smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005445223	204131928	/nfs/dbraw/zinc/13/19/28/204131928.db2.gz	SIJFFLQFDFGZFV-GHNGSUTGSA-N	1	0	395.415	2.578	50	30		GFEARO
N#Cc1nccnc1NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000089779543	136175657	/nfs/dbraw/zinc/17/56/57/136175657.db2.gz	KYOYUBGCVDNAHW-UHFFFAOYSA-N	1	0	390.413	2.991	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH2+]Cc1cccc(OC)c1)C2	ZINC000019219957	519287848	/nfs/dbraw/zinc/28/78/48/519287848.db2.gz	FTSKIFQIIFEFDS-SFHVURJKSA-N	1	0	394.519	2.961	50	30		GFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102717071	521265482	/nfs/dbraw/zinc/26/54/82/521265482.db2.gz	UKDCVIWCFKMZDL-GHNGSUTGSA-N	1	0	384.432	2.662	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883439	524055760	/nfs/dbraw/zinc/05/57/60/524055760.db2.gz	CZIHLEWLTAOQNV-QGZVFWFLSA-N	1	0	399.403	2.718	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102718518	524169130	/nfs/dbraw/zinc/16/91/30/524169130.db2.gz	WZLGVBQNYIZNQV-GHNGSUTGSA-N	1	0	384.432	2.662	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1	ZINC000102747765	524296809	/nfs/dbraw/zinc/29/68/09/524296809.db2.gz	DADYYVJTAAEIQV-WOOAAIBNSA-N	1	0	398.434	2.818	50	30		GFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)c(C)n1	ZINC000013734507	527223712	/nfs/dbraw/zinc/22/37/12/527223712.db2.gz	JTOONUDICPAPOL-IBGZPJMESA-N	1	0	394.475	2.623	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CCC1=CCCCC1)C2	ZINC000014741393	527390476	/nfs/dbraw/zinc/39/04/76/527390476.db2.gz	SZZXNHNLNIWUNJ-LJQANCHMSA-N	1	0	398.551	2.879	50	30		GFEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020234091	570249444	/nfs/dbraw/zinc/24/94/44/570249444.db2.gz	FQZPJSHFKOROSU-LJQANCHMSA-N	1	0	396.443	2.984	50	30		GFEARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cc2ccccc2o1	ZINC000575621098	570370730	/nfs/dbraw/zinc/37/07/30/570370730.db2.gz	NMDONTUTGBJCRN-KRWDZBQOSA-N	1	0	376.416	2.662	50	30		GFEARO
CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1	ZINC000002393950	570482215	/nfs/dbraw/zinc/48/22/15/570482215.db2.gz	FVDICPYKECYOPI-IRXDYDNUSA-N	1	0	395.507	2.968	50	30		GFEARO
C=CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1	ZINC000534631866	570910293	/nfs/dbraw/zinc/91/02/93/570910293.db2.gz	DPSJXHOIBQCQTQ-MRXNPFEDSA-N	1	0	381.476	2.716	50	30		GFEARO
N#Cc1ccc(O[C@@H]2CCOC[C@H]2NC(=O)C2([NH+]3CCCC3)CCCC2)cc1	ZINC000220418325	571046513	/nfs/dbraw/zinc/04/65/13/571046513.db2.gz	ZUXRASOGPIMMOC-WOJBJXKFSA-N	1	0	383.492	2.619	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006787080	204205299	/nfs/dbraw/zinc/20/52/99/204205299.db2.gz	NPBNSIMGFFKPFP-GROYHEBESA-N	1	0	399.403	2.561	50	30		GFEARO
CSCCC[N@@H+]1CCN(C)C2(CCN(C(=O)c3cccc(C#N)c3)CC2)C1	ZINC000067786580	205259908	/nfs/dbraw/zinc/25/99/08/205259908.db2.gz	PBYLTDPCCQUZSR-UHFFFAOYSA-N	1	0	386.565	2.534	50	30		GFEARO
Cc1ccc(C2(O)CC[NH+](CCCC(=O)Nc3ccc(C#N)cc3)CC2)nc1	ZINC000067880457	205265699	/nfs/dbraw/zinc/26/56/99/205265699.db2.gz	GDEDKSHUGMZWGQ-UHFFFAOYSA-N	1	0	378.476	2.964	50	30		GFEARO
COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C#N)nc2)[C@H]2[C@@H]1[NH+]1CCC2CC1	ZINC000072157262	205314150	/nfs/dbraw/zinc/31/41/50/205314150.db2.gz	FAGAQFFOZVSRDV-KSEOMHKRSA-N	1	0	388.471	2.664	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)N[C@@H]2CCOc3ccc(Br)cc32)CC1	ZINC000058427563	518268181	/nfs/dbraw/zinc/26/81/81/518268181.db2.gz	LAIHMNHCOXGGIJ-MRXNPFEDSA-N	1	0	377.282	2.734	50	30		GFEARO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+]C(C)(C)CO)c1=O	ZINC000014992503	518652240	/nfs/dbraw/zinc/65/22/40/518652240.db2.gz	XDTCPSLCVFYBMV-UHFFFAOYSA-N	1	0	380.872	2.632	50	30		GFEARO
C=CC[N@@H+]1CCC[C@@H]1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1	ZINC000067755319	518860213	/nfs/dbraw/zinc/86/02/13/518860213.db2.gz	UGCYOVSGZPWISE-MRXNPFEDSA-N	1	0	381.432	2.605	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000102537275	520654649	/nfs/dbraw/zinc/65/46/49/520654649.db2.gz	AZYSCTCGEYKXHP-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@@H]1c1cccnc1	ZINC000020218951	520656604	/nfs/dbraw/zinc/65/66/04/520656604.db2.gz	VYCWQCPMQMCNTK-XTXLJPNXSA-N	1	0	395.459	2.994	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019788242	521755726	/nfs/dbraw/zinc/75/57/26/521755726.db2.gz	LQVAYIMSIZSHKH-SFHVURJKSA-N	1	0	395.415	2.735	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000019582253	524055009	/nfs/dbraw/zinc/05/50/09/524055009.db2.gz	VTFMQBNHQNYZNO-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
