smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](c2ccccc2)O1	ZINC000245578874	376861130	/nfs/dbraw/zinc/86/11/30/376861130.db2.gz	ALKRNGKTANWAHN-KDOFPFPSSA-N	1	1	283.371	3.354	10	10		CGCEMO
Cc1ccc(C[N@@H+](C)CCc2ccc(N)cc2)cc1	ZINC000020264692	171122150	/nfs/dbraw/zinc/12/21/50/171122150.db2.gz	VKDOAYSZTMGZGN-UHFFFAOYSA-N	1	1	254.377	3.252	10	10		CGCEMO
Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1O	ZINC000179949934	329213722	/nfs/dbraw/zinc/21/37/22/329213722.db2.gz	IUVVDDCEMQSLBT-QGZVFWFLSA-N	1	1	282.387	3.387	10	10		CGCEMO
Cc1ccc(OCc2ccc(Br)s2)c(N)[nH+]1	ZINC000050440931	525442642	/nfs/dbraw/zinc/44/26/42/525442642.db2.gz	KRRCCSVVKKWFSR-UHFFFAOYSA-N	1	1	299.193	3.375	10	10		CGCEMO
CCC[C@@H]([NH3+])c1cc(C)cc(Br)c1O	ZINC000757133312	617759543	/nfs/dbraw/zinc/75/95/43/617759543.db2.gz	PMYJYJFBZGVSOL-SNVBAGLBSA-N	1	1	258.159	3.263	10	10		CGCEMO
CCC[C@@H]([NH3+])c1cc(Br)cc(F)c1O	ZINC000095781085	619287478	/nfs/dbraw/zinc/28/74/78/619287478.db2.gz	XSMDOEAGOIVPCJ-SECBINFHSA-N	1	1	262.122	3.094	10	10		CGCEMO
C[C@@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1	ZINC000171606487	623178924	/nfs/dbraw/zinc/17/89/24/623178924.db2.gz	LZNIHTCULZKWKX-LLVKDONJSA-N	1	1	295.448	3.333	10	10		CGCEMO
[NH3+][C@H](c1ccccc1)c1cc(Cl)c(F)cc1O	ZINC000757132316	630586412	/nfs/dbraw/zinc/58/64/12/630586412.db2.gz	FDAFOBFIRCNBOB-CYBMUJFWSA-N	1	1	251.688	3.233	10	10		CGCEMO
Cc1cc(O)c(CN2CC[N@H+]3CCC[C@H]3C2)cc1C(C)C	ZINC000247213423	640713424	/nfs/dbraw/zinc/71/34/24/640713424.db2.gz	XAZUHGSBUWZPNE-INIZCTEOSA-N	1	1	288.435	3.104	10	10		CGCEMO
CSc1cccc(C[N@@H+](C)Cc2ccc(O)c(O)c2)c1	ZINC000067695716	369726320	/nfs/dbraw/zinc/72/63/20/369726320.db2.gz	WZDUBWGSYPPUGR-UHFFFAOYSA-N	1	1	289.400	3.452	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1	ZINC000092758221	370099833	/nfs/dbraw/zinc/09/98/33/370099833.db2.gz	AJMISSUMDFZOJX-QGZVFWFLSA-N	1	1	282.387	3.387	10	10		CGCEMO
Cc1cc(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1C	ZINC000171361455	372743219	/nfs/dbraw/zinc/74/32/19/372743219.db2.gz	VMGPKGCIXKEMDF-INIZCTEOSA-N	1	1	285.391	3.080	10	10		CGCEMO
C[C@H](CCc1ccco1)[NH2+]Cc1cccc(F)c1O	ZINC000158679023	392573503	/nfs/dbraw/zinc/57/35/03/392573503.db2.gz	CQHUOBPLXZUGHS-LLVKDONJSA-N	1	1	263.312	3.235	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCCOC(C)(C)C1	ZINC000312064337	262347398	/nfs/dbraw/zinc/34/73/98/262347398.db2.gz	DWJNUGCZCOGYQD-CQSZACIVSA-N	1	1	263.381	3.344	10	10		CGCEMO
Cc1ccc(OCc2cc(Br)cs2)c(N)[nH+]1	ZINC000050441059	525443167	/nfs/dbraw/zinc/44/31/67/525443167.db2.gz	YXUICEHWGXMNLW-UHFFFAOYSA-N	1	1	299.193	3.375	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1cccc2cccnc21	ZINC000165049474	622855333	/nfs/dbraw/zinc/85/53/33/622855333.db2.gz	OOWJBKXWWNBVPP-UHFFFAOYSA-N	1	1	282.318	3.369	10	10		CGCEMO
C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(Cl)ccc1O	ZINC000211722789	636176069	/nfs/dbraw/zinc/17/60/69/636176069.db2.gz	NJOSWIMXSOIGLE-SWLSCSKDSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000211722789	636176072	/nfs/dbraw/zinc/17/60/72/636176072.db2.gz	NJOSWIMXSOIGLE-SWLSCSKDSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cc(Cl)ccc1O	ZINC000211722789	636176074	/nfs/dbraw/zinc/17/60/74/636176074.db2.gz	NJOSWIMXSOIGLE-SWLSCSKDSA-N	1	1	294.826	3.104	10	10		CGCEMO
CCSCC[C@H](C)[NH2+]Cc1cccc(F)c1O	ZINC000166136756	372563476	/nfs/dbraw/zinc/56/34/76/372563476.db2.gz	KSDHIENDEOBJIQ-JTQLQIEISA-N	1	1	257.374	3.153	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+][C@H]1CCCc2occc21	ZINC000158682202	392574570	/nfs/dbraw/zinc/57/45/70/392574570.db2.gz	UAJVIICPFJVKBL-ZDUSSCGKSA-N	1	1	261.296	3.292	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1	ZINC000164141161	622817355	/nfs/dbraw/zinc/81/73/55/622817355.db2.gz	PSQPTJVYUZQVJY-JKSUJKDBSA-N	1	1	275.392	3.152	10	10		CGCEMO
CS[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1	ZINC000226609004	376366186	/nfs/dbraw/zinc/36/61/86/376366186.db2.gz	XCTYXIXYDAZAHK-RYUDHWBXSA-N	1	1	269.385	3.295	10	10		CGCEMO
C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O	ZINC000281623281	263070868	/nfs/dbraw/zinc/07/08/68/263070868.db2.gz	NVDUALKSMIENBF-UTUOFQBUSA-N	1	1	281.371	3.386	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1	ZINC000179566677	329209881	/nfs/dbraw/zinc/20/98/81/329209881.db2.gz	ZLPYPNNZEGDKNY-INIZCTEOSA-N	1	1	268.360	3.079	10	10		CGCEMO
C[N@@H+](CCCOc1ccc(N)cc1)C1CCCCC1	ZINC000036985733	172851722	/nfs/dbraw/zinc/85/17/22/172851722.db2.gz	HXEBGGNFOQNRTD-UHFFFAOYSA-N	1	1	262.397	3.302	10	10		CGCEMO
C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1O	ZINC000248786409	329899289	/nfs/dbraw/zinc/89/92/89/329899289.db2.gz	IITNXTGYAYSKEY-YNZJMPHRSA-N	1	1	279.355	3.140	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCCN2CCC[C@H]2C1	ZINC000251301353	334359490	/nfs/dbraw/zinc/35/94/90/334359490.db2.gz	TWOPCOLIONUUOK-HOCLYGCPSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@@H](c1ccccc1O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000251301353	334359492	/nfs/dbraw/zinc/35/94/92/334359492.db2.gz	TWOPCOLIONUUOK-HOCLYGCPSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@@H](c1ccccc1O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000251301353	334359493	/nfs/dbraw/zinc/35/94/93/334359493.db2.gz	TWOPCOLIONUUOK-HOCLYGCPSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000181283623	618894330	/nfs/dbraw/zinc/89/43/30/618894330.db2.gz	PJCMGKYABRAHFC-VKJFTORMSA-N	1	1	289.467	3.132	10	10		CGCEMO
CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000181283623	618894332	/nfs/dbraw/zinc/89/43/32/618894332.db2.gz	PJCMGKYABRAHFC-VKJFTORMSA-N	1	1	289.467	3.132	10	10		CGCEMO
C[C@@H]1C[N@@H+](Cc2ccccc2O)[C@@H](c2ccccc2)CO1	ZINC000245617423	376869801	/nfs/dbraw/zinc/86/98/01/376869801.db2.gz	PZCFKLNHUCEBPL-RHSMWYFYSA-N	1	1	283.371	3.354	10	10		CGCEMO
CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1	ZINC000122934349	392425376	/nfs/dbraw/zinc/42/53/76/392425376.db2.gz	RFYUYOQTBUDJQB-INIZCTEOSA-N	1	1	299.418	3.297	10	10		CGCEMO
C[N@@H+](CCCc1ccc(N)cc1)Cc1ccccc1	ZINC000020192361	171058276	/nfs/dbraw/zinc/05/82/76/171058276.db2.gz	NMJLOMDJBNSYKH-UHFFFAOYSA-N	1	1	254.377	3.333	10	10		CGCEMO
CCN(CC)c1ccc([C@@H](CN)[NH+]2CCC(C)CC2)cc1	ZINC000039789124	174173284	/nfs/dbraw/zinc/17/32/84/174173284.db2.gz	ZSMUUHANHAWGDJ-GOSISDBHSA-N	1	1	289.467	3.265	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCOCC12CCCC2	ZINC000377542342	288167491	/nfs/dbraw/zinc/16/74/91/288167491.db2.gz	NYEHSNXOSWOVOV-OAHLLOKOSA-N	1	1	275.392	3.488	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1C[C@H]2CCCN2C[C@H]1C	ZINC000251236995	334358583	/nfs/dbraw/zinc/35/85/83/334358583.db2.gz	LJQQYYIKUGDVOA-IIAWOOMASA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000251236995	334358585	/nfs/dbraw/zinc/35/85/85/334358585.db2.gz	LJQQYYIKUGDVOA-IIAWOOMASA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@H]2CCC[N@H+]2C[C@H]1C	ZINC000251236995	334358586	/nfs/dbraw/zinc/35/85/86/334358586.db2.gz	LJQQYYIKUGDVOA-IIAWOOMASA-N	1	1	274.408	3.012	10	10		CGCEMO
CN(C)c1ccc(C=Cc2[nH]c3ccc(N)cc3[nH+]2)cc1	ZINC000050860610	618157073	/nfs/dbraw/zinc/15/70/73/618157073.db2.gz	MYJLCHDXKWUPJO-YHYXMXQVSA-N	1	1	278.359	3.382	10	10		CGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)c1	ZINC000123081484	370910258	/nfs/dbraw/zinc/91/02/58/370910258.db2.gz	ZKFQXLTUBUDLRV-MRXNPFEDSA-N	1	1	285.391	3.043	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1O	ZINC000248786402	377400532	/nfs/dbraw/zinc/40/05/32/377400532.db2.gz	IITNXTGYAYSKEY-OWRWGESLSA-N	1	1	279.355	3.140	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1C[C@@H]2CCCN2C[C@@H]1C	ZINC000211594217	260026775	/nfs/dbraw/zinc/02/67/75/260026775.db2.gz	LJQQYYIKUGDVOA-OFQRWUPVSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000211594217	260026777	/nfs/dbraw/zinc/02/67/77/260026777.db2.gz	LJQQYYIKUGDVOA-OFQRWUPVSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C	ZINC000211594217	260026778	/nfs/dbraw/zinc/02/67/78/260026778.db2.gz	LJQQYYIKUGDVOA-OFQRWUPVSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC(C)[C@@H](C)[N@@H+](C)CCCOc1ccc(N)cc1	ZINC000036786431	172704298	/nfs/dbraw/zinc/70/42/98/172704298.db2.gz	HWYQIVGGPHLXHK-CYBMUJFWSA-N	1	1	250.386	3.014	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1	ZINC000180025332	329214647	/nfs/dbraw/zinc/21/46/47/329214647.db2.gz	LPCLGMKWLOGCKO-MRXNPFEDSA-N	1	1	286.350	3.218	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+][C@H]1CCc2ccccc21	ZINC000158676359	640014779	/nfs/dbraw/zinc/01/47/79/640014779.db2.gz	GEVTYEPZWZYYGZ-HNNXBMFYSA-N	1	1	257.308	3.308	10	10		CGCEMO
C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)[C@H](C)C1	ZINC000158772365	640017180	/nfs/dbraw/zinc/01/71/80/640017180.db2.gz	ASXFIJCZIWMPRT-JTNHKYCSSA-N	1	1	251.345	3.446	10	10		CGCEMO
C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@H]1c1ccccc1O	ZINC000090649471	180018012	/nfs/dbraw/zinc/01/80/12/180018012.db2.gz	FUZFCKGETMLHIO-HNJNHCNJSA-N	1	1	281.355	3.373	10	10		CGCEMO
CC[C@@H](C)C[N@@H+](C)CCCOc1ccc(N)cc1	ZINC000037172192	173005106	/nfs/dbraw/zinc/00/51/06/173005106.db2.gz	DXUAYVUBXFRCTP-CYBMUJFWSA-N	1	1	250.386	3.016	10	10		CGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)c1	ZINC000164387749	622829497	/nfs/dbraw/zinc/82/94/97/622829497.db2.gz	VFHMXESYRJTYEO-QGZVFWFLSA-N	1	1	299.418	3.351	10	10		CGCEMO
