1ccc(Cl)cc1)c1ccc(O)cc1[O-]	ZINC000020209730	171073268	/nfs/dbraw/zinc/07/32/68/171073268.db2.gz	GTFMBSXPBOROGO-JTQLQIEISA-N	0	3	277.751	3.602	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccncc2)c1	ZINC000035628758	172307839	/nfs/dbraw/zinc/30/78/39/172307839.db2.gz	LJPAVKFIEZBHRE-STQMWFEESA-N	0	3	256.349	3.507	10	10		CHCEHN
Cc1ccc([O-])c(C[NH2+][C@@H](C)c2ccc(F)cc2)c1	ZINC000071406321	176155781	/nfs/dbraw/zinc/15/57/81/176155781.db2.gz	KPWQLWVWXRLWFJ-LBPRGKRZSA-N	0	3	259.324	3.691	10	10		CHCEHN
CCc1ccc([C@@H](C)[NH2+]Cc2cccc(OC)c2[O-])cc1	ZINC000036958492	524026304	/nfs/dbraw/zinc/02/63/04/524026304.db2.gz	IYWJKWNXLFEAAH-CYBMUJFWSA-N	0	3	285.387	3.814	10	10		CHCEHN
Cc1ccc(O)c([C@H](C)N[C@@H]2CCOc3ccccc32)c1	ZINC000037074423	525364589	/nfs/dbraw/zinc/36/45/89/525364589.db2.gz	FXGLZUSGAPOXRT-XJKSGUPXSA-N	0	3	283.371	3.875	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1	ZINC000037074423	525364595	/nfs/dbraw/zinc/36/45/95/525364595.db2.gz	FXGLZUSGAPOXRT-XJKSGUPXSA-N	0	3	283.371	3.875	10	10		CHCEHN
C[C@@H](NCc1cccnc1)c1ccc(N2CCCC2)c(F)c1	ZINC000020550923	570408363	/nfs/dbraw/zinc/40/83/63/570408363.db2.gz	BAAXYGLNXRQBAB-CQSZACIVSA-N	0	3	299.393	3.672	10	10		CHCEHN
Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccncc1	ZINC000020121494	171001221	/nfs/dbraw/zinc/00/12/21/171001221.db2.gz	YIQAKANNWRWZKG-YDHLFZDLSA-N	0	3	282.387	3.995	10	10		CHCEHN
C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc(Cl)cc1	ZINC000020121900	171001726	/nfs/dbraw/zinc/00/17/26/171001726.db2.gz	AHNJLWRKDRPAJN-NSHDSACASA-N	0	3	261.752	3.896	10	10		CHCEHN
C[C@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccc(Cl)c1	ZINC000020124197	171006434	/nfs/dbraw/zinc/00/64/34/171006434.db2.gz	UOQJEMCUFNNZGV-JTQLQIEISA-N	0	3	277.751	3.602	10	10		CHCEHN
CCOc1cccc(C[NH2+][C@@H](C)c2cccs2)c1[O-]	ZINC000020148286	171036283	/nfs/dbraw/zinc/03/62/83/171036283.db2.gz	TUKPAIXIHRPOAY-NSHDSACASA-N	0	3	277.389	3.703	10	10		CHCEHN
COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c([O-])c1	ZINC000020148650	171036522	/nfs/dbraw/zinc/03/65/22/171036522.db2.gz	PJXQQLIFYITJEG-GHMZBOCLSA-N	0	3	277.389	3.874	10	10		CHCEHN
COCCN[C@@H](C)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020550999	171247101	/nfs/dbraw/zinc/24/71/01/171247101.db2.gz	MQNPUJCIYYSOEK-AWEZNQCLSA-N	0	3	294.414	3.503	10	10		CHCEHN
Cc1ccc(O)c(CN[C@@H](C)c2ccccc2F)c1	ZINC000071408050	176156949	/nfs/dbraw/zinc/15/69/49/176156949.db2.gz	FWXUIAGXLNXTGS-LBPRGKRZSA-N	0	3	259.324	3.691	10	10		CHCEHN
Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1	ZINC000248529228	329891300	/nfs/dbraw/zinc/89/13/00/329891300.db2.gz	WPSOVWOOILQZBT-USXIJHARSA-N	0	3	299.418	3.732	10	10		CHCEHN
CC[C@H]([NH2+][C@H](C)[C@H]1COc2ccccc21)c1ccccc1[O-]	ZINC000248584580	329895100	/nfs/dbraw/zinc/89/51/00/329895100.db2.gz	XEJFTSADRBKDSW-XYPHTWIQSA-N	0	3	297.398	3.998	10	10		CHCEHN
CNCc1cc(F)c(N(C)[C@H](C)CC(C)C)c(F)c1	ZINC000062713396	522112536	/nfs/dbraw/zinc/11/25/36/522112536.db2.gz	LZOASKYIOPILIU-LLVKDONJSA-N	0	3	270.367	3.555	10	10		CHCEHN
C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cc(O)ccc1[O-]	ZINC000052332665	525524568	/nfs/dbraw/zinc/52/45/68/525524568.db2.gz	VSKPJNYHMVZOGF-RYUDHWBXSA-N	0	3	263.381	3.717	10	10		CHCEHN