N#Cc1ccnc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1	ZINC000048252452	570226843	/nfs/dbraw/zinc/22/68/43/570226843.db2.gz	MHQAIZKHUBSBJI-UHFFFAOYSA-N	1	0	389.503	2.902	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CC1CCCCC1)C2	ZINC000014749221	570246178	/nfs/dbraw/zinc/24/61/78/570246178.db2.gz	AEGKJNCAEKDEMY-SFHVURJKSA-N	1	0	386.540	2.569	50	30		GFEARO
C=CCOc1c(I)cc(C[NH2+][C@H](CC)CO)cc1OC	ZINC000002863719	517336755	/nfs/dbraw/zinc/33/67/55/517336755.db2.gz	ZQMQANHRMSCUAH-GFCCVEGCSA-N	1	0	391.249	2.725	50	30		GFEARO
C=CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12	ZINC000035870705	518921477	/nfs/dbraw/zinc/92/14/77/518921477.db2.gz	JILCWPMGZFVNSI-FYYLOGMGSA-N	1	0	375.516	2.894	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CC[NH+](CC)CC1)C2	ZINC000023214948	519286286	/nfs/dbraw/zinc/28/62/86/519286286.db2.gz	SUXSMAXWYSFQQG-IBGZPJMESA-N	1	0	399.583	2.580	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	ZINC000102723316	520648431	/nfs/dbraw/zinc/64/84/31/520648431.db2.gz	MQNUDWUXLPPCEV-SELCWUDQSA-N	1	0	383.448	2.747	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000019883437	524054663	/nfs/dbraw/zinc/05/46/63/524054663.db2.gz	CZIHLEWLTAOQNV-KRWDZBQOSA-N	1	0	399.403	2.718	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccccc1	ZINC000013693224	524296878	/nfs/dbraw/zinc/29/68/78/524296878.db2.gz	XEFUBVGBUNRATF-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+][C@H](C)COC)c1=O	ZINC000012149465	570236041	/nfs/dbraw/zinc/23/60/41/570236041.db2.gz	GPVKCUIQXUJZIZ-CYBMUJFWSA-N	1	0	380.872	2.896	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000006812669	204211977	/nfs/dbraw/zinc/21/19/77/204211977.db2.gz	MUESMSRRHIYGAQ-HVESIFNPSA-N	1	0	399.403	2.561	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@H](CCO)C2)cc1	ZINC000036385667	519330074	/nfs/dbraw/zinc/33/00/74/519330074.db2.gz	UNWQKFBEZBYDFT-XMMPIXPASA-N	1	0	392.543	2.878	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	ZINC000013570952	520657083	/nfs/dbraw/zinc/65/70/83/520657083.db2.gz	VKSWPPVVKGCPDD-SFHVURJKSA-N	1	0	383.448	2.903	50	30		GFEARO
Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)c2ccccc21	ZINC000102750697	521754966	/nfs/dbraw/zinc/75/49/66/521754966.db2.gz	YXOAWKHUHBATCV-WOOAAIBNSA-N	1	0	393.443	2.755	50	30		GFEARO
COCCNC(=O)CCC1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000011878910	570234014	/nfs/dbraw/zinc/23/40/14/570234014.db2.gz	HZMDRLGXUNYAOE-UHFFFAOYSA-N	1	0	392.565	2.625	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]CC1CCCCC1)C2	ZINC000014749222	570246107	/nfs/dbraw/zinc/24/61/07/570246107.db2.gz	AEGKJNCAEKDEMY-GOSISDBHSA-N	1	0	386.540	2.569	50	30		GFEARO
COc1cccc([C@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)[NH+](C)C)c1	ZINC000029256748	570470845	/nfs/dbraw/zinc/47/08/45/570470845.db2.gz	JWSLUIMDVKQZLL-NRFANRHFSA-N	1	0	397.523	2.774	50	30		GFEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C[C@H]12	ZINC000061997755	570553789	/nfs/dbraw/zinc/55/37/89/570553789.db2.gz	XYKSVNDXUQWESH-MTSAVCEVSA-N	1	0	396.535	2.913	50	30		GFEARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccccc2C#N)CC1	ZINC000003553094	204012348	/nfs/dbraw/zinc/01/23/48/204012348.db2.gz	WOKCBWMGELREFI-UHFFFAOYSA-N	1	0	384.867	2.981	50	30		GFEARO
Cc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2c[n+](CC(N)=O)ccn21	ZINC000004763297	204074333	/nfs/dbraw/zinc/07/43/33/204074333.db2.gz	HZSOYONBXVOHKH-UHFFFAOYSA-O	1	0	388.451	2.840	50	30		GFEARO
C=C(C)C(=O)OC[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1	ZINC000004200149	518586451	/nfs/dbraw/zinc/58/64/51/518586451.db2.gz	OYTNSLHNPSBHKM-JOCHJYFZSA-N	1	0	390.500	2.761	50	30		GFEARO
C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000004057451	519147232	/nfs/dbraw/zinc/14/72/32/519147232.db2.gz	KGKOYEOMROTYLZ-NRFANRHFSA-N	1	0	382.504	2.986	50	30		GFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102865291	521234064	/nfs/dbraw/zinc/23/40/64/521234064.db2.gz	JPDKIXVRMPSIBZ-LFVOPCPISA-N	1	0	398.459	2.970	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000013570402	525224192	/nfs/dbraw/zinc/22/41/92/525224192.db2.gz	UFNJKDSMTQEBLS-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)s1	ZINC000102537909	526688057	/nfs/dbraw/zinc/68/80/57/526688057.db2.gz	HVTQUFCJWXLBQN-DPEHCCBOSA-N	1	0	389.477	2.726	50	30		GFEARO