C[C@H](C[N@H+]1CCc2cccc(O)c2C1)OCc1ccccc1	ZINC000090769597	180037642	/nfs/dbraw/zinc/03/76/42/180037642.db2.gz	IFIQZMQQYONDMM-OAHLLOKOSA-N	1	1	297.398	3.356	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1	ZINC000093438160	370129537	/nfs/dbraw/zinc/12/95/37/370129537.db2.gz	UGKLPHSGERLBOU-AWEZNQCLSA-N	1	1	291.782	3.496	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@]12CCOC2	ZINC000311771957	374255911	/nfs/dbraw/zinc/25/59/11/374255911.db2.gz	GPGPFIZROVECDB-ZBFHGGJFSA-N	1	1	261.365	3.098	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCOCC12CCCC2	ZINC000377542341	392885319	/nfs/dbraw/zinc/88/53/19/392885319.db2.gz	NYEHSNXOSWOVOV-HNNXBMFYSA-N	1	1	275.392	3.488	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCN2CCCC[C@H]2C1	ZINC000251254879	334358929	/nfs/dbraw/zinc/35/89/29/334358929.db2.gz	NBTXOIXRJACKQG-GOEBONIOSA-N	1	1	274.408	3.013	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1cc(F)ccc1F	ZINC000083494240	618009208	/nfs/dbraw/zinc/00/92/08/618009208.db2.gz	FSKUHKCAZWDEIJ-UHFFFAOYSA-N	1	1	267.250	3.099	10	10		CGCEMO
CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C)c(C)cc1O	ZINC000248405666	619379869	/nfs/dbraw/zinc/37/98/69/619379869.db2.gz	BBKFFZGIBMPQSY-IRXDYDNUSA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cc(C)c(C)cc1O	ZINC000248405666	619379873	/nfs/dbraw/zinc/37/98/73/619379873.db2.gz	BBKFFZGIBMPQSY-IRXDYDNUSA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@H]1CN2CCC[C@H]2C[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000248405666	619379877	/nfs/dbraw/zinc/37/98/77/619379877.db2.gz	BBKFFZGIBMPQSY-IRXDYDNUSA-N	1	1	288.435	3.068	10	10		CGCEMO
CCN(CC)c1ccc([C@@H](CN)[NH+]2CCCCC2)cc1	ZINC000039789121	174173020	/nfs/dbraw/zinc/17/30/20/174173020.db2.gz	FENAADOOQJYEAW-QGZVFWFLSA-N	1	1	275.440	3.019	10	10		CGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)c1	ZINC000152909155	261071309	/nfs/dbraw/zinc/07/13/09/261071309.db2.gz	LFVXOBROPHNUQY-KRWDZBQOSA-N	1	1	299.418	3.351	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCC[C@@H](OC)CC1	ZINC000368030804	327203164	/nfs/dbraw/zinc/20/31/64/327203164.db2.gz	PPAPNTBAZIJCEW-UKRRQHHQSA-N	1	1	263.381	3.344	10	10		CGCEMO
Cc1csc([C@@H](C)[NH2+]Cc2cccc(F)c2O)n1	ZINC000158779254	618734643	/nfs/dbraw/zinc/73/46/43/618734643.db2.gz	ZQPLISNROQLUDZ-SECBINFHSA-N	1	1	266.341	3.147	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1	ZINC000092758219	370100585	/nfs/dbraw/zinc/10/05/85/370100585.db2.gz	AJMISSUMDFZOJX-KRWDZBQOSA-N	1	1	282.387	3.387	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1	ZINC000093438159	370129740	/nfs/dbraw/zinc/12/97/40/370129740.db2.gz	UGKLPHSGERLBOU-CQSZACIVSA-N	1	1	291.782	3.496	10	10		CGCEMO
CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1	ZINC000226608987	376366680	/nfs/dbraw/zinc/36/66/80/376366680.db2.gz	XCTYXIXYDAZAHK-VXGBXAGGSA-N	1	1	269.385	3.295	10	10		CGCEMO
C[C@@H](c1ccccc1O)[N@H+]1CCc2c(N)cccc2C1	ZINC000038032526	274278200	/nfs/dbraw/zinc/27/82/00/274278200.db2.gz	FPVPXKMQRVJEFT-LBPRGKRZSA-N	1	1	268.360	3.094	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1O	ZINC000179572661	329209763	/nfs/dbraw/zinc/20/97/63/329209763.db2.gz	DUEHNJKHUANLLR-OAHLLOKOSA-N	1	1	285.391	3.080	10	10		CGCEMO
CN(C)c1ccc([C@H](CN)[N@@H+](C)CC2CCCCC2)cc1	ZINC000020226123	171089390	/nfs/dbraw/zinc/08/93/90/171089390.db2.gz	WMVXBALOIUNJCZ-SFHVURJKSA-N	1	1	289.467	3.265	10	10		CGCEMO
CN(C)c1ccc([C@H](C[NH3+])N(C)CC2CCCCC2)cc1	ZINC000020226123	171089391	/nfs/dbraw/zinc/08/93/91/171089391.db2.gz	WMVXBALOIUNJCZ-SFHVURJKSA-N	1	1	289.467	3.265	10	10		CGCEMO
C[C@H]1CCC[C@](C[NH2+]Cc2cccc(F)c2O)(N(C)C)C1	ZINC000165033556	622854008	/nfs/dbraw/zinc/85/40/08/622854008.db2.gz	YUPZJIPRTHOEPL-GUYCJALGSA-N	1	1	294.414	3.131	10	10		CGCEMO
C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCS1	ZINC000171606472	623179509	/nfs/dbraw/zinc/17/95/09/623179509.db2.gz	VBGHANUHDUZXCG-LBPRGKRZSA-N	1	1	273.401	3.483	10	10		CGCEMO
COc1cccc(C[N@H+]2CCC[C@H]2c2ccco2)c1O	ZINC000093335281	370118677	/nfs/dbraw/zinc/11/86/77/370118677.db2.gz	IPQLTKLTSRNHRY-ZDUSSCGKSA-N	1	1	273.332	3.331	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21	ZINC000245578979	376859867	/nfs/dbraw/zinc/85/98/67/376859867.db2.gz	ANSRTAGCJGKQFQ-UKRRQHHQSA-N	1	1	263.406	3.252	10	10		CGCEMO
CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1	ZINC000093437870	392237017	/nfs/dbraw/zinc/23/70/17/392237017.db2.gz	BVLJGQFKNMPIOG-QGZVFWFLSA-N	1	1	284.407	3.203	10	10		CGCEMO
Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)o1	ZINC000180643093	329221602	/nfs/dbraw/zinc/22/16/02/329221602.db2.gz	IVSZNNAGBXXHSV-INIZCTEOSA-N	1	1	287.359	3.176	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000217824128	333124131	/nfs/dbraw/zinc/12/41/31/333124131.db2.gz	BXAMRXCSZDJDHQ-HLLBOEOZSA-N	1	1	275.392	3.487	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H]2CCCC[C@H]21	ZINC000228155884	333295987	/nfs/dbraw/zinc/29/59/87/333295987.db2.gz	BXAMRXCSZDJDHQ-BFYDXBDKSA-N	1	1	275.392	3.487	10	10		CGCEMO
CN(CCC[NH2+]Cc1cccc(F)c1O)c1ccccc1	ZINC000164925998	622850569	/nfs/dbraw/zinc/85/05/69/622850569.db2.gz	LOUVLPUOYHHVGF-UHFFFAOYSA-N	1	1	288.366	3.147	10	10		CGCEMO
C[N@@H+](CCC[NH2+]Cc1cccc(F)c1[O-])C1CCCCC1	ZINC000165029832	622853961	/nfs/dbraw/zinc/85/39/61/622853961.db2.gz	UFKUILPRRUGLLF-UHFFFAOYSA-N	1	1	294.414	3.276	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1C	ZINC000251077019	640820835	/nfs/dbraw/zinc/82/08/35/640820835.db2.gz	PYHIMYFEIINFQW-WBVHZDCISA-N	1	1	275.392	3.152	10	10		CGCEMO
CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1	ZINC000272446318	263004479	/nfs/dbraw/zinc/00/44/79/263004479.db2.gz	PCSRGWMKXMLEAW-GXTWGEPZSA-N	1	1	281.371	3.215	10	10		CGCEMO
CCOCc1ccccc1C[NH2+]Cc1cccc(F)c1O	ZINC000165020009	331305722	/nfs/dbraw/zinc/30/57/22/331305722.db2.gz	CBBLHOJPRUZVKP-UHFFFAOYSA-N	1	1	289.350	3.358	10	10		CGCEMO
C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)[C@H]1C	ZINC000252766981	617626035	/nfs/dbraw/zinc/62/60/35/617626035.db2.gz	HSTVMYITGKYENE-UHIISALHSA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1ccc(C[N@@H+](C)CCOc2ccc(N)cc2)cc1	ZINC000036671483	344944810	/nfs/dbraw/zinc/94/48/10/344944810.db2.gz	WJCLGSVTSWGWKG-UHFFFAOYSA-N	1	1	270.376	3.088	10	10		CGCEMO
C[C@@H]1C(=O)C[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1O	ZINC000090649474	180018037	/nfs/dbraw/zinc/01/80/37/180018037.db2.gz	FUZFCKGETMLHIO-MRAWALMUSA-N	1	1	281.355	3.373	10	10		CGCEMO
CC[NH+](CC)c1ccc(Nc2ccc(N)cn2)cc1	ZINC000006869862	170251383	/nfs/dbraw/zinc/25/13/83/170251383.db2.gz	SIIUYTTXHSTRGP-UHFFFAOYSA-N	1	1	256.353	3.254	10	10		CGCEMO
C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](CN)c1ccc(N(C)C)cc1	ZINC000039789101	174173701	/nfs/dbraw/zinc/17/37/01/174173701.db2.gz	DMQOLRCIEMXWGH-VBQJREDUSA-N	1	1	275.440	3.015	10	10		CGCEMO
C[C@@H]1CCC[C@H](C)N1[C@@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000039789101	174173703	/nfs/dbraw/zinc/17/37/03/174173703.db2.gz	DMQOLRCIEMXWGH-VBQJREDUSA-N	1	1	275.440	3.015	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccc(F)c(F)c1	ZINC000083494236	618009470	/nfs/dbraw/zinc/00/94/70/618009470.db2.gz	NRRAKPOPDWWOPV-UHFFFAOYSA-N	1	1	267.250	3.099	10	10		CGCEMO
CCC[C@H]([NH3+])c1cc(Br)cc(F)c1O	ZINC000095769849	619287724	/nfs/dbraw/zinc/28/77/24/619287724.db2.gz	XSMDOEAGOIVPCJ-VIFPVBQESA-N	1	1	262.122	3.094	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21	ZINC000228155553	623044388	/nfs/dbraw/zinc/04/43/88/623044388.db2.gz	AXSDCJXBSSWJQI-UKRRQHHQSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21	ZINC000228155553	623044399	/nfs/dbraw/zinc/04/43/99/623044399.db2.gz	AXSDCJXBSSWJQI-UKRRQHHQSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1	ZINC000245598870	376864033	/nfs/dbraw/zinc/86/40/33/376864033.db2.gz	JMVBIJNOGTVQCN-GOEBONIOSA-N	1	1	287.359	3.073	10	10		CGCEMO
C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	ZINC000246460503	377035119	/nfs/dbraw/zinc/03/51/19/377035119.db2.gz	OCJJORYFYOMFEH-CRAIPNDOSA-N	1	1	298.434	3.032	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1	ZINC000093438391	392236938	/nfs/dbraw/zinc/23/69/38/392236938.db2.gz	AJQNCDFKIOQQGZ-HNNXBMFYSA-N	1	1	271.364	3.151	10	10		CGCEMO
CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C)c(C)cc1O	ZINC000182076923	619031986	/nfs/dbraw/zinc/03/19/86/619031986.db2.gz	BBKFFZGIBMPQSY-IAGOWNOFSA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cc(C)c(C)cc1O	ZINC000182076923	619031989	/nfs/dbraw/zinc/03/19/89/619031989.db2.gz	BBKFFZGIBMPQSY-IAGOWNOFSA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000182076923	619031993	/nfs/dbraw/zinc/03/19/93/619031993.db2.gz	BBKFFZGIBMPQSY-IAGOWNOFSA-N	1	1	288.435	3.068	10	10		CGCEMO
C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2O)C1	ZINC000226586185	622986692	/nfs/dbraw/zinc/98/66/92/622986692.db2.gz	YEYVWFVTMVSNAG-NWDGAFQWSA-N	1	1	251.345	3.447	10	10		CGCEMO
C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2O)C1	ZINC000226586188	622987023	/nfs/dbraw/zinc/98/70/23/622987023.db2.gz	YEYVWFVTMVSNAG-NEPJUHHUSA-N	1	1	251.345	3.447	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000133465472	636900673	/nfs/dbraw/zinc/90/06/73/636900673.db2.gz	AXSDCJXBSSWJQI-DZGCQCFKSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000133465472	636900676	/nfs/dbraw/zinc/90/06/76/636900676.db2.gz	AXSDCJXBSSWJQI-DZGCQCFKSA-N	1	1	281.783	3.189	10	10		CGCEMO
Nc1ccc(OCCC[N@H+]2CCc3ccccc3C2)cc1	ZINC000019731927	344890736	/nfs/dbraw/zinc/89/07/36/344890736.db2.gz	WUBFIKFGNRUXQI-UHFFFAOYSA-N	1	1	282.387	3.096	10	10		CGCEMO
Cn1cc([C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cn1	ZINC000131875100	371135875	/nfs/dbraw/zinc/13/58/75/371135875.db2.gz	PEKDUMGJFNOGMT-CQSZACIVSA-N	1	1	291.782	3.116	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H]2CCC[C@H]21	ZINC000228143953	333295765	/nfs/dbraw/zinc/29/57/65/333295765.db2.gz	CTFDEKMHKQMAGD-IIAWOOMASA-N	1	1	261.365	3.097	10	10		CGCEMO