C=CCn1c(SCc2ccc(C(=O)N(C)C)o2)nnc1C1CC[NH2+]CC1	ZINC000426722421	527342765	/nfs/dbraw/zinc/34/27/65/527342765.db2.gz	JVBLAWLHUTZHBF-UHFFFAOYSA-N	1	0	375.498	2.518	50	30		GFEARO
C=CCOc1c(Cl)cc(C[NH2+]CCCSc2nnnn2C)cc1OC	ZINC000007540504	551100893	/nfs/dbraw/zinc/10/08/93/551100893.db2.gz	RZWBNDWQUVSHMN-UHFFFAOYSA-N	1	0	383.905	2.709	50	30		GFEARO
C=C(Br)CNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1	ZINC000106530281	551199893	/nfs/dbraw/zinc/19/98/93/551199893.db2.gz	IUDZSXVAMZLXQU-QGZVFWFLSA-N	1	0	395.345	2.573	50	30		GFEARO
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)o1	ZINC000006813306	570617132	/nfs/dbraw/zinc/61/71/32/570617132.db2.gz	LZKLTZYYBDENPY-IDTYTIONSA-N	1	0	389.477	2.645	50	30		GFEARO
C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(-c2cccnc2C#N)c1	ZINC000299769690	206189196	/nfs/dbraw/zinc/18/91/96/206189196.db2.gz	PIMNEDWLUKRRSY-LJQANCHMSA-N	1	0	378.476	2.803	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)s1	ZINC000013161814	526688270	/nfs/dbraw/zinc/68/82/70/526688270.db2.gz	BCUHKONEMCTGBS-OAHLLOKOSA-N	1	0	389.477	2.883	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)s1	ZINC000004312586	526690032	/nfs/dbraw/zinc/69/00/32/526690032.db2.gz	ZXGJKTISIAVQPF-CQSZACIVSA-N	1	0	391.518	2.961	50	30		GFEARO
Cc1c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C#N)n1C	ZINC000121867765	570380961	/nfs/dbraw/zinc/38/09/61/570380961.db2.gz	IEHSUUKHFDAQKJ-IYBDPMFKSA-N	1	0	380.492	2.744	50	30		GFEARO
COc1ccc(C(=O)C[n+]2ccc(-c3ccc(OC)c(OC)c3)nc2)cc1OC	ZINC000006247726	570473835	/nfs/dbraw/zinc/47/38/35/570473835.db2.gz	DOGCTQMBCDFIIM-UHFFFAOYSA-N	1	0	395.435	2.953	50	30		GFEARO
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000012440357	570676554	/nfs/dbraw/zinc/67/65/54/570676554.db2.gz	KUONBJJBDBCCIP-GOSISDBHSA-N	1	0	382.504	2.729	50	30		GFEARO
C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000006812693	204211340	/nfs/dbraw/zinc/21/13/40/204211340.db2.gz	JDBCZLWXKGEKTG-LFVOPCPISA-N	1	0	396.443	2.828	50	30		GFEARO
CC(C)C[N@H+](C)CCN1CC2(CCN(Cc3ccccc3C#N)CC2)OC1=O	ZINC000072424617	205349396	/nfs/dbraw/zinc/34/93/96/205349396.db2.gz	XGUCXDIEUCXWCO-UHFFFAOYSA-N	1	0	384.524	2.933	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000102502892	520652091	/nfs/dbraw/zinc/65/20/91/520652091.db2.gz	HUNNGUWFTCZGSZ-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170272	521699537	/nfs/dbraw/zinc/69/95/37/521699537.db2.gz	UODKSPKTMRKXJN-AVRDEDQJSA-N	1	0	385.556	2.992	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000013725554	521755664	/nfs/dbraw/zinc/75/56/64/521755664.db2.gz	QDFVXMCOOYIMOW-IBGZPJMESA-N	1	0	390.443	2.703	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1	ZINC000019582265	523553700	/nfs/dbraw/zinc/55/37/00/523553700.db2.gz	DVHVHJOAURCWFY-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102734035	524106452	/nfs/dbraw/zinc/10/64/52/524106452.db2.gz	UZWYTCVKJOGHBI-LFVOPCPISA-N	1	0	398.459	2.970	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020057866	524111200	/nfs/dbraw/zinc/11/12/00/524111200.db2.gz	YFIXPXGTXAMYNI-QGZVFWFLSA-N	1	0	386.473	2.897	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)cc1	ZINC000004041244	526021499	/nfs/dbraw/zinc/02/14/99/526021499.db2.gz	HDCIACRHTATPHR-IBGZPJMESA-N	1	0	379.460	2.920	50	30		GFEARO
C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(C[NH2+][C@@H](C)COC)c1=O	ZINC000012149466	570235685	/nfs/dbraw/zinc/23/56/85/570235685.db2.gz	GPVKCUIQXUJZIZ-ZDUSSCGKSA-N	1	0	380.872	2.896	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1cccnc1)C2	ZINC000014531029	570245003	/nfs/dbraw/zinc/24/50/03/570245003.db2.gz	KNIQFUCQWVQPLF-GOSISDBHSA-N	1	0	379.508	2.737	50	30		GFEARO
C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147250	570549231	/nfs/dbraw/zinc/54/92/31/570549231.db2.gz	XKZRZKTZRYBWCU-YADHBBJMSA-N	1	0	396.462	2.832	50	30		GFEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C[C@@H]12	ZINC000061997756	570553824	/nfs/dbraw/zinc/55/38/24/570553824.db2.gz	XYKSVNDXUQWESH-WNPAHNIUSA-N	1	0	396.535	2.913	50	30		GFEARO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000012528472	570833211	/nfs/dbraw/zinc/83/32/11/570833211.db2.gz	TYMYNMIHHIMPRS-HOTGVXAUSA-N	1	0	381.480	2.508	50	30		GFEARO
COc1cccc([C@@H]2CN(C(=O)c3ccc(C#N)nc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1	ZINC000072133520	205308847	/nfs/dbraw/zinc/30/88/47/205308847.db2.gz	ZXVPGWAYJRWOGT-BHDDXSALSA-N	1	0	388.471	2.664	50	30		GFEARO