CC[C@H]([NH2+]Cc1cccc(F)c1O)c1nccs1	ZINC000158778628	618734736	/nfs/dbraw/zinc/73/47/36/618734736.db2.gz	BUJDHXLGHAWBBL-NSHDSACASA-N	1	1	266.341	3.229	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCc1cc(F)cc(F)c1	ZINC000165038931	622854056	/nfs/dbraw/zinc/85/40/56/622854056.db2.gz	SDXGCQBJROSUJY-UHFFFAOYSA-N	1	1	281.277	3.142	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21	ZINC000228155565	623044584	/nfs/dbraw/zinc/04/45/84/623044584.db2.gz	AXSDCJXBSSWJQI-HIFRSBDPSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21	ZINC000228155565	623044592	/nfs/dbraw/zinc/04/45/92/623044592.db2.gz	AXSDCJXBSSWJQI-HIFRSBDPSA-N	1	1	281.783	3.189	10	10		CGCEMO
C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CCS1	ZINC000171606467	623178517	/nfs/dbraw/zinc/17/85/17/623178517.db2.gz	VBGHANUHDUZXCG-GFCCVEGCSA-N	1	1	273.401	3.483	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1	ZINC000246017026	376953342	/nfs/dbraw/zinc/95/33/42/376953342.db2.gz	ZRTSSQOKSFZBOJ-ZBFHGGJFSA-N	1	1	293.432	3.261	10	10		CGCEMO
CN(C)c1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1	ZINC000093437871	392238113	/nfs/dbraw/zinc/23/81/13/392238113.db2.gz	BVLJGQFKNMPIOG-KRWDZBQOSA-N	1	1	284.407	3.203	10	10		CGCEMO
CCc1ccc(C[NH2+]Cc2cccc(F)c2O)s1	ZINC000226584745	262379584	/nfs/dbraw/zinc/37/95/84/262379584.db2.gz	LGVZQWGAARDYSU-UHFFFAOYSA-N	1	1	265.353	3.445	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](OC)CC1	ZINC000368030805	327203143	/nfs/dbraw/zinc/20/31/43/327203143.db2.gz	PPAPNTBAZIJCEW-ZFWWWQNUSA-N	1	1	263.381	3.344	10	10		CGCEMO
C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1O	ZINC000165015242	331305608	/nfs/dbraw/zinc/30/56/08/331305608.db2.gz	OUHIMRAYMIPMOJ-LBPRGKRZSA-N	1	1	289.350	3.348	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccc(OC(F)F)cc1	ZINC000164938768	622851643	/nfs/dbraw/zinc/85/16/43/622851643.db2.gz	ZBRCHDURJYUIKI-UHFFFAOYSA-N	1	1	297.276	3.423	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000133465257	636900074	/nfs/dbraw/zinc/90/00/74/636900074.db2.gz	AXSDCJXBSSWJQI-ZFWWWQNUSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000133465257	636900079	/nfs/dbraw/zinc/90/00/79/636900079.db2.gz	AXSDCJXBSSWJQI-ZFWWWQNUSA-N	1	1	281.783	3.189	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H]2CCC[C@@H]21	ZINC000132765931	392461770	/nfs/dbraw/zinc/46/17/70/392461770.db2.gz	CTFDEKMHKQMAGD-YCPHGPKFSA-N	1	1	261.365	3.097	10	10		CGCEMO
CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1O	ZINC000062747617	623267294	/nfs/dbraw/zinc/26/72/94/623267294.db2.gz	DLEHUSPVYLQDQP-TZMCWYRMSA-N	1	1	282.403	3.158	10	10		CGCEMO
C[NH+](C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1	ZINC000097395313	370240875	/nfs/dbraw/zinc/24/08/75/370240875.db2.gz	GGLDBUFIORAZRG-SFHVURJKSA-N	1	1	296.414	3.014	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCC2(C1)CCOCC2	ZINC000370213800	378994312	/nfs/dbraw/zinc/99/43/12/378994312.db2.gz	XMBNMHUQNCUGKI-OAHLLOKOSA-N	1	1	275.392	3.346	10	10		CGCEMO
CC(C)[N@@H+](Cc1ccncc1)Cc1ccc(N)cc1	ZINC000035365392	172155399	/nfs/dbraw/zinc/15/53/99/172155399.db2.gz	WUCROVRZRCFMRK-UHFFFAOYSA-N	1	1	255.365	3.074	10	10		CGCEMO
C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O	ZINC000281623286	263070896	/nfs/dbraw/zinc/07/08/96/263070896.db2.gz	NVDUALKSMIENBF-YVECIDJPSA-N	1	1	281.371	3.386	10	10		CGCEMO
CC[C@](C)(O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1	ZINC000160429755	618042600	/nfs/dbraw/zinc/04/26/00/618042600.db2.gz	SVZBYPKTBOGDIB-SFHVURJKSA-N	1	1	290.451	3.270	10	10		CGCEMO
C[C@H]1CCC[C@@](C[NH2+]Cc2cccc(F)c2O)(N(C)C)C1	ZINC000165033300	622854527	/nfs/dbraw/zinc/85/45/27/622854527.db2.gz	YUPZJIPRTHOEPL-SUMWQHHRSA-N	1	1	294.414	3.131	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccc(Cl)cc1	ZINC000083482898	625603685	/nfs/dbraw/zinc/60/36/85/625603685.db2.gz	GYEHOVSQTNVHJL-UHFFFAOYSA-N	1	1	265.715	3.475	10	10		CGCEMO
Cc1cccc(N)c1N[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000306731375	346457383	/nfs/dbraw/zinc/45/73/83/346457383.db2.gz	QRHMVGTZVBVTNW-INIZCTEOSA-N	1	1	281.403	3.264	10	10		CGCEMO
Cc1ccc([C@@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)o1	ZINC000093865027	370165520	/nfs/dbraw/zinc/16/55/20/370165520.db2.gz	KOPCYZDZADZOKJ-KRWDZBQOSA-N	1	1	287.359	3.176	10	10		CGCEMO
Cn1cc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1	ZINC000180052938	373959652	/nfs/dbraw/zinc/95/96/52/373959652.db2.gz	KEDKUUPWAWNHKZ-CQSZACIVSA-N	1	1	291.782	3.116	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1	ZINC000093438390	392237936	/nfs/dbraw/zinc/23/79/36/392237936.db2.gz	AJQNCDFKIOQQGZ-OAHLLOKOSA-N	1	1	271.364	3.151	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCCN2CCC[C@H]2C1	ZINC000251301350	334359516	/nfs/dbraw/zinc/35/95/16/334359516.db2.gz	TWOPCOLIONUUOK-GOEBONIOSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000251301350	334359518	/nfs/dbraw/zinc/35/95/18/334359518.db2.gz	TWOPCOLIONUUOK-GOEBONIOSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1CCC[N@H+]2CCC[C@H]2C1	ZINC000251301350	334359519	/nfs/dbraw/zinc/35/95/19/334359519.db2.gz	TWOPCOLIONUUOK-GOEBONIOSA-N	1	1	274.408	3.013	10	10		CGCEMO
Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458334	622835886	/nfs/dbraw/zinc/83/58/86/622835886.db2.gz	IXVDHMZFBUOCIC-KRWDZBQOSA-N	1	1	299.418	3.179	10	10		CGCEMO
C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(O)ccc2ccccc21	ZINC000247091797	640710213	/nfs/dbraw/zinc/71/02/13/640710213.db2.gz	NXFVVULWYJYJJI-ZBFHGGJFSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000247091797	640710217	/nfs/dbraw/zinc/71/02/17/640710217.db2.gz	NXFVVULWYJYJJI-ZBFHGGJFSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000247091797	640710222	/nfs/dbraw/zinc/71/02/22/640710222.db2.gz	NXFVVULWYJYJJI-ZBFHGGJFSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(Cl)ccc1O	ZINC000251790180	640833927	/nfs/dbraw/zinc/83/39/27/640833927.db2.gz	NJOSWIMXSOIGLE-WFASDCNBSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000251790180	640833929	/nfs/dbraw/zinc/83/39/29/640833929.db2.gz	NJOSWIMXSOIGLE-WFASDCNBSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1O	ZINC000251790180	640833931	/nfs/dbraw/zinc/83/39/31/640833931.db2.gz	NJOSWIMXSOIGLE-WFASDCNBSA-N	1	1	294.826	3.104	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccc(F)cc1F	ZINC000083494244	618009306	/nfs/dbraw/zinc/00/93/06/618009306.db2.gz	MOECYSPYRPZSAW-UHFFFAOYSA-N	1	1	267.250	3.099	10	10		CGCEMO
C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc(Cl)c1[O-]	ZINC000252728656	618138343	/nfs/dbraw/zinc/13/83/43/618138343.db2.gz	CEQZZINUZGWXKQ-JSGCOSHPSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(Cl)c1[O-]	ZINC000252728656	618138351	/nfs/dbraw/zinc/13/83/51/618138351.db2.gz	CEQZZINUZGWXKQ-JSGCOSHPSA-N	1	1	294.826	3.104	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1	ZINC000164450565	622834813	/nfs/dbraw/zinc/83/48/13/622834813.db2.gz	JEXDOUHQOWRSAO-ZDUSSCGKSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)c1	ZINC000164450565	622834815	/nfs/dbraw/zinc/83/48/15/622834815.db2.gz	JEXDOUHQOWRSAO-ZDUSSCGKSA-N	1	1	293.407	3.171	10	10		CGCEMO
CC(C)C[C@H]([NH3+])c1cccc(Br)c1O	ZINC000306821542	346457821	/nfs/dbraw/zinc/45/78/21/346457821.db2.gz	OVPYRFJLVVWVEG-JTQLQIEISA-N	1	1	258.159	3.201	10	10		CGCEMO
COc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1O	ZINC000092758110	370099806	/nfs/dbraw/zinc/09/98/06/370099806.db2.gz	ZIPMHEDTSBPZQE-MRXNPFEDSA-N	1	1	298.386	3.087	10	10		CGCEMO
C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O	ZINC000281623256	263070813	/nfs/dbraw/zinc/07/08/13/263070813.db2.gz	NVDUALKSMIENBF-IJLUTSLNSA-N	1	1	281.371	3.386	10	10		CGCEMO
CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747615	623266209	/nfs/dbraw/zinc/26/62/09/623266209.db2.gz	DLEHUSPVYLQDQP-GXTWGEPZSA-N	1	1	282.403	3.158	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCC[C@]12CCOC2	ZINC000311771936	374254975	/nfs/dbraw/zinc/25/49/75/374254975.db2.gz	GPGPFIZROVECDB-GDBMZVCRSA-N	1	1	261.365	3.098	10	10		CGCEMO
CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1	ZINC000122934183	392425003	/nfs/dbraw/zinc/42/50/03/392425003.db2.gz	RFYUYOQTBUDJQB-MRXNPFEDSA-N	1	1	299.418	3.297	10	10		CGCEMO
CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C)c(C)cc1O	ZINC000248405670	619379986	/nfs/dbraw/zinc/37/99/86/619379986.db2.gz	BBKFFZGIBMPQSY-SJORKVTESA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cc(C)c(C)cc1O	ZINC000248405670	619379991	/nfs/dbraw/zinc/37/99/91/619379991.db2.gz	BBKFFZGIBMPQSY-SJORKVTESA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000248405670	619379994	/nfs/dbraw/zinc/37/99/94/619379994.db2.gz	BBKFFZGIBMPQSY-SJORKVTESA-N	1	1	288.435	3.068	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1C	ZINC000124413461	370924521	/nfs/dbraw/zinc/92/45/21/370924521.db2.gz	HIIGWYCQXPQNCJ-QGZVFWFLSA-N	1	1	298.386	3.057	10	10		CGCEMO
Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1	ZINC000122965944	370908871	/nfs/dbraw/zinc/90/88/71/370908871.db2.gz	NHZNSCVGNXDBNG-GOSISDBHSA-N	1	1	298.434	3.095	10	10		CGCEMO
COc1cccc(C[N@H+]2CCC[C@@H]2c2ccco2)c1O	ZINC000093335280	370119178	/nfs/dbraw/zinc/11/91/78/370119178.db2.gz	IPQLTKLTSRNHRY-CYBMUJFWSA-N	1	1	273.332	3.331	10	10		CGCEMO