COc1nccc(-c2cccc(C(=O)N3[C@@H]4CC[C@H]3C[N@H+](C)CC4)c2)c1C#N	ZINC000299763520	206186597	/nfs/dbraw/zinc/18/65/97/206186597.db2.gz	XJPNSTXTJKQKJK-MSOLQXFVSA-N	1	0	376.460	2.938	50	30		GFEARO
Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1	ZINC000071760852	136166251	/nfs/dbraw/zinc/16/62/51/136166251.db2.gz	VPDOWQDJBNMQQE-IBGZPJMESA-N	1	0	381.524	2.565	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1F	ZINC000102749795	523374646	/nfs/dbraw/zinc/37/46/46/523374646.db2.gz	VQLUWBJTCRVHQL-LFVOPCPISA-N	1	0	398.434	2.818	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020057865	524173894	/nfs/dbraw/zinc/17/38/94/524173894.db2.gz	YFIXPXGTXAMYNI-KRWDZBQOSA-N	1	0	386.473	2.897	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102934836	525214870	/nfs/dbraw/zinc/21/48/70/525214870.db2.gz	GSSMFZGFAAQQHS-YDJIHCHBSA-N	1	0	394.471	2.987	50	30		GFEARO
COCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3nc(C)cc(C)c3C#N)cc2)C1	ZINC000426707291	231254448	/nfs/dbraw/zinc/25/44/48/231254448.db2.gz	XIEKKMBXAUGNAH-GOSISDBHSA-N	1	0	392.503	2.935	50	30		GFEARO
Cc1ccccc1CNC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1	ZINC000039935293	207334355	/nfs/dbraw/zinc/33/43/55/207334355.db2.gz	AIWMYLZJCVRAIO-UHFFFAOYSA-N	1	0	376.504	2.691	50	30		GFEARO
N#Cc1c(N)nc2c(c1N)c(=[NH2+])sc1c2[C@H](c2ccccc2Cl)CC(=O)N1	ZINC000100932092	208383431	/nfs/dbraw/zinc/38/34/31/208383431.db2.gz	IABMISNOPMLJAR-QMMMGPOBSA-N	1	0	396.863	2.939	50	30		GFEARO
Cc1cc(C#N)c(N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)nc1C	ZINC000091364701	136176291	/nfs/dbraw/zinc/17/62/91/136176291.db2.gz	ACQLPIIAELMPMG-UHFFFAOYSA-N	1	0	383.540	2.731	50	30		GFEARO
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(C)ccc1C#N)C2	ZINC000095364194	136178257	/nfs/dbraw/zinc/17/82/57/136178257.db2.gz	ZEJRKSOEVMBBFR-SJBKTWHCSA-N	1	0	384.524	2.606	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)s1	ZINC000020998131	519329238	/nfs/dbraw/zinc/32/92/38/519329238.db2.gz	RBKVGBLUZIJCPA-KRWDZBQOSA-N	1	0	378.582	2.785	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccn2)cc1C	ZINC000017057362	523558068	/nfs/dbraw/zinc/55/80/68/523558068.db2.gz	ACHAWQBFPICZPO-LJQANCHMSA-N	1	0	395.459	2.539	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000006160681	524054794	/nfs/dbraw/zinc/05/47/94/524054794.db2.gz	VBZKQQBBKOHNLM-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013570554	524174049	/nfs/dbraw/zinc/17/40/49/524174049.db2.gz	SBTUHSVXTPDLMV-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000018063120	525390951	/nfs/dbraw/zinc/39/09/51/525390951.db2.gz	XDORZHMSUPGPDO-IBGZPJMESA-N	1	0	380.444	2.835	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)c1	ZINC000020227556	525783544	/nfs/dbraw/zinc/78/35/44/525783544.db2.gz	DEPOCNMREGHSDL-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccccn1)C2	ZINC000014537029	570244892	/nfs/dbraw/zinc/24/48/92/570244892.db2.gz	FOVSOXHJOWWRPD-LJQANCHMSA-N	1	0	393.535	2.780	50	30		GFEARO
C#Cc1ccc(CN2CCN(Cc3ccc(OC)cc3F)[C@H](CCO)C2)cc1	ZINC000104425873	570258580	/nfs/dbraw/zinc/25/85/80/570258580.db2.gz	WIDRSGSYYJIVGQ-OAQYLSRUSA-N	1	0	382.479	2.884	50	30		GFEARO
COC(=O)[C@]12O[C@]13C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@@]3(C)OC2=O	ZINC000169683508	570615091	/nfs/dbraw/zinc/61/50/91/570615091.db2.gz	DHGLVUTYAZQSJK-OUFMZXHOSA-N	1	0	393.439	2.630	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCCOCC)C2	ZINC000014740877	206246641	/nfs/dbraw/zinc/24/66/41/206246641.db2.gz	MQOWNMCNAJSYCZ-SFHVURJKSA-N	1	0	388.556	2.959	50	30		GFEARO
C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1	ZINC000014748319	206247027	/nfs/dbraw/zinc/24/70/27/206247027.db2.gz	KISCTZYPCBWGSC-SFHVURJKSA-N	1	0	388.556	2.767	50	30		GFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)C[NH2+]Cc3ccccc3)c2c1C#N	ZINC000005051101	206586959	/nfs/dbraw/zinc/58/69/59/206586959.db2.gz	CNCNFFUSAODZCT-GOSISDBHSA-N	1	0	386.455	2.585	50	30		GFEARO