C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1	ZINC000246460519	377034658	/nfs/dbraw/zinc/03/46/58/377034658.db2.gz	OCJJORYFYOMFEH-MAUKXSAKSA-N	1	1	298.434	3.032	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1	ZINC000092812835	392233070	/nfs/dbraw/zinc/23/30/70/392233070.db2.gz	KFTVEPGTSUKSDW-OAHLLOKOSA-N	1	1	297.402	3.030	10	10		CGCEMO
C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](CN)c1ccc(N(C)C)cc1	ZINC000039789103	174173065	/nfs/dbraw/zinc/17/30/65/174173065.db2.gz	DMQOLRCIEMXWGH-JKIFEVAISA-N	1	1	275.440	3.015	10	10		CGCEMO
C[C@@H]1CCC[C@H](C)N1[C@H](C[NH3+])c1ccc(N(C)C)cc1	ZINC000039789103	174173066	/nfs/dbraw/zinc/17/30/66/174173066.db2.gz	DMQOLRCIEMXWGH-JKIFEVAISA-N	1	1	275.440	3.015	10	10		CGCEMO
CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1	ZINC000272446324	263004547	/nfs/dbraw/zinc/00/45/47/263004547.db2.gz	PCSRGWMKXMLEAW-OCCSQVGLSA-N	1	1	281.371	3.215	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O	ZINC000122803613	267935639	/nfs/dbraw/zinc/93/56/39/267935639.db2.gz	NJIBDYUYETUQIJ-INIZCTEOSA-N	1	1	299.418	3.388	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1	ZINC000179567286	329209808	/nfs/dbraw/zinc/20/98/08/329209808.db2.gz	JCLZVBXDUMCDKS-CYBMUJFWSA-N	1	1	274.389	3.228	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cc1O	ZINC000248515237	329891109	/nfs/dbraw/zinc/89/11/09/329891109.db2.gz	NZNVAKHPMVPCHW-BWPSIRRCSA-N	1	1	279.355	3.140	10	10		CGCEMO
COc1cc(Cl)cc(C[NH2+][C@H](C)c2ncc(C)o2)c1O	ZINC000231530160	623329553	/nfs/dbraw/zinc/32/95/53/623329553.db2.gz	XTBBWEHETNGPTB-SECBINFHSA-N	1	1	296.754	3.201	10	10		CGCEMO
C[C@@H]1CC([NH2+]Cc2cccc(F)c2O)C[C@@H](C)C1	ZINC000158782140	640018336	/nfs/dbraw/zinc/01/83/36/640018336.db2.gz	JFEXNRLLZMYOLB-QWRGUYRKSA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O	ZINC000122803423	370907386	/nfs/dbraw/zinc/90/73/86/370907386.db2.gz	NJIBDYUYETUQIJ-MRXNPFEDSA-N	1	1	299.418	3.388	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@]12CCOC2	ZINC000311771944	374255752	/nfs/dbraw/zinc/25/57/52/374255752.db2.gz	GPGPFIZROVECDB-GOEBONIOSA-N	1	1	261.365	3.098	10	10		CGCEMO
CC[N@@H+](CCc1ccc(N)cc1)Cc1ccccc1	ZINC000020192075	171058227	/nfs/dbraw/zinc/05/82/27/171058227.db2.gz	DWLLCSTUYFPOTM-UHFFFAOYSA-N	1	1	254.377	3.333	10	10		CGCEMO
CCN(CC)c1ccc([C@H](CN)[NH+]2CCCCC2)cc1	ZINC000039789123	174173206	/nfs/dbraw/zinc/17/32/06/174173206.db2.gz	FENAADOOQJYEAW-KRWDZBQOSA-N	1	1	275.440	3.019	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1	ZINC000180025352	329214639	/nfs/dbraw/zinc/21/46/39/329214639.db2.gz	LPCLGMKWLOGCKO-INIZCTEOSA-N	1	1	286.350	3.218	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCSc1ccccc1	ZINC000158726303	640015867	/nfs/dbraw/zinc/01/58/67/640015867.db2.gz	LCDFCCCDYDFAOK-UHFFFAOYSA-N	1	1	277.364	3.413	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1O	ZINC000248736758	377392442	/nfs/dbraw/zinc/39/24/42/377392442.db2.gz	PYKIKZBFMMPSMX-SZYCXQDTSA-N	1	1	291.366	3.140	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1	ZINC000179566667	329209921	/nfs/dbraw/zinc/20/99/21/329209921.db2.gz	ZLPYPNNZEGDKNY-MRXNPFEDSA-N	1	1	268.360	3.079	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1	ZINC000180029559	329214578	/nfs/dbraw/zinc/21/45/78/329214578.db2.gz	JWMXQDHVAMMOAC-LLVKDONJSA-N	1	1	292.379	3.367	10	10		CGCEMO
CC[C@@](C)(O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1	ZINC000160429901	618042620	/nfs/dbraw/zinc/04/26/20/618042620.db2.gz	SVZBYPKTBOGDIB-GOSISDBHSA-N	1	1	290.451	3.270	10	10		CGCEMO
C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2O)C1	ZINC000226586192	622986456	/nfs/dbraw/zinc/98/64/56/622986456.db2.gz	YEYVWFVTMVSNAG-RYUDHWBXSA-N	1	1	251.345	3.447	10	10		CGCEMO
C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(F)c1O	ZINC000158735942	640016108	/nfs/dbraw/zinc/01/61/08/640016108.db2.gz	CNWGMIQRWUVDMK-JTQLQIEISA-N	1	1	265.353	3.314	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1	ZINC000245598866	376864729	/nfs/dbraw/zinc/86/47/29/376864729.db2.gz	JMVBIJNOGTVQCN-GDBMZVCRSA-N	1	1	287.359	3.073	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000133471949	392463630	/nfs/dbraw/zinc/46/36/30/392463630.db2.gz	BXAMRXCSZDJDHQ-VYDXJSESSA-N	1	1	275.392	3.487	10	10		CGCEMO
Cc1ccc([C@H]2C[N@@H+](Cc3cccc(C)c3O)CCO2)o1	ZINC000180643112	329221630	/nfs/dbraw/zinc/22/16/30/329221630.db2.gz	IVSZNNAGBXXHSV-MRXNPFEDSA-N	1	1	287.359	3.176	10	10		CGCEMO
Cc1cnc([C@H](C)[NH2+]Cc2cccc(F)c2O)s1	ZINC000135889332	371453437	/nfs/dbraw/zinc/45/34/37/371453437.db2.gz	FFTJDGZQLJNVIB-VIFPVBQESA-N	1	1	266.341	3.147	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1C	ZINC000093438121	392238128	/nfs/dbraw/zinc/23/81/28/392238128.db2.gz	PLUXSCLLECANSF-MRXNPFEDSA-N	1	1	285.391	3.459	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1	ZINC000164141042	622817910	/nfs/dbraw/zinc/81/79/10/622817910.db2.gz	PSQPTJVYUZQVJY-HOTGVXAUSA-N	1	1	275.392	3.152	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21	ZINC000228156031	623044535	/nfs/dbraw/zinc/04/45/35/623044535.db2.gz	XFTFNSZJTRBZRQ-UKRRQHHQSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@H]21	ZINC000228156031	623044542	/nfs/dbraw/zinc/04/45/42/623044542.db2.gz	XFTFNSZJTRBZRQ-UKRRQHHQSA-N	1	1	281.783	3.189	10	10		CGCEMO
C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(O)ccc2ccccc21	ZINC000153221319	623828184	/nfs/dbraw/zinc/82/81/84/623828184.db2.gz	NXFVVULWYJYJJI-GOEBONIOSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000153221319	623828185	/nfs/dbraw/zinc/82/81/85/623828185.db2.gz	NXFVVULWYJYJJI-GOEBONIOSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@H]1CN2CCC[C@@H]2C[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000153221319	623828193	/nfs/dbraw/zinc/82/81/93/623828193.db2.gz	NXFVVULWYJYJJI-GOEBONIOSA-N	1	1	296.414	3.214	10	10		CGCEMO
Cc1cccc(N)c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000306731377	346457043	/nfs/dbraw/zinc/45/70/43/346457043.db2.gz	QRHMVGTZVBVTNW-MRXNPFEDSA-N	1	1	281.403	3.264	10	10		CGCEMO
Cc1cnc([C@@H](C)[NH2+]Cc2cccc(F)c2O)s1	ZINC000135889291	371453273	/nfs/dbraw/zinc/45/32/73/371453273.db2.gz	FFTJDGZQLJNVIB-SECBINFHSA-N	1	1	266.341	3.147	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCC2(C1)CCOCC2	ZINC000370213799	378994527	/nfs/dbraw/zinc/99/45/27/378994527.db2.gz	XMBNMHUQNCUGKI-HNNXBMFYSA-N	1	1	275.392	3.346	10	10		CGCEMO
CCC(CC)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O	ZINC000037328780	173129167	/nfs/dbraw/zinc/12/91/67/173129167.db2.gz	NLZMLSXHCNDRGE-UHFFFAOYSA-N	1	1	267.344	3.354	10	10		CGCEMO
CCC(CC)[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O	ZINC000037328780	173129169	/nfs/dbraw/zinc/12/91/69/173129169.db2.gz	NLZMLSXHCNDRGE-UHFFFAOYSA-N	1	1	267.344	3.354	10	10		CGCEMO
CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1	ZINC000272446326	263004553	/nfs/dbraw/zinc/00/45/53/263004553.db2.gz	PCSRGWMKXMLEAW-TZMCWYRMSA-N	1	1	281.371	3.215	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCC[C@H](OC)CC1	ZINC000368030802	267138594	/nfs/dbraw/zinc/13/85/94/267138594.db2.gz	PPAPNTBAZIJCEW-DZGCQCFKSA-N	1	1	263.381	3.344	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C	ZINC000251169384	334357674	/nfs/dbraw/zinc/35/76/74/334357674.db2.gz	BKJWLSZIRUWAHA-IJEWVQPXSA-N	1	1	274.408	3.012	10	10		CGCEMO
CCC[C@H]([NH3+])c1cc(C)cc(Br)c1O	ZINC000757133302	617759730	/nfs/dbraw/zinc/75/97/30/617759730.db2.gz	PMYJYJFBZGVSOL-JTQLQIEISA-N	1	1	258.159	3.263	10	10		CGCEMO
Cc1ccsc1C[NH2+]Cc1cccc(F)c1O	ZINC000158810779	619428672	/nfs/dbraw/zinc/42/86/72/619428672.db2.gz	WHJXDLRJFVLOSG-UHFFFAOYSA-N	1	1	251.326	3.191	10	10		CGCEMO
Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1	ZINC000122966137	370908769	/nfs/dbraw/zinc/90/87/69/370908769.db2.gz	NHZNSCVGNXDBNG-SFHVURJKSA-N	1	1	298.434	3.095	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1	ZINC000179584672	373890938	/nfs/dbraw/zinc/89/09/38/373890938.db2.gz	BUVCKSMXHWFCGR-IEBWSBKVSA-N	1	1	297.398	3.480	10	10		CGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3O)C2)c1	ZINC000152909270	261071138	/nfs/dbraw/zinc/07/11/38/261071138.db2.gz	LFVXOBROPHNUQY-QGZVFWFLSA-N	1	1	299.418	3.351	10	10		CGCEMO
CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1	ZINC000180138400	329217776	/nfs/dbraw/zinc/21/77/76/329217776.db2.gz	OVGRFVQRCANMOX-INIZCTEOSA-N	1	1	299.418	3.297	10	10		CGCEMO
C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1O	ZINC000165015349	331305584	/nfs/dbraw/zinc/30/55/84/331305584.db2.gz	OUHIMRAYMIPMOJ-GFCCVEGCSA-N	1	1	289.350	3.348	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CCCC23CCCC3)c1	ZINC000378349063	534199762	/nfs/dbraw/zinc/19/97/62/534199762.db2.gz	IOKZVEOIVNOKGV-UHFFFAOYSA-N	1	1	261.365	3.309	10	10		CGCEMO
Cc1cnc([C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)o1	ZINC000227555907	619280379	/nfs/dbraw/zinc/28/03/79/619280379.db2.gz	OAHQXYYHSGHUTO-SECBINFHSA-N	1	1	266.728	3.193	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C	ZINC000048621673	619513329	/nfs/dbraw/zinc/51/33/29/619513329.db2.gz	PYHIMYFEIINFQW-RDJZCZTQSA-N	1	1	275.392	3.152	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C	ZINC000048621674	619513426	/nfs/dbraw/zinc/51/34/26/619513426.db2.gz	PYHIMYFEIINFQW-DOTOQJQBSA-N	1	1	275.392	3.152	10	10		CGCEMO
CCC[N@@H+](Cc1ccc(N)cc1)Cc1ccccn1	ZINC000035364779	172154497	/nfs/dbraw/zinc/15/44/97/172154497.db2.gz	QOYLOPCRKURZDZ-UHFFFAOYSA-N	1	1	255.365	3.076	10	10		CGCEMO
C[C@@H]1CCC[C@](C[NH2+]Cc2cccc(F)c2O)(N(C)C)C1	ZINC000165033415	622854462	/nfs/dbraw/zinc/85/44/62/622854462.db2.gz	YUPZJIPRTHOEPL-DYVFJYSZSA-N	1	1	294.414	3.131	10	10		CGCEMO