Cn1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cc1C#N	ZINC000095391692	208179050	/nfs/dbraw/zinc/17/90/50/208179050.db2.gz	MJXADJRFDCVVFJ-WWPVKYPJSA-N	1	0	390.487	2.688	50	30		GFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020057568	521237901	/nfs/dbraw/zinc/23/79/01/521237901.db2.gz	GWSUPQPGPWUMFC-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)cc1C	ZINC000000922295	523560989	/nfs/dbraw/zinc/56/09/89/523560989.db2.gz	OXRWIEYRVGFINH-IBGZPJMESA-N	1	0	395.459	2.539	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000005445164	524054162	/nfs/dbraw/zinc/05/41/62/524054162.db2.gz	BFXKCBCZXXGXTQ-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1	ZINC000013693223	524296544	/nfs/dbraw/zinc/29/65/44/524296544.db2.gz	XEFUBVGBUNRATF-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccccc1	ZINC000102747761	524296977	/nfs/dbraw/zinc/29/69/77/524296977.db2.gz	DADYYVJTAAEIQV-LFVOPCPISA-N	1	0	398.434	2.818	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1	ZINC000004311386	526021884	/nfs/dbraw/zinc/02/18/84/526021884.db2.gz	NIKFOIDCPAASLX-IBGZPJMESA-N	1	0	379.460	2.920	50	30		GFEARO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)s1	ZINC000012595271	570238160	/nfs/dbraw/zinc/23/81/60/570238160.db2.gz	VIJKBKVQADRIEP-QGZVFWFLSA-N	1	0	397.544	2.908	50	30		GFEARO
Cc1c(C[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc(C#N)n1C	ZINC000121867922	570380994	/nfs/dbraw/zinc/38/09/94/570380994.db2.gz	IEHSUUKHFDAQKJ-HZPDHXFCSA-N	1	0	380.492	2.744	50	30		GFEARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cccs1	ZINC000023106609	570905171	/nfs/dbraw/zinc/90/51/71/570905171.db2.gz	MHCXTKDDXNAFLF-CQSZACIVSA-N	1	0	376.869	2.631	50	30		GFEARO
C=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1	ZINC000534653007	570914661	/nfs/dbraw/zinc/91/46/61/570914661.db2.gz	AXMVBXMNSAPIFV-HNNXBMFYSA-N	1	0	375.476	2.880	50	30		GFEARO
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@@H]3COCC[N@@H+](C)C3)c2)n1	ZINC000426496692	231230500	/nfs/dbraw/zinc/23/05/00/231230500.db2.gz	NJSGEINDBLOOKN-KRWDZBQOSA-N	1	0	378.476	2.545	50	30		GFEARO
Cc1cc(C)cc(N2CCC([NH+]3CCN(c4nccnc4C#N)CC3)CC2)c1	ZINC000065397114	136163873	/nfs/dbraw/zinc/16/38/73/136163873.db2.gz	SMNBZQSOIDNKDL-UHFFFAOYSA-N	1	0	376.508	2.756	50	30		GFEARO
C[N@H+](CC#CCNC(=O)C1(c2ccccc2)CCOCC1)Cc1ccccc1	ZINC000085470635	222324233	/nfs/dbraw/zinc/32/42/33/222324233.db2.gz	SHPAAWMTTOSYDT-UHFFFAOYSA-N	1	0	376.500	2.986	50	30		GFEARO
C=CCN1CC[C@]2(CN(Cc3ccc(OC)cc3F)CC[N@@H+]2C)CCC1=O	ZINC000092045934	518869280	/nfs/dbraw/zinc/86/92/80/518869280.db2.gz	OWAFMIZIAUAUQA-NRFANRHFSA-N	1	0	375.488	2.519	50	30		GFEARO
CCOc1cc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCC[NH+](CC)CC)ccc1O	ZINC000020035665	520783479	/nfs/dbraw/zinc/78/34/79/520783479.db2.gz	WOKSQNGUBUQEBM-IBGZPJMESA-N	1	0	390.480	2.807	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102733418	524169038	/nfs/dbraw/zinc/16/90/38/524169038.db2.gz	XEYOYIRIPSHBMS-NHFXJNLRSA-N	1	0	394.471	2.987	50	30		GFEARO
COc1ccccc1[C@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000020219578	524805836	/nfs/dbraw/zinc/80/58/36/524805836.db2.gz	MEKQVYINPRXTEY-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccccn1	ZINC000006243547	570347911	/nfs/dbraw/zinc/34/79/11/570347911.db2.gz	DKMBLFZYOFIIQO-GROYHEBESA-N	1	0	385.489	2.907	50	30		GFEARO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147099	570548982	/nfs/dbraw/zinc/54/89/82/570548982.db2.gz	YHPMCVKCNGDSPW-YADHBBJMSA-N	1	0	396.462	2.832	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1	ZINC000005409141	570586483	/nfs/dbraw/zinc/58/64/83/570586483.db2.gz	OJRHFMQCRIWYRG-GHNGSUTGSA-N	1	0	384.432	2.580	50	30		GFEARO
N#CC1(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)CCOCC1	ZINC000091350701	571003939	/nfs/dbraw/zinc/00/39/39/571003939.db2.gz	BNIUOWWPSXQGMW-LEWJYISDSA-N	1	0	381.520	2.862	50	30		GFEARO
Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1	ZINC000014520890	207022221	/nfs/dbraw/zinc/02/22/21/207022221.db2.gz	NRYDHVFZBFVTKE-UHFFFAOYSA-N	1	0	390.447	2.650	50	30		GFEARO
C=CCCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000014967703	518693146	/nfs/dbraw/zinc/69/31/46/518693146.db2.gz	ZWNRAFJQMAQFFE-FQEVSTJZSA-N	1	0	383.536	2.972	50	30		GFEARO
C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc(C(=O)NC(C)C)nn2)C1	ZINC000014993475	519071269	/nfs/dbraw/zinc/07/12/69/519071269.db2.gz	NVEZXYOUVXFJKM-GOSISDBHSA-N	1	0	383.496	2.818	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cc1	ZINC000019770654	519329993	/nfs/dbraw/zinc/32/99/93/519329993.db2.gz	BIEUQUIBKMKDGQ-NRFANRHFSA-N	1	0	398.572	2.939	50	30		GFEARO
CC(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Br)cc1	ZINC000019831217	519368276	/nfs/dbraw/zinc/36/82/76/519368276.db2.gz	ZKHHTZOWEPAJDF-HNNXBMFYSA-N	1	0	381.270	2.685	50	30		GFEARO
CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC(C#N)CC2)ccc1OC	ZINC000095511026	520738036	/nfs/dbraw/zinc/73/80/36/520738036.db2.gz	MLNKJKSFTTXTGX-IBGZPJMESA-N	1	0	375.513	2.512	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1	ZINC000005445212	523375400	/nfs/dbraw/zinc/37/54/00/523375400.db2.gz	QQTRTHCRPWLWBU-WOOAAIBNSA-N	1	0	398.434	2.818	50	30		GFEARO
COc1ccc(C(=O)C[n+]2ccc(C(=O)NCc3ccccc3)cc2)cc1OC	ZINC000003079010	523593947	/nfs/dbraw/zinc/59/39/47/523593947.db2.gz	JALZNGLJHPREDJ-UHFFFAOYSA-O	1	0	391.447	2.804	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000018086729	525221057	/nfs/dbraw/zinc/22/10/57/525221057.db2.gz	XVGQQHGKOOXVFC-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
[NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000004899369	570358797	/nfs/dbraw/zinc/35/87/97/570358797.db2.gz	PTLYCCHHSMEBFB-UHFFFAOYSA-N	1	0	378.728	2.828	50	30		GFEARO
COc1cc([N+](=O)[O-])ccc1NC(=O)C[n+]1ccc(C(=O)c2ccccc2)cc1	ZINC000005156628	570436695	/nfs/dbraw/zinc/43/66/95/570436695.db2.gz	HANHQWKMIAPCHJ-UHFFFAOYSA-O	1	0	392.391	2.761	50	30		GFEARO
N#CC1(NC(=O)CN2CC[NH+](Cc3cccc4ccccc43)CC2)CCCC1	ZINC000022803504	570549989	/nfs/dbraw/zinc/54/99/89/570549989.db2.gz	RHMLUKOTEDZTOI-UHFFFAOYSA-N	1	0	376.504	2.910	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1	ZINC000006812688	570617114	/nfs/dbraw/zinc/61/71/14/570617114.db2.gz	DYEFGEWSZWVNCV-LFVOPCPISA-N	1	0	391.427	2.811	50	30		GFEARO
C=CCn1ncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2c(C)noc2C)c1C	ZINC000095517102	570996058	/nfs/dbraw/zinc/99/60/58/570996058.db2.gz	GQKFDFWNTWVOMI-PKOBYXMFSA-N	1	0	383.496	2.605	50	30		GFEARO
C[NH+](C)CCCN1CCN(C(=O)c2cccc(-c3cccc(C#N)c3)c2)CC1	ZINC000426548362	231239461	/nfs/dbraw/zinc/23/94/61/231239461.db2.gz	ARWKUAHCSBLVGZ-UHFFFAOYSA-N	1	0	376.504	2.935	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCSC)C2	ZINC000014749103	206246957	/nfs/dbraw/zinc/24/69/57/206246957.db2.gz	UCMFGRAPHPYPRV-MRXNPFEDSA-N	1	0	376.570	2.895	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH+]1CCSCC1)C2	ZINC000014749312	206246979	/nfs/dbraw/zinc/24/69/79/206246979.db2.gz	HUNWGCOEBLWOSP-QGZVFWFLSA-N	1	0	388.581	2.991	50	30		GFEARO
C=CCCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCc3ccccc3)C2)CC1	ZINC000014967699	518691707	/nfs/dbraw/zinc/69/17/07/518691707.db2.gz	ZWNRAFJQMAQFFE-HXUWFJFHSA-N	1	0	383.536	2.972	50	30		GFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020057566	521268988	/nfs/dbraw/zinc/26/89/88/521268988.db2.gz	GWSUPQPGPWUMFC-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
COc1cc(CN2CCC(C#N)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000095509902	522366697	/nfs/dbraw/zinc/36/66/97/522366697.db2.gz	BAQPAASEASCOEQ-IBGZPJMESA-N	1	0	375.513	2.511	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)cc1	ZINC000004041245	526021479	/nfs/dbraw/zinc/02/14/79/526021479.db2.gz	HDCIACRHTATPHR-LJQANCHMSA-N	1	0	379.460	2.920	50	30		GFEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccs1	ZINC000013722167	526483613	/nfs/dbraw/zinc/48/36/13/526483613.db2.gz	OKNJNQCAKKYWNB-MRXNPFEDSA-N	1	0	388.493	2.618	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)s1	ZINC000102495798	526688559	/nfs/dbraw/zinc/68/85/59/526688559.db2.gz	OITVDNSCBAKKHC-SXWSKBOKSA-N	1	0	391.518	2.805	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccccn1)C2	ZINC000014537028	570244691	/nfs/dbraw/zinc/24/46/91/570244691.db2.gz	FOVSOXHJOWWRPD-IBGZPJMESA-N	1	0	393.535	2.780	50	30		GFEARO
C#CCOC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1	ZINC000036096041	570535600	/nfs/dbraw/zinc/53/56/00/570535600.db2.gz	FCVUBGQDMGMNEM-HXUWFJFHSA-N	1	0	387.451	2.856	50	30		GFEARO
C=CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccc4[nH]nc(N)c4c3)c2)C1	ZINC000534653008	570914757	/nfs/dbraw/zinc/91/47/57/570914757.db2.gz	AXMVBXMNSAPIFV-OAHLLOKOSA-N	1	0	375.476	2.880	50	30		GFEARO
N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1	ZINC000082146499	208083698	/nfs/dbraw/zinc/08/36/98/208083698.db2.gz	GWSSHLGDLAIIAH-QFIPXVFZSA-N	1	0	377.492	2.729	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000006785353	520653381	/nfs/dbraw/zinc/65/33/81/520653381.db2.gz	GOSSHUNXDNSCCC-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000019789092	521755223	/nfs/dbraw/zinc/75/52/23/521755223.db2.gz	FLGMCHMUMMPENU-SFHVURJKSA-N	1	0	395.415	2.735	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)cc1C	ZINC000000922302	523556532	/nfs/dbraw/zinc/55/65/32/523556532.db2.gz	OXRWIEYRVGFINH-LJQANCHMSA-N	1	0	395.459	2.539	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008914273	524108132	/nfs/dbraw/zinc/10/81/32/524108132.db2.gz	UXRVEIZOMJYQFR-GOSISDBHSA-N	1	0	384.432	2.737	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)c1	ZINC000020219609	525782561	/nfs/dbraw/zinc/78/25/61/525782561.db2.gz	GJQBCINFKDRJJZ-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