CN(C)c1ccc(/C=C\C[N@@H+](C)CCc2ccccn2)cc1	ZINC000103862083	632745547	/nfs/dbraw/zinc/74/55/47/632745547.db2.gz	NLKNAQFSIBXYGE-SREVYHEPSA-N	1	1	295.430	3.335	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCCN2CCC[C@@H]2C1	ZINC000134199149	334084117	/nfs/dbraw/zinc/08/41/17/334084117.db2.gz	TWOPCOLIONUUOK-ZBFHGGJFSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@@H](c1ccccc1O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000134199149	334084119	/nfs/dbraw/zinc/08/41/19/334084119.db2.gz	TWOPCOLIONUUOK-ZBFHGGJFSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@@H](c1ccccc1O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000134199149	334084120	/nfs/dbraw/zinc/08/41/20/334084120.db2.gz	TWOPCOLIONUUOK-ZBFHGGJFSA-N	1	1	274.408	3.013	10	10		CGCEMO
C[C@@H]1CCC[C@@](C[NH2+]Cc2cccc(F)c2O)(N(C)C)C1	ZINC000165033174	622854386	/nfs/dbraw/zinc/85/43/86/622854386.db2.gz	YUPZJIPRTHOEPL-CXAGYDPISA-N	1	1	294.414	3.131	10	10		CGCEMO
C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c(O)ccc2ccccc21	ZINC000153221215	623827780	/nfs/dbraw/zinc/82/77/80/623827780.db2.gz	NXFVVULWYJYJJI-GDBMZVCRSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000153221215	623827783	/nfs/dbraw/zinc/82/77/83/623827783.db2.gz	NXFVVULWYJYJJI-GDBMZVCRSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000153221215	623827787	/nfs/dbraw/zinc/82/77/87/623827787.db2.gz	NXFVVULWYJYJJI-GDBMZVCRSA-N	1	1	296.414	3.214	10	10		CGCEMO
Cc1cc(C[N@@H+]2CC[C@H](N(C)C)C2)c(O)c(C(C)(C)C)c1	ZINC000170843152	624648069	/nfs/dbraw/zinc/64/80/69/624648069.db2.gz	HZQFIXVLBKCEEN-HNNXBMFYSA-N	1	1	290.451	3.134	10	10		CGCEMO
Cc1cc(CN2CC[C@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1	ZINC000170843152	624648079	/nfs/dbraw/zinc/64/80/79/624648079.db2.gz	HZQFIXVLBKCEEN-HNNXBMFYSA-N	1	1	290.451	3.134	10	10		CGCEMO
CCc1ccccc1C[NH2+]Cc1cccc(F)c1O	ZINC000158781395	392576276	/nfs/dbraw/zinc/57/62/76/392576276.db2.gz	NRMUISSVIGXCIX-UHFFFAOYSA-N	1	1	259.324	3.384	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1	ZINC000179584647	392704157	/nfs/dbraw/zinc/70/41/57/392704157.db2.gz	BUVCKSMXHWFCGR-PKOBYXMFSA-N	1	1	297.398	3.480	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](N2CCCC2)C1	ZINC000133949336	334074795	/nfs/dbraw/zinc/07/47/95/334074795.db2.gz	NUNDAIQLBRAJFD-GOEBONIOSA-N	1	1	274.408	3.013	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccccc1OC(F)F	ZINC000164936705	622851884	/nfs/dbraw/zinc/85/18/84/622851884.db2.gz	VJBGRNLAAKUPFW-UHFFFAOYSA-N	1	1	297.276	3.423	10	10		CGCEMO
CN(C)c1ccc(C=Cc2[nH]c3ccc(N)cc3[nH+]2)cc1	ZINC000003897850	368523264	/nfs/dbraw/zinc/52/32/64/368523264.db2.gz	MYJLCHDXKWUPJO-BJMVGYQFSA-N	1	1	278.359	3.382	10	10		CGCEMO
Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccco1)OCO2	ZINC000116256621	370554110	/nfs/dbraw/zinc/55/41/10/370554110.db2.gz	OHSOMRBDNBGQTK-LBPRGKRZSA-N	1	1	287.315	3.051	10	10		CGCEMO
Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2[O-])cn1	ZINC000180052920	373959461	/nfs/dbraw/zinc/95/94/61/373959461.db2.gz	KEDKUUPWAWNHKZ-AWEZNQCLSA-N	1	1	291.782	3.116	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1	ZINC000092812836	392232218	/nfs/dbraw/zinc/23/22/18/392232218.db2.gz	KFTVEPGTSUKSDW-HNNXBMFYSA-N	1	1	297.402	3.030	10	10		CGCEMO
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3O)C2)n1	ZINC000179567700	392704599	/nfs/dbraw/zinc/70/45/99/392704599.db2.gz	XJIVBLCJRWEAGN-HNNXBMFYSA-N	1	1	297.402	3.030	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccco1	ZINC000180138129	329217745	/nfs/dbraw/zinc/21/77/45/329217745.db2.gz	QUOCWKWVELOCQX-CYBMUJFWSA-N	1	1	261.296	3.461	10	10		CGCEMO
C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc(F)c2O)C1	ZINC000229554077	623145134	/nfs/dbraw/zinc/14/51/34/623145134.db2.gz	UHMGZXXEPGFIMI-IJLUTSLNSA-N	1	1	251.345	3.398	10	10		CGCEMO
C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cccc(F)c2O)C1	ZINC000229554077	623145138	/nfs/dbraw/zinc/14/51/38/623145138.db2.gz	UHMGZXXEPGFIMI-IJLUTSLNSA-N	1	1	251.345	3.398	10	10		CGCEMO
C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(Cl)ccc1O	ZINC000211722702	636175762	/nfs/dbraw/zinc/17/57/62/636175762.db2.gz	NJOSWIMXSOIGLE-IUODEOHRSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000211722702	636175766	/nfs/dbraw/zinc/17/57/66/636175766.db2.gz	NJOSWIMXSOIGLE-IUODEOHRSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cc(Cl)ccc1O	ZINC000211722702	636175769	/nfs/dbraw/zinc/17/57/69/636175769.db2.gz	NJOSWIMXSOIGLE-IUODEOHRSA-N	1	1	294.826	3.104	10	10		CGCEMO
COc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2O)c1	ZINC000165021573	331305571	/nfs/dbraw/zinc/30/55/71/331305571.db2.gz	HHWSTCHDVCSNJT-NSHDSACASA-N	1	1	275.323	3.391	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](N2CCCC2)C1	ZINC000133949140	334074715	/nfs/dbraw/zinc/07/47/15/334074715.db2.gz	NUNDAIQLBRAJFD-HOCLYGCPSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCN2CCCC[C@H]2C1	ZINC000251254887	334359028	/nfs/dbraw/zinc/35/90/28/334359028.db2.gz	NBTXOIXRJACKQG-HOCLYGCPSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O	ZINC000062747614	623266958	/nfs/dbraw/zinc/26/69/58/623266958.db2.gz	DLEHUSPVYLQDQP-JSGCOSHPSA-N	1	1	282.403	3.158	10	10		CGCEMO
CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000246452667	640675199	/nfs/dbraw/zinc/67/51/99/640675199.db2.gz	PJCMGKYABRAHFC-RLFYNMQTSA-N	1	1	289.467	3.132	10	10		CGCEMO
CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000246452667	640675205	/nfs/dbraw/zinc/67/52/05/640675205.db2.gz	PJCMGKYABRAHFC-RLFYNMQTSA-N	1	1	289.467	3.132	10	10		CGCEMO
CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1	ZINC000226608993	376366644	/nfs/dbraw/zinc/36/66/44/376366644.db2.gz	XCTYXIXYDAZAHK-NEPJUHHUSA-N	1	1	269.385	3.295	10	10		CGCEMO
C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccc(N)cc1	ZINC000042601516	174817248	/nfs/dbraw/zinc/81/72/48/174817248.db2.gz	LUOSJALQIGMNJY-CZUORRHYSA-N	1	1	262.397	3.158	10	10		CGCEMO
CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1	ZINC000272446321	263004652	/nfs/dbraw/zinc/00/46/52/263004652.db2.gz	PCSRGWMKXMLEAW-JSGCOSHPSA-N	1	1	281.371	3.215	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1	ZINC000179950036	329213687	/nfs/dbraw/zinc/21/36/87/329213687.db2.gz	QEEUIXIFKCKMFN-MRXNPFEDSA-N	1	1	298.386	3.087	10	10		CGCEMO
CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1	ZINC000180138388	329217990	/nfs/dbraw/zinc/21/79/90/329217990.db2.gz	OVGRFVQRCANMOX-MRXNPFEDSA-N	1	1	299.418	3.297	10	10		CGCEMO
COc1ccc([C@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000165045457	331305726	/nfs/dbraw/zinc/30/57/26/331305726.db2.gz	MEZJEYGLQKATJC-NSHDSACASA-N	1	1	275.323	3.391	10	10		CGCEMO
Cc1noc(C[NH2+][C@@H](C)c2ccc3ccccc3c2O)n1	ZINC000038034487	260124464	/nfs/dbraw/zinc/12/44/64/260124464.db2.gz	BUSJVDRFFSACGA-JTQLQIEISA-N	1	1	283.331	3.088	10	10		CGCEMO
Oc1ccc2ccccc2c1C[N@H+]1CCCN(C2CC2)CC1	ZINC000179729287	329208192	/nfs/dbraw/zinc/20/81/92/329208192.db2.gz	NROZSSAZMXQHQC-UHFFFAOYSA-N	1	1	296.414	3.216	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(F)cc1O	ZINC000248736762	329898122	/nfs/dbraw/zinc/89/81/22/329898122.db2.gz	PYKIKZBFMMPSMX-YWSWHFDRSA-N	1	1	291.366	3.140	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21	ZINC000133474524	636900612	/nfs/dbraw/zinc/90/06/12/636900612.db2.gz	XFTFNSZJTRBZRQ-DZGCQCFKSA-N	1	1	281.783	3.189	10	10		CGCEMO
COc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1O	ZINC000092758109	370100795	/nfs/dbraw/zinc/10/07/95/370100795.db2.gz	ZIPMHEDTSBPZQE-INIZCTEOSA-N	1	1	298.386	3.087	10	10		CGCEMO
CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1	ZINC000226608997	376365965	/nfs/dbraw/zinc/36/59/65/376365965.db2.gz	XCTYXIXYDAZAHK-NWDGAFQWSA-N	1	1	269.385	3.295	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)cc1O	ZINC000248515241	377334261	/nfs/dbraw/zinc/33/42/61/377334261.db2.gz	NZNVAKHPMVPCHW-YZOIGVHSSA-N	1	1	279.355	3.140	10	10		CGCEMO
CC(C)[N@@H+](Cc1ccc(N)cc1)Cc1cccnc1	ZINC000035365360	172154935	/nfs/dbraw/zinc/15/49/35/172154935.db2.gz	AZRKCCOAGYUUBH-UHFFFAOYSA-N	1	1	255.365	3.074	10	10		CGCEMO
Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2O)cs1	ZINC000189919778	329390205	/nfs/dbraw/zinc/39/02/05/329390205.db2.gz	LBZOCXCPKRJNGE-AWEZNQCLSA-N	1	1	274.389	3.494	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCCN2CCC[C@@H]2C1	ZINC000134199265	334084081	/nfs/dbraw/zinc/08/40/81/334084081.db2.gz	TWOPCOLIONUUOK-GDBMZVCRSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1CCC[N@@H+]2CCC[C@@H]2C1	ZINC000134199265	334084082	/nfs/dbraw/zinc/08/40/82/334084082.db2.gz	TWOPCOLIONUUOK-GDBMZVCRSA-N	1	1	274.408	3.013	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1CCC[N@H+]2CCC[C@@H]2C1	ZINC000134199265	334084083	/nfs/dbraw/zinc/08/40/83/334084083.db2.gz	TWOPCOLIONUUOK-GDBMZVCRSA-N	1	1	274.408	3.013	10	10		CGCEMO
Cc1ccc(OCc2ccc(Cl)s2)c(N)[nH+]1	ZINC000050440930	525445549	/nfs/dbraw/zinc/44/55/49/525445549.db2.gz	HUCFHVVKDFPLBG-UHFFFAOYSA-N	1	1	254.742	3.266	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCc1ccc(F)cc1	ZINC000083458575	618008574	/nfs/dbraw/zinc/00/85/74/618008574.db2.gz	NJOHQCXOOOPSOI-UHFFFAOYSA-N	1	1	263.287	3.003	10	10		CGCEMO
C[C@H]1C[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1	ZINC000171606490	623178719	/nfs/dbraw/zinc/17/87/19/623178719.db2.gz	LZNIHTCULZKWKX-NSHDSACASA-N	1	1	295.448	3.333	10	10		CGCEMO