C#CCn1c2cc(OC)ccc2cc(C[NH2+]CCc2ccccc2OC)c1=O	ZINC000011965124	570234677	/nfs/dbraw/zinc/23/46/77/570234677.db2.gz	DSHOSKLAXOULDZ-UHFFFAOYSA-N	1	0	376.456	2.984	50	30		GFEARO
COc1ccc(C[N@@H+]2CCN(CC#Cc3ccccc3)C[C@H]2CCO)cc1C	ZINC000104394442	570257791	/nfs/dbraw/zinc/25/77/91/570257791.db2.gz	NMIRJINEXSUNDP-HSZRJFAPSA-N	1	0	378.516	2.924	50	30		GFEARO
Cc1cccc[n+]1CC(=O)c1ccc(I)c([N+](=O)[O-])c1	ZINC000023375008	570358557	/nfs/dbraw/zinc/35/85/57/570358557.db2.gz	HJGYWZBVPMDJGF-UHFFFAOYSA-N	1	0	383.165	2.678	50	30		GFEARO
C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147255	570549602	/nfs/dbraw/zinc/54/96/02/570549602.db2.gz	XKZRZKTZRYBWCU-VXKWHMMOSA-N	1	0	396.462	2.832	50	30		GFEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000006812714	570617142	/nfs/dbraw/zinc/61/71/42/570617142.db2.gz	SZOYUCNMSUCPFF-WOOAAIBNSA-N	1	0	396.443	2.828	50	30		GFEARO
C=CC[NH+](CC=C)[C@@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C	ZINC000023030491	570885345	/nfs/dbraw/zinc/88/53/45/570885345.db2.gz	LIAZHSORYPNPTC-SFHVURJKSA-N	1	0	396.513	2.613	50	30		GFEARO
CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1cccc(C#N)c1	ZINC000046035700	571015026	/nfs/dbraw/zinc/01/50/26/571015026.db2.gz	VANVSSZPJOBISC-UHFFFAOYSA-N	1	0	387.505	2.757	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]C1CCCCCC1)C2	ZINC000014533157	206247206	/nfs/dbraw/zinc/24/72/06/206247206.db2.gz	BUBUAALAMSDPGR-SFHVURJKSA-N	1	0	386.540	2.711	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCCOC(C)C)C2	ZINC000014537020	206247461	/nfs/dbraw/zinc/24/74/61/206247461.db2.gz	VWVPVBUNMKJIKL-SFHVURJKSA-N	1	0	388.556	2.957	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccncc1	ZINC000020150189	207180634	/nfs/dbraw/zinc/18/06/34/207180634.db2.gz	LJEKJWMUBDPIMI-LJQANCHMSA-N	1	0	391.427	2.968	50	30		GFEARO
COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cc(C#N)cn2C)C1	ZINC000095509020	208210780	/nfs/dbraw/zinc/21/07/80/208210780.db2.gz	YSCOQYWYVUNQMS-GOSISDBHSA-N	1	0	394.519	2.932	50	30		GFEARO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ncnc4sccc43)CC2)cc1	ZINC000123893543	136192468	/nfs/dbraw/zinc/19/24/68/136192468.db2.gz	BWMQLGJFDPYDQS-UHFFFAOYSA-N	1	0	392.488	2.714	50	30		GFEARO
Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)c2ccccc21	ZINC000102750700	521755385	/nfs/dbraw/zinc/75/53/85/521755385.db2.gz	YXOAWKHUHBATCV-LFVOPCPISA-N	1	0	393.443	2.755	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000102930480	521755441	/nfs/dbraw/zinc/75/54/41/521755441.db2.gz	XREGWRJQRNLUAU-GROYHEBESA-N	1	0	385.851	2.718	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)c(C)c1	ZINC000018142367	523556346	/nfs/dbraw/zinc/55/63/46/523556346.db2.gz	FQLOTYDAKXOXLS-LJQANCHMSA-N	1	0	395.459	2.539	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000019938510	524054935	/nfs/dbraw/zinc/05/49/35/524054935.db2.gz	ZGKQQCHFZNIMHW-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1ccccc1[C@@H]1C(C(=O)c2ccncc2)=C(O)C(=O)N1CCC[NH+](C)C	ZINC000020219579	524745735	/nfs/dbraw/zinc/74/57/35/524745735.db2.gz	MEKQVYINPRXTEY-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102929424	525382352	/nfs/dbraw/zinc/38/23/52/525382352.db2.gz	DVMLYHAPRGDUKK-WOOAAIBNSA-N	1	0	380.444	2.679	50	30		GFEARO
O=C([C@@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1	ZINC000096309722	526474562	/nfs/dbraw/zinc/47/45/62/526474562.db2.gz	XEEKLAVPNUZUDK-KRWDZBQOSA-N	1	0	383.496	2.800	50	30		GFEARO
Cc1ncc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccc2)c(C)n1	ZINC000013734510	527223022	/nfs/dbraw/zinc/22/30/22/527223022.db2.gz	JTOONUDICPAPOL-LJQANCHMSA-N	1	0	394.475	2.623	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccnc1	ZINC000013686154	570667963	/nfs/dbraw/zinc/66/79/63/570667963.db2.gz	OWYQVDIWYFGDMY-LJQANCHMSA-N	1	0	390.443	2.703	50	30		GFEARO
N#Cc1cccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403937	570683120	/nfs/dbraw/zinc/68/31/20/570683120.db2.gz	LDRYBVOSBKZOON-NRFANRHFSA-N	1	0	380.536	2.857	50	30		GFEARO