Nc1ccc(N2CC[NH+]=C2c2ccc(Cl)cc2)cc1	ZINC000011847809	368596586	/nfs/dbraw/zinc/59/65/86/368596586.db2.gz	HKQXXJLXNMWOGL-UHFFFAOYSA-N	1	1	271.751	3.189	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1	ZINC000179584686	373890262	/nfs/dbraw/zinc/89/02/62/373890262.db2.gz	BUVCKSMXHWFCGR-MJGOQNOKSA-N	1	1	297.398	3.480	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCCOC(C)(C)C1	ZINC000312064336	262347156	/nfs/dbraw/zinc/34/71/56/262347156.db2.gz	DWJNUGCZCOGYQD-AWEZNQCLSA-N	1	1	263.381	3.344	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1	ZINC000179567273	329209792	/nfs/dbraw/zinc/20/97/92/329209792.db2.gz	JCLZVBXDUMCDKS-ZDUSSCGKSA-N	1	1	274.389	3.228	10	10		CGCEMO
C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)[C@H](C)C1	ZINC000158772105	618734431	/nfs/dbraw/zinc/73/44/31/618734431.db2.gz	ASXFIJCZIWMPRT-GYSYKLTISA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1	ZINC000164450690	622834349	/nfs/dbraw/zinc/83/43/49/622834349.db2.gz	JEXDOUHQOWRSAO-CYBMUJFWSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1	ZINC000164450690	622834350	/nfs/dbraw/zinc/83/43/50/622834350.db2.gz	JEXDOUHQOWRSAO-CYBMUJFWSA-N	1	1	293.407	3.171	10	10		CGCEMO
CC(C)Oc1ncccc1C[NH2+]Cc1cccc(F)c1O	ZINC000165034203	622854437	/nfs/dbraw/zinc/85/44/37/622854437.db2.gz	DPWZSDAZJLQGAH-UHFFFAOYSA-N	1	1	290.338	3.003	10	10		CGCEMO
Cc1cc(Br)c(O)c([C@@H]([NH3+])C(C)C)c1	ZINC000238170376	624746423	/nfs/dbraw/zinc/74/64/23/624746423.db2.gz	AYYALKSMFBSSEE-JTQLQIEISA-N	1	1	258.159	3.119	10	10		CGCEMO
C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(F)c1O	ZINC000158736089	640016010	/nfs/dbraw/zinc/01/60/10/640016010.db2.gz	CNWGMIQRWUVDMK-SNVBAGLBSA-N	1	1	265.353	3.314	10	10		CGCEMO
C[C@H]1CC([NH2+]Cc2cccc(F)c2O)C[C@H](C)C1	ZINC000158782282	640018185	/nfs/dbraw/zinc/01/81/85/640018185.db2.gz	JFEXNRLLZMYOLB-GHMZBOCLSA-N	1	1	251.345	3.446	10	10		CGCEMO
C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C[C@@H](C)C1	ZINC000252768602	640862495	/nfs/dbraw/zinc/86/24/95/640862495.db2.gz	JFEXNRLLZMYOLB-PJXYFTJBSA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1cc(O)c(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1C	ZINC000092810788	370102020	/nfs/dbraw/zinc/10/20/20/370102020.db2.gz	FTNCVSJUEBMYMN-UHFFFAOYSA-N	1	1	285.391	3.112	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(F)cc1O	ZINC000248736753	377391138	/nfs/dbraw/zinc/39/11/38/377391138.db2.gz	PYKIKZBFMMPSMX-SQWYCQTGSA-N	1	1	291.366	3.140	10	10		CGCEMO
Oc1cc2c(cc1C[N@H+]1CCCC13CCCC3)OCO2	ZINC000365528065	382288951	/nfs/dbraw/zinc/28/89/51/382288951.db2.gz	JWVHSFJOVAURPS-UHFFFAOYSA-N	1	1	275.348	3.030	10	10		CGCEMO
CC[N@@H+](CCC(=O)Nc1ccc(N)cc1)C1CCCCC1	ZINC000022172808	171368628	/nfs/dbraw/zinc/36/86/28/171368628.db2.gz	WDOAVPJZRXJLJW-UHFFFAOYSA-N	1	1	289.423	3.252	10	10		CGCEMO
CC[C@H](C)C[N@@H+](C)CCCOc1ccc(N)cc1	ZINC000037172193	173005573	/nfs/dbraw/zinc/00/55/73/173005573.db2.gz	DXUAYVUBXFRCTP-ZDUSSCGKSA-N	1	1	250.386	3.016	10	10		CGCEMO
Cc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1O	ZINC000179986669	261829510	/nfs/dbraw/zinc/82/95/10/261829510.db2.gz	ZGSFCWDVCOQWTA-OAHLLOKOSA-N	1	1	297.402	3.030	10	10		CGCEMO
Cc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1O	ZINC000180262595	329219205	/nfs/dbraw/zinc/21/92/05/329219205.db2.gz	YRPOVDVCNBCMTN-HNNXBMFYSA-N	1	1	271.364	3.151	10	10		CGCEMO
C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)[C@H]1C	ZINC000252766980	617626573	/nfs/dbraw/zinc/62/65/73/617626573.db2.gz	HSTVMYITGKYENE-SUNKGSAMSA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1cc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1C	ZINC000177641690	618834063	/nfs/dbraw/zinc/83/40/63/618834063.db2.gz	PVAOEKWFBIMWPO-CYBMUJFWSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1cc(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)cc1C	ZINC000177641690	618834064	/nfs/dbraw/zinc/83/40/64/618834064.db2.gz	PVAOEKWFBIMWPO-CYBMUJFWSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1ccc(OC[C@@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000165032781	622854687	/nfs/dbraw/zinc/85/46/87/622854687.db2.gz	YHXGAQSWUPZAER-CYBMUJFWSA-N	1	1	289.350	3.397	10	10		CGCEMO
Oc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O	ZINC000093479699	370135477	/nfs/dbraw/zinc/13/54/77/370135477.db2.gz	FTEWMKVJQYLYNO-RTHVDDQRSA-N	1	1	297.398	3.138	10	10		CGCEMO
Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2O)cn1	ZINC000131874893	371136270	/nfs/dbraw/zinc/13/62/70/371136270.db2.gz	PEKDUMGJFNOGMT-AWEZNQCLSA-N	1	1	291.782	3.116	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@]12CCOC2	ZINC000311771951	374255151	/nfs/dbraw/zinc/25/51/51/374255151.db2.gz	GPGPFIZROVECDB-HOCLYGCPSA-N	1	1	261.365	3.098	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@@H](OC)CC1	ZINC000368030803	392485301	/nfs/dbraw/zinc/48/53/01/392485301.db2.gz	PPAPNTBAZIJCEW-HIFRSBDPSA-N	1	1	263.381	3.344	10	10		CGCEMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC(=O)Nc1ccc(N)cc1	ZINC000022219829	171377080	/nfs/dbraw/zinc/37/70/80/171377080.db2.gz	QXZOLEYFGNJCAZ-OKILXGFUSA-N	1	1	289.423	3.250	10	10		CGCEMO
CCOc1cccc(C[NH2+]Cc2cccc(F)c2O)c1	ZINC000165019900	331305551	/nfs/dbraw/zinc/30/55/51/331305551.db2.gz	NDKQIWIYXFRFBV-UHFFFAOYSA-N	1	1	275.323	3.220	10	10		CGCEMO
C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCS1	ZINC000160145530	617607288	/nfs/dbraw/zinc/60/72/88/617607288.db2.gz	SQMHUWPQFVUMEQ-LBPRGKRZSA-N	1	1	277.433	3.208	10	10		CGCEMO
CC[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000027518486	368871521	/nfs/dbraw/zinc/87/15/21/368871521.db2.gz	YPNFSVPDCPRGIG-CQSZACIVSA-N	1	1	281.355	3.240	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C)c1O	ZINC000180135932	329211914	/nfs/dbraw/zinc/21/19/14/329211914.db2.gz	TVEPABGERQKBNY-MRXNPFEDSA-N	1	1	299.418	3.388	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H]2CCCC[C@H]21	ZINC000251173077	334357791	/nfs/dbraw/zinc/35/77/91/334357791.db2.gz	BXAMRXCSZDJDHQ-INMHGKMJSA-N	1	1	275.392	3.487	10	10		CGCEMO
Cc1cccc(NCc2ccc(N3CC=CC3)cc2)[nH+]1	ZINC000157675468	524681922	/nfs/dbraw/zinc/68/19/22/524681922.db2.gz	UWXSSAUHTAZJRT-UHFFFAOYSA-N	1	1	265.360	3.378	10	10		CGCEMO
COc1cc(Cl)cc(C[NH2+][C@@H](C)c2ncc(C)o2)c1O	ZINC000231530140	623328990	/nfs/dbraw/zinc/32/89/90/623328990.db2.gz	XTBBWEHETNGPTB-VIFPVBQESA-N	1	1	296.754	3.201	10	10		CGCEMO
C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)[C@@H]1C	ZINC000158672770	640013058	/nfs/dbraw/zinc/01/30/58/640013058.db2.gz	HSTVMYITGKYENE-JTNHKYCSSA-N	1	1	251.345	3.446	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2ccco2)c1	ZINC000180193399	329218189	/nfs/dbraw/zinc/21/81/89/329218189.db2.gz	ZNTBZMGFYGJJEQ-AWEZNQCLSA-N	1	1	273.332	3.331	10	10		CGCEMO
Cc1cc(C[N@@H+]2CC[C@@H](N(C)C)C2)c(O)c(C(C)(C)C)c1	ZINC000170843155	624648177	/nfs/dbraw/zinc/64/81/77/624648177.db2.gz	HZQFIXVLBKCEEN-OAHLLOKOSA-N	1	1	290.451	3.134	10	10		CGCEMO
Cc1cc(CN2CC[C@@H]([NH+](C)C)C2)c(O)c(C(C)(C)C)c1	ZINC000170843155	624648180	/nfs/dbraw/zinc/64/81/80/624648180.db2.gz	HZQFIXVLBKCEEN-OAHLLOKOSA-N	1	1	290.451	3.134	10	10		CGCEMO
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3O)C2)n1	ZINC000179567712	392704986	/nfs/dbraw/zinc/70/49/86/392704986.db2.gz	XJIVBLCJRWEAGN-OAHLLOKOSA-N	1	1	297.402	3.030	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CCC[C@H](c2nccs2)C1	ZINC000180029539	329214615	/nfs/dbraw/zinc/21/46/15/329214615.db2.gz	JWMXQDHVAMMOAC-NSHDSACASA-N	1	1	292.379	3.367	10	10		CGCEMO
C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c(O)ccc2ccccc21	ZINC000247091785	640709656	/nfs/dbraw/zinc/70/96/56/640709656.db2.gz	NXFVVULWYJYJJI-HOCLYGCPSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@H]1CN2CCC[C@H]2C[N@@H+]1Cc1c(O)ccc2ccccc21	ZINC000247091785	640709662	/nfs/dbraw/zinc/70/96/62/640709662.db2.gz	NXFVVULWYJYJJI-HOCLYGCPSA-N	1	1	296.414	3.214	10	10		CGCEMO
C[C@H]1CN2CCC[C@H]2C[N@H+]1Cc1c(O)ccc2ccccc21	ZINC000247091785	640709669	/nfs/dbraw/zinc/70/96/69/640709669.db2.gz	NXFVVULWYJYJJI-HOCLYGCPSA-N	1	1	296.414	3.214	10	10		CGCEMO
Cc1cc(Cl)cc(CN2CCC[N@H+](C3CC3)CC2)c1O	ZINC000179923967	329213526	/nfs/dbraw/zinc/21/35/26/329213526.db2.gz	HAXLGOUATGMJKZ-UHFFFAOYSA-N	1	1	294.826	3.024	10	10		CGCEMO
Cc1cc(Cl)cc(C[N@@H+]2CCCN(C3CC3)CC2)c1O	ZINC000179923967	329213528	/nfs/dbraw/zinc/21/35/28/329213528.db2.gz	HAXLGOUATGMJKZ-UHFFFAOYSA-N	1	1	294.826	3.024	10	10		CGCEMO
Cc1cc(Cl)cc(C[N@H+]2CCCN(C3CC3)CC2)c1O	ZINC000179923967	329213530	/nfs/dbraw/zinc/21/35/30/329213530.db2.gz	HAXLGOUATGMJKZ-UHFFFAOYSA-N	1	1	294.826	3.024	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCCOC1CCCCC1	ZINC000164940444	331305401	/nfs/dbraw/zinc/30/54/01/331305401.db2.gz	CKGGYSAZZJHDKL-UHFFFAOYSA-N	1	1	281.371	3.360	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000133474291	618401709	/nfs/dbraw/zinc/40/17/09/618401709.db2.gz	XFTFNSZJTRBZRQ-ZFWWWQNUSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@@H]21	ZINC000133474291	618401732	/nfs/dbraw/zinc/40/17/32/618401732.db2.gz	XFTFNSZJTRBZRQ-ZFWWWQNUSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]Cc1ccccc1Cl	ZINC000083482949	625603764	/nfs/dbraw/zinc/60/37/64/625603764.db2.gz	NUTOTTWEFOXINW-UHFFFAOYSA-N	1	1	265.715	3.475	10	10		CGCEMO
C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc(F)c2O)C1	ZINC000168241846	622996887	/nfs/dbraw/zinc/99/68/87/622996887.db2.gz	UHMGZXXEPGFIMI-UTUOFQBUSA-N	1	1	251.345	3.398	10	10		CGCEMO
C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cccc(F)c2O)C1	ZINC000168241846	622996892	/nfs/dbraw/zinc/99/68/92/622996892.db2.gz	UHMGZXXEPGFIMI-UTUOFQBUSA-N	1	1	251.345	3.398	10	10		CGCEMO
Cc1cc(Br)c(O)c([C@H]([NH3+])C(C)C)c1	ZINC000238169900	624746348	/nfs/dbraw/zinc/74/63/48/624746348.db2.gz	AYYALKSMFBSSEE-SNVBAGLBSA-N	1	1	258.159	3.119	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1	ZINC000246806536	640693663	/nfs/dbraw/zinc/69/36/63/640693663.db2.gz	PSQPTJVYUZQVJY-CVEARBPZSA-N	1	1	275.392	3.152	10	10		CGCEMO
Cc1cccc(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O	ZINC000180156818	373972294	/nfs/dbraw/zinc/97/22/94/373972294.db2.gz	UVCNTRLQYIYCLL-UHFFFAOYSA-N	1	1	299.418	3.116	10	10		CGCEMO
Cc1cccc(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1O	ZINC000180156818	373972301	/nfs/dbraw/zinc/97/23/01/373972301.db2.gz	UVCNTRLQYIYCLL-UHFFFAOYSA-N	1	1	299.418	3.116	10	10		CGCEMO
CN(C)c1ccc([C@@H](CN)[N@@H+](C)CC2CCCCC2)cc1	ZINC000020226122	171090004	/nfs/dbraw/zinc/09/00/04/171090004.db2.gz	WMVXBALOIUNJCZ-GOSISDBHSA-N	1	1	289.467	3.265	10	10		CGCEMO
CN(C)c1ccc([C@@H](C[NH3+])N(C)CC2CCCCC2)cc1	ZINC000020226122	171090006	/nfs/dbraw/zinc/09/00/06/171090006.db2.gz	WMVXBALOIUNJCZ-GOSISDBHSA-N	1	1	289.467	3.265	10	10		CGCEMO
CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C	ZINC000251169387	334357551	/nfs/dbraw/zinc/35/75/51/334357551.db2.gz	BKJWLSZIRUWAHA-YCPHGPKFSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC1CCC(C[NH2+]Cc2cccc(F)c2O)CC1	ZINC000158766832	619421036	/nfs/dbraw/zinc/42/10/36/619421036.db2.gz	NVCSVSRVLUMNOU-UHFFFAOYSA-N	1	1	251.345	3.447	10	10		CGCEMO
CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1O	ZINC000062747616	623266368	/nfs/dbraw/zinc/26/63/68/623266368.db2.gz	DLEHUSPVYLQDQP-OCCSQVGLSA-N	1	1	282.403	3.158	10	10		CGCEMO
Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccco1)OCO2	ZINC000116256624	370553693	/nfs/dbraw/zinc/55/36/93/370553693.db2.gz	OHSOMRBDNBGQTK-GFCCVEGCSA-N	1	1	287.315	3.051	10	10		CGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(C)c3O)C2)c1	ZINC000180140360	373970436	/nfs/dbraw/zinc/97/04/36/373970436.db2.gz	LJYOGOMVCXRCGW-INIZCTEOSA-N	1	1	285.391	3.043	10	10		CGCEMO
C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1O	ZINC000281623267	263070904	/nfs/dbraw/zinc/07/09/04/263070904.db2.gz	NVDUALKSMIENBF-RNJOBUHISA-N	1	1	281.371	3.386	10	10		CGCEMO
COc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2O)c1	ZINC000165021701	331305580	/nfs/dbraw/zinc/30/55/80/331305580.db2.gz	HHWSTCHDVCSNJT-LLVKDONJSA-N	1	1	275.323	3.391	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1C[C@H]2CCCN2C[C@@H]1C	ZINC000251237003	334358478	/nfs/dbraw/zinc/35/84/78/334358478.db2.gz	LJQQYYIKUGDVOA-SQWLQELKSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000251237003	334358479	/nfs/dbraw/zinc/35/84/79/334358479.db2.gz	LJQQYYIKUGDVOA-SQWLQELKSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C	ZINC000251237003	334358480	/nfs/dbraw/zinc/35/84/80/334358480.db2.gz	LJQQYYIKUGDVOA-SQWLQELKSA-N	1	1	274.408	3.012	10	10		CGCEMO
CN(CCC[NH2+]c1ccc(N)cc1)c1ccccc1	ZINC000034939572	344941187	/nfs/dbraw/zinc/94/11/87/344941187.db2.gz	KCNVCIILHHWJML-UHFFFAOYSA-N	1	1	255.365	3.207	10	10		CGCEMO
Cc1ccc(O)c(C[N@H+]2CCc3c(nc(C(C)C)n3C)C2)c1	ZINC000123341837	370911261	/nfs/dbraw/zinc/91/12/61/370911261.db2.gz	XQXODAIIQTXFGN-UHFFFAOYSA-N	1	1	299.418	3.116	10	10		CGCEMO
Cc1ccc(O)c(C[N@@H+]2CCc3c(nc(C(C)C)n3C)C2)c1	ZINC000123341837	370911262	/nfs/dbraw/zinc/91/12/62/370911262.db2.gz	XQXODAIIQTXFGN-UHFFFAOYSA-N	1	1	299.418	3.116	10	10		CGCEMO
Cc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1O	ZINC000179949918	329213874	/nfs/dbraw/zinc/21/38/74/329213874.db2.gz	IUVVDDCEMQSLBT-KRWDZBQOSA-N	1	1	282.387	3.387	10	10		CGCEMO
Cc1ccc([C@H]2C[N@@H+](Cc3cc(C)ccc3O)CCO2)o1	ZINC000093865028	370164948	/nfs/dbraw/zinc/16/49/48/370164948.db2.gz	KOPCYZDZADZOKJ-QGZVFWFLSA-N	1	1	287.359	3.176	10	10		CGCEMO
Oc1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21	ZINC000245578975	376859891	/nfs/dbraw/zinc/85/98/91/376859891.db2.gz	ANSRTAGCJGKQFQ-HIFRSBDPSA-N	1	1	263.406	3.252	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O	ZINC000180135951	329211844	/nfs/dbraw/zinc/21/18/44/329211844.db2.gz	TVEPABGERQKBNY-INIZCTEOSA-N	1	1	299.418	3.388	10	10		CGCEMO
CCN1CCC([NH2+]Cc2c(O)ccc3ccccc32)CC1	ZINC000038097904	521581549	/nfs/dbraw/zinc/58/15/49/521581549.db2.gz	CGBJYSNSHNWGAU-UHFFFAOYSA-N	1	1	284.403	3.119	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1	ZINC000164286949	622827275	/nfs/dbraw/zinc/82/72/75/622827275.db2.gz	BUTJBQJKVJCZST-MRXNPFEDSA-N	1	1	285.391	3.080	10	10		CGCEMO
COc1cccc2c1CC[N@@H+](Cc1ccccc1O)CC2	ZINC000194571381	376019056	/nfs/dbraw/zinc/01/90/56/376019056.db2.gz	MHOIDDMZBBGHEW-UHFFFAOYSA-N	1	1	283.371	3.002	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+][C@@H]1CCCc2occc21	ZINC000158682056	392574027	/nfs/dbraw/zinc/57/40/27/392574027.db2.gz	UAJVIICPFJVKBL-CYBMUJFWSA-N	1	1	261.296	3.292	10	10		CGCEMO
Oc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1	ZINC000179584659	392704689	/nfs/dbraw/zinc/70/46/89/392704689.db2.gz	BUVCKSMXHWFCGR-HKUYNNGSSA-N	1	1	297.398	3.480	10	10		CGCEMO
[NH3+][C@H](CC(F)F)c1c(O)cc(Cl)cc1Cl	ZINC000575437254	393198897	/nfs/dbraw/zinc/19/88/97/393198897.db2.gz	RCQJEZJMBAKDQQ-ZCFIWIBFSA-N	1	1	256.079	3.354	10	10		CGCEMO
Cc1ccc([C@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)o1	ZINC000180246394	329218873	/nfs/dbraw/zinc/21/88/73/329218873.db2.gz	IBDSCBGWWVNIMJ-MRXNPFEDSA-N	1	1	291.322	3.006	10	10		CGCEMO
Cc1ccc([C@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)o1	ZINC000180246394	329218875	/nfs/dbraw/zinc/21/88/75/329218875.db2.gz	IBDSCBGWWVNIMJ-MRXNPFEDSA-N	1	1	291.322	3.006	10	10		CGCEMO
[NH3+][C@@H](c1ccccc1)c1cc(Cl)c(F)cc1O	ZINC000757132349	617755015	/nfs/dbraw/zinc/75/50/15/617755015.db2.gz	FDAFOBFIRCNBOB-ZDUSSCGKSA-N	1	1	251.688	3.233	10	10		CGCEMO
CC(C)[N@H+]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000181283642	624841067	/nfs/dbraw/zinc/84/10/67/624841067.db2.gz	PJCMGKYABRAHFC-MPGHIAIKSA-N	1	1	289.467	3.132	10	10		CGCEMO
CC(C)[N@@H+]1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000181283642	624841069	/nfs/dbraw/zinc/84/10/69/624841069.db2.gz	PJCMGKYABRAHFC-MPGHIAIKSA-N	1	1	289.467	3.132	10	10		CGCEMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc(Cl)c1[O-]	ZINC000252728657	640860800	/nfs/dbraw/zinc/86/08/00/640860800.db2.gz	CEQZZINUZGWXKQ-OCCSQVGLSA-N	1	1	294.826	3.104	10	10		CGCEMO
CC1(C)CC([NH2+]Cc2cc(Cl)ccc2[O-])CC(C)(C)[NH2+]1	ZINC000020143354	171029378	/nfs/dbraw/zinc/02/93/78/171029378.db2.gz	BMQVBZBBRXBFPY-UHFFFAOYSA-N	1	1	296.842	3.444	10	10		CGCEMO
CC[C@H](C)[N@@H+](CC)CCCOc1ccc(N)cc1	ZINC000037112154	172963561	/nfs/dbraw/zinc/96/35/61/172963561.db2.gz	ZRUCGGNEKPGZMR-ZDUSSCGKSA-N	1	1	250.386	3.158	10	10		CGCEMO
Cc1ccc([C@@H]2C[N@H+](Cc3cc(F)ccc3O)CCO2)o1	ZINC000180246374	329218886	/nfs/dbraw/zinc/21/88/86/329218886.db2.gz	IBDSCBGWWVNIMJ-INIZCTEOSA-N	1	1	291.322	3.006	10	10		CGCEMO
Cc1ccc([C@@H]2C[N@@H+](Cc3cc(F)ccc3O)CCO2)o1	ZINC000180246374	329218888	/nfs/dbraw/zinc/21/88/88/329218888.db2.gz	IBDSCBGWWVNIMJ-INIZCTEOSA-N	1	1	291.322	3.006	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C	ZINC000251077014	619388131	/nfs/dbraw/zinc/38/81/31/619388131.db2.gz	PYHIMYFEIINFQW-NVXWUHKLSA-N	1	1	275.392	3.152	10	10		CGCEMO
Cc1cc(O)c(CN2CC[N@H+]3CCC[C@@H]3C2)cc1C(C)C	ZINC000172503986	623252884	/nfs/dbraw/zinc/25/28/84/623252884.db2.gz	XAZUHGSBUWZPNE-MRXNPFEDSA-N	1	1	288.435	3.104	10	10		CGCEMO
Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C	ZINC000171361449	372743159	/nfs/dbraw/zinc/74/31/59/372743159.db2.gz	VMGPKGCIXKEMDF-MRXNPFEDSA-N	1	1	285.391	3.080	10	10		CGCEMO
CC[C@@H]([NH2+]Cc1cccc(F)c1O)c1nccs1	ZINC000158778768	618734906	/nfs/dbraw/zinc/73/49/06/618734906.db2.gz	BUJDHXLGHAWBBL-LLVKDONJSA-N	1	1	266.341	3.229	10	10		CGCEMO
CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000246452677	622423813	/nfs/dbraw/zinc/42/38/13/622423813.db2.gz	PJCMGKYABRAHFC-RVKKMQEKSA-N	1	1	289.467	3.132	10	10		CGCEMO
CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000246452677	622423817	/nfs/dbraw/zinc/42/38/17/622423817.db2.gz	PJCMGKYABRAHFC-RVKKMQEKSA-N	1	1	289.467	3.132	10	10		CGCEMO
Cc1cccc(OCC[NH2+]Cc2cccc(F)c2O)c1	ZINC000165034480	622854157	/nfs/dbraw/zinc/85/41/57/622854157.db2.gz	QBOXLFCPQQLRIL-UHFFFAOYSA-N	1	1	275.323	3.008	10	10		CGCEMO
C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)[C@@H](C)C1	ZINC000226345827	622963992	/nfs/dbraw/zinc/96/39/92/622963992.db2.gz	ASXFIJCZIWMPRT-UHIISALHSA-N	1	1	251.345	3.446	10	10		CGCEMO
C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2O)C1	ZINC000226586180	622985257	/nfs/dbraw/zinc/98/52/57/622985257.db2.gz	YEYVWFVTMVSNAG-VXGBXAGGSA-N	1	1	251.345	3.447	10	10		CGCEMO
CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C)c(C)cc1O	ZINC000182076946	624936364	/nfs/dbraw/zinc/93/63/64/624936364.db2.gz	BBKFFZGIBMPQSY-DLBZAZTESA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cc(C)c(C)cc1O	ZINC000182076946	624936368	/nfs/dbraw/zinc/93/63/68/624936368.db2.gz	BBKFFZGIBMPQSY-DLBZAZTESA-N	1	1	288.435	3.068	10	10		CGCEMO
CC[C@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000182076946	624936369	/nfs/dbraw/zinc/93/63/69/624936369.db2.gz	BBKFFZGIBMPQSY-DLBZAZTESA-N	1	1	288.435	3.068	10	10		CGCEMO
CC(C)([NH2+]Cc1cccc(F)c1O)c1nccs1	ZINC000226608872	376366220	/nfs/dbraw/zinc/36/62/20/376366220.db2.gz	NSSTZCWTXDNOMM-UHFFFAOYSA-N	1	1	266.341	3.013	10	10		CGCEMO
C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](c2ccsc2)O1	ZINC000245581155	376860874	/nfs/dbraw/zinc/86/08/74/376860874.db2.gz	BMTAIFFPNQFUGS-LRDDRELGSA-N	1	1	289.400	3.416	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1C[C@@H]2CCCN2C[C@H]1C	ZINC000251236999	334358553	/nfs/dbraw/zinc/35/85/53/334358553.db2.gz	LJQQYYIKUGDVOA-IJEWVQPXSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000251236999	334358555	/nfs/dbraw/zinc/35/85/55/334358555.db2.gz	LJQQYYIKUGDVOA-IJEWVQPXSA-N	1	1	274.408	3.012	10	10		CGCEMO
CC[C@H](c1ccccc1O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C	ZINC000251236999	334358556	/nfs/dbraw/zinc/35/85/56/334358556.db2.gz	LJQQYYIKUGDVOA-IJEWVQPXSA-N	1	1	274.408	3.012	10	10		CGCEMO
Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(C)c3O)C2)c1	ZINC000180140377	373970324	/nfs/dbraw/zinc/97/03/24/373970324.db2.gz	LJYOGOMVCXRCGW-MRXNPFEDSA-N	1	1	285.391	3.043	10	10		CGCEMO
C[N@@H+](CCc1ccc(N)cc1)Cc1cccc(F)c1	ZINC000020266808	171123666	/nfs/dbraw/zinc/12/36/66/171123666.db2.gz	VWNZAIPDBJBKBU-UHFFFAOYSA-N	1	1	258.340	3.082	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1	ZINC000164287109	622827002	/nfs/dbraw/zinc/82/70/02/622827002.db2.gz	BUTJBQJKVJCZST-INIZCTEOSA-N	1	1	285.391	3.080	10	10		CGCEMO
Cc1ccc(OCc2sccc2Br)c(N)[nH+]1	ZINC000050441083	525453831	/nfs/dbraw/zinc/45/38/31/525453831.db2.gz	XRMZDJAYRVGOCT-UHFFFAOYSA-N	1	1	299.193	3.375	10	10		CGCEMO
C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2O)[C@@H]1C	ZINC000158672497	640013117	/nfs/dbraw/zinc/01/31/17/640013117.db2.gz	HSTVMYITGKYENE-GYSYKLTISA-N	1	1	251.345	3.446	10	10		CGCEMO
Cc1cccc(CC[NH2+]Cc2cccc(F)c2O)c1	ZINC000158752769	640017458	/nfs/dbraw/zinc/01/74/58/640017458.db2.gz	XULHPMREIBTOIE-UHFFFAOYSA-N	1	1	259.324	3.172	10	10		CGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)c1	ZINC000123081287	370910384	/nfs/dbraw/zinc/91/03/84/370910384.db2.gz	ZKFQXLTUBUDLRV-INIZCTEOSA-N	1	1	285.391	3.043	10	10		CGCEMO
C[NH+](C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1	ZINC000097395315	370241477	/nfs/dbraw/zinc/24/14/77/370241477.db2.gz	GGLDBUFIORAZRG-GOSISDBHSA-N	1	1	296.414	3.014	10	10		CGCEMO
C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](c2ccccc2)O1	ZINC000245578876	376860996	/nfs/dbraw/zinc/86/09/96/376860996.db2.gz	ALKRNGKTANWAHN-KSSFIOAISA-N	1	1	283.371	3.354	10	10		CGCEMO
COc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000165045563	331305759	/nfs/dbraw/zinc/30/57/59/331305759.db2.gz	MEZJEYGLQKATJC-LLVKDONJSA-N	1	1	275.323	3.391	10	10		CGCEMO
Cc1ccc(C[NH2+]Cc2cccc(F)c2O)s1	ZINC000158750953	618734341	/nfs/dbraw/zinc/73/43/41/618734341.db2.gz	LLEOKIRCRZJXEI-UHFFFAOYSA-N	1	1	251.326	3.191	10	10		CGCEMO
Cc1cc(F)ccc1CC[NH2+]Cc1cccc(F)c1O	ZINC000165047598	622855519	/nfs/dbraw/zinc/85/55/19/622855519.db2.gz	YRNROQVPZNMTCI-UHFFFAOYSA-N	1	1	277.314	3.311	10	10		CGCEMO
Cc1csc([C@H](C)[NH2+]Cc2cccc(F)c2O)n1	ZINC000158779392	640017383	/nfs/dbraw/zinc/01/73/83/640017383.db2.gz	ZQPLISNROQLUDZ-VIFPVBQESA-N	1	1	266.341	3.147	10	10		CGCEMO
C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H](c2ccsc2)O1	ZINC000245581159	376860401	/nfs/dbraw/zinc/86/04/01/376860401.db2.gz	BMTAIFFPNQFUGS-WBMJQRKESA-N	1	1	289.400	3.416	10	10		CGCEMO
COc1cccc(C[N@H+]2CCCC23CCCC3)c1O	ZINC000311742160	262340334	/nfs/dbraw/zinc/34/03/34/262340334.db2.gz	BMLAPASPRVTNLX-UHFFFAOYSA-N	1	1	261.365	3.309	10	10		CGCEMO
Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3O)C2)c1	ZINC000164387628	622829160	/nfs/dbraw/zinc/82/91/60/622829160.db2.gz	VFHMXESYRJTYEO-KRWDZBQOSA-N	1	1	299.418	3.351	10	10		CGCEMO
Cc1cnc([C@H](C)[NH2+]Cc2cc(Cl)ccc2O)o1	ZINC000227555914	623023227	/nfs/dbraw/zinc/02/32/27/623023227.db2.gz	OAHQXYYHSGHUTO-VIFPVBQESA-N	1	1	266.728	3.193	10	10		CGCEMO
Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000176080493	373553679	/nfs/dbraw/zinc/55/36/79/373553679.db2.gz	SUFIIGROBAYWIT-QGZVFWFLSA-N	1	1	299.418	3.179	10	10		CGCEMO
CCN(CC)c1ccc([C@H](CN)[NH+]2CCC(C)CC2)cc1	ZINC000039789126	174172964	/nfs/dbraw/zinc/17/29/64/174172964.db2.gz	ZSMUUHANHAWGDJ-SFHVURJKSA-N	1	1	289.467	3.265	10	10		CGCEMO
Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O	ZINC000180262577	329219054	/nfs/dbraw/zinc/21/90/54/329219054.db2.gz	YRPOVDVCNBCMTN-OAHLLOKOSA-N	1	1	271.364	3.151	10	10		CGCEMO
C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc(F)c2O)C1	ZINC000229554093	623145153	/nfs/dbraw/zinc/14/51/53/623145153.db2.gz	UHMGZXXEPGFIMI-GRYCIOLGSA-N	1	1	251.345	3.398	10	10		CGCEMO
C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cccc(F)c2O)C1	ZINC000229554093	623145163	/nfs/dbraw/zinc/14/51/63/623145163.db2.gz	UHMGZXXEPGFIMI-GRYCIOLGSA-N	1	1	251.345	3.398	10	10		CGCEMO
CCSCC[C@@H](C)[NH2+]Cc1cccc(F)c1O	ZINC000166136621	372563521	/nfs/dbraw/zinc/56/35/21/372563521.db2.gz	KSDHIENDEOBJIQ-SNVBAGLBSA-N	1	1	257.374	3.153	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1C	ZINC000093438122	392236979	/nfs/dbraw/zinc/23/69/79/392236979.db2.gz	PLUXSCLLECANSF-INIZCTEOSA-N	1	1	285.391	3.459	10	10		CGCEMO
C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(F)c1O	ZINC000158678878	392573312	/nfs/dbraw/zinc/57/33/12/392573312.db2.gz	CQHUOBPLXZUGHS-NSHDSACASA-N	1	1	263.312	3.235	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2ccco2)c1	ZINC000180193382	329218172	/nfs/dbraw/zinc/21/81/72/329218172.db2.gz	ZNTBZMGFYGJJEQ-CQSZACIVSA-N	1	1	273.332	3.331	10	10		CGCEMO
Cc1cc(O)c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1C	ZINC000124413298	370924757	/nfs/dbraw/zinc/92/47/57/370924757.db2.gz	HIIGWYCQXPQNCJ-KRWDZBQOSA-N	1	1	298.386	3.057	10	10		CGCEMO
Cc1noc(C[NH2+][C@H](C)c2ccc3ccccc3c2O)n1	ZINC000038034488	260124300	/nfs/dbraw/zinc/12/43/00/260124300.db2.gz	BUSJVDRFFSACGA-SNVBAGLBSA-N	1	1	283.331	3.088	10	10		CGCEMO
Oc1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccco1	ZINC000180138110	329217999	/nfs/dbraw/zinc/21/79/99/329217999.db2.gz	QUOCWKWVELOCQX-ZDUSSCGKSA-N	1	1	261.296	3.461	10	10		CGCEMO
C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(F)cc1O	ZINC000248515239	329891060	/nfs/dbraw/zinc/89/10/60/329891060.db2.gz	NZNVAKHPMVPCHW-YDEYXMKJSA-N	1	1	279.355	3.140	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCCc1ccccc1	ZINC000083432644	618007425	/nfs/dbraw/zinc/00/74/25/618007425.db2.gz	ITVSPCDJTYINKH-UHFFFAOYSA-N	1	1	259.324	3.254	10	10		CGCEMO
Cc1cc(C)c(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1	ZINC000246806553	640694272	/nfs/dbraw/zinc/69/42/72/640694272.db2.gz	PSQPTJVYUZQVJY-HZPDHXFCSA-N	1	1	275.392	3.152	10	10		CGCEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1O	ZINC000179572646	329209868	/nfs/dbraw/zinc/20/98/68/329209868.db2.gz	DUEHNJKHUANLLR-HNNXBMFYSA-N	1	1	285.391	3.080	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1	ZINC000179950020	329213833	/nfs/dbraw/zinc/21/38/33/329213833.db2.gz	QEEUIXIFKCKMFN-INIZCTEOSA-N	1	1	298.386	3.087	10	10		CGCEMO
C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCS1	ZINC000160145370	617607098	/nfs/dbraw/zinc/60/70/98/617607098.db2.gz	SQMHUWPQFVUMEQ-GFCCVEGCSA-N	1	1	277.433	3.208	10	10		CGCEMO
Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1C	ZINC000177641670	617961797	/nfs/dbraw/zinc/96/17/97/617961797.db2.gz	PVAOEKWFBIMWPO-ZDUSSCGKSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1cc(O)c(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc1C	ZINC000177641670	617961806	/nfs/dbraw/zinc/96/18/06/617961806.db2.gz	PVAOEKWFBIMWPO-ZDUSSCGKSA-N	1	1	293.407	3.171	10	10		CGCEMO
Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(C)cc(C)c1O	ZINC000164458206	622835778	/nfs/dbraw/zinc/83/57/78/622835778.db2.gz	IXVDHMZFBUOCIC-QGZVFWFLSA-N	1	1	299.418	3.179	10	10		CGCEMO
Oc1c(F)cccc1C[NH2+]CCc1ccccc1F	ZINC000083458587	178478373	/nfs/dbraw/zinc/47/83/73/178478373.db2.gz	HYKFHCMOWZCAEU-UHFFFAOYSA-N	1	1	263.287	3.003	10	10		CGCEMO
C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccc(F)cc1F	ZINC000035010748	171928149	/nfs/dbraw/zinc/92/81/49/171928149.db2.gz	CRNXBDFIZKGRCJ-VIFPVBQESA-N	1	1	279.286	3.227	10	10		CGCEMO
CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H]2CCC[C@H]21	ZINC000251178488	334357798	/nfs/dbraw/zinc/35/77/98/334357798.db2.gz	CTFDEKMHKQMAGD-FMKPAKJESA-N	1	1	261.365	3.097	10	10		CGCEMO
Cc1ccc(OC[C@H](C)[NH2+]Cc2cccc(F)c2O)cc1	ZINC000165032908	622854144	/nfs/dbraw/zinc/85/41/44/622854144.db2.gz	YHXGAQSWUPZAER-ZDUSSCGKSA-N	1	1	289.350	3.397	10	10		CGCEMO
C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(Cl)ccc1O	ZINC000251790173	640833887	/nfs/dbraw/zinc/83/38/87/640833887.db2.gz	NJOSWIMXSOIGLE-DOMZBBRYSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cc(Cl)ccc1O	ZINC000251790173	640833889	/nfs/dbraw/zinc/83/38/89/640833889.db2.gz	NJOSWIMXSOIGLE-DOMZBBRYSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cc(Cl)ccc1O	ZINC000251790173	640833891	/nfs/dbraw/zinc/83/38/91/640833891.db2.gz	NJOSWIMXSOIGLE-DOMZBBRYSA-N	1	1	294.826	3.104	10	10		CGCEMO
C[N@@H+](CCCCc1ccc(N)cc1)CCc1ccc(N)cc1	ZINC000584594755	346686982	/nfs/dbraw/zinc/68/69/82/346686982.db2.gz	XWRZIKOHRKLZKD-UHFFFAOYSA-N	1	1	297.446	3.348	10	10		CGCEMO
Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O	ZINC000176080513	373553799	/nfs/dbraw/zinc/55/37/99/373553799.db2.gz	SUFIIGROBAYWIT-KRWDZBQOSA-N	1	1	299.418	3.179	10	10		CGCEMO
COc1ccc(O)c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1	ZINC000246017021	376952582	/nfs/dbraw/zinc/95/25/82/376952582.db2.gz	ZRTSSQOKSFZBOJ-GDBMZVCRSA-N	1	1	293.432	3.261	10	10		CGCEMO
[NH3+][C@@H](CC(F)F)c1c(O)cc(Cl)cc1Cl	ZINC000575437733	377909919	/nfs/dbraw/zinc/90/99/19/377909919.db2.gz	RCQJEZJMBAKDQQ-LURJTMIESA-N	1	1	256.079	3.354	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]2CCCC[C@H]21	ZINC000228156040	623045069	/nfs/dbraw/zinc/04/50/69/623045069.db2.gz	XFTFNSZJTRBZRQ-HIFRSBDPSA-N	1	1	281.783	3.189	10	10		CGCEMO
Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2CCCC[C@H]21	ZINC000228156040	623045078	/nfs/dbraw/zinc/04/50/78/623045078.db2.gz	XFTFNSZJTRBZRQ-HIFRSBDPSA-N	1	1	281.783	3.189	10	10		CGCEMO