N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415628	570692648	/nfs/dbraw/zinc/69/26/48/570692648.db2.gz	QBMCAAVQXDNPDM-OAQYLSRUSA-N	1	0	380.536	2.857	50	30		GFEARO
N#Cc1ccccc1CN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1	ZINC000071440011	570698939	/nfs/dbraw/zinc/69/89/39/570698939.db2.gz	GJLIZEKFOXOIFU-NRFANRHFSA-N	1	0	380.536	2.857	50	30		GFEARO
COC(=O)[C@]12O[C@]13C[C@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@]3(C)OC2=O	ZINC000252599241	571004647	/nfs/dbraw/zinc/00/46/47/571004647.db2.gz	DHGLVUTYAZQSJK-HGSOSGBHSA-N	1	0	393.439	2.630	50	30		GFEARO
CNC(=O)c1[nH]cnc1NC(=NC1CC(C)(C)[NH2+]C(C)(C)C1)Nc1ccccc1	ZINC000004635258	209121583	/nfs/dbraw/zinc/12/15/83/209121583.db2.gz	YAWSBZGBFMWVIM-UHFFFAOYSA-N	1	0	397.527	2.768	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000020219597	207183833	/nfs/dbraw/zinc/18/38/33/207183833.db2.gz	NFDZRXCIUUWWFN-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1	ZINC000029859016	207367241	/nfs/dbraw/zinc/36/72/41/207367241.db2.gz	USUQYSUUOLHXNO-UHFFFAOYSA-N	1	0	378.451	2.799	50	30		GFEARO
C=CCC1(OC)CC[NH+](C[C@]2(O)CCCN(CCc3ccccc3)C2=O)CC1	ZINC000067841014	518689498	/nfs/dbraw/zinc/68/94/98/518689498.db2.gz	UMJPZISIYPTXNR-HSZRJFAPSA-N	1	0	386.536	2.640	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000102752165	521754929	/nfs/dbraw/zinc/75/49/29/521754929.db2.gz	NRDIABWCMVPARF-GHNGSUTGSA-N	1	0	379.416	2.744	50	30		GFEARO
COc1cc(CN2CCC(C#N)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000095509903	522366161	/nfs/dbraw/zinc/36/61/61/522366161.db2.gz	BAQPAASEASCOEQ-LJQANCHMSA-N	1	0	375.513	2.511	50	30		GFEARO
COc1cc(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cc(OC)c1	ZINC000002647373	522672567	/nfs/dbraw/zinc/67/25/67/522672567.db2.gz	REMOMSQKDFOMJN-UHFFFAOYSA-O	1	0	377.420	2.861	50	30		GFEARO
Cc1c(C[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc(C#N)n1C	ZINC000121868057	570380983	/nfs/dbraw/zinc/38/09/83/570380983.db2.gz	IEHSUUKHFDAQKJ-HOTGVXAUSA-N	1	0	380.492	2.744	50	30		GFEARO
C=CCOc1c(Br)cc(C=NNC(N)=[NH2+])cc1Br	ZINC000006819950	570495918	/nfs/dbraw/zinc/49/59/18/570495918.db2.gz	NYDLSOSISSPKOY-OMCISZLKSA-N	1	0	376.052	2.593	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000005576864	570659481	/nfs/dbraw/zinc/65/94/81/570659481.db2.gz	SFDLJUURWIAPHX-SELCWUDQSA-N	1	0	386.398	2.948	50	30		GFEARO
N=c1n(CC[NH+]2CCCCC2)c2ccccc2n1N=Cc1ccc([N+](=O)[O-])o1	ZINC000252593848	571002895	/nfs/dbraw/zinc/00/28/95/571002895.db2.gz	BNCIJNWMEXNRRV-UHFFFAOYSA-N	1	0	382.424	2.792	50	30		GFEARO
N#Cc1cccnc1-c1cccc(C(=O)NCCCCC[NH+]2CCOCC2)c1	ZINC000426421146	231219194	/nfs/dbraw/zinc/21/91/94/231219194.db2.gz	LSABSRSUBGIGDA-UHFFFAOYSA-N	1	0	378.476	2.853	50	30		GFEARO
Cc1cc(C)c(C#N)c(-c2cccc(C(=O)NC[C@H]3COCC[N@@H+](C)C3)c2)n1	ZINC000426496693	231230386	/nfs/dbraw/zinc/23/03/86/231230386.db2.gz	NJSGEINDBLOOKN-QGZVFWFLSA-N	1	0	378.476	2.545	50	30		GFEARO
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000017859007	522919011	/nfs/dbraw/zinc/91/90/11/522919011.db2.gz	UQHBTPDLUOCCAY-LJQANCHMSA-N	1	0	396.443	2.541	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013131012	524171712	/nfs/dbraw/zinc/17/17/12/524171712.db2.gz	ZJYFSBKCUXHACP-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219548	525223986	/nfs/dbraw/zinc/22/39/86/525223986.db2.gz	XWGYRYZVLWVVGA-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102934833	525383044	/nfs/dbraw/zinc/38/30/44/525383044.db2.gz	GSSMFZGFAAQQHS-NHFXJNLRSA-N	1	0	394.471	2.987	50	30		GFEARO
C=CC[NH+](CC=C)[C@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1	ZINC000014538941	570244699	/nfs/dbraw/zinc/24/46/99/570244699.db2.gz	PWMUYPHMCIBIFE-SFHVURJKSA-N	1	0	379.508	2.759	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000006787089	570593114	/nfs/dbraw/zinc/59/31/14/570593114.db2.gz	MUESMSRRHIYGAQ-GROYHEBESA-N	1	0	399.403	2.561	50	30		GFEARO
C=CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12	ZINC000169680252	570600624	/nfs/dbraw/zinc/60/06/24/570600624.db2.gz	JILCWPMGZFVNSI-GGAORHGYSA-N	1	0	375.516	2.894	50	30		GFEARO
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681647	570601824	/nfs/dbraw/zinc/60/18/24/570601824.db2.gz	QYKFXDSEKMJJOS-QUCCMNQESA-N	1	0	384.480	2.503	50	30		GFEARO
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1cc(C)c(C#N)c(C)n1)C2	ZINC000095371915	136178500	/nfs/dbraw/zinc/17/85/00/136178500.db2.gz	YLSJKIYVOFKLBE-VIZSFHNOSA-N	1	0	398.551	2.914	50	30		GFEARO
CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019999638	521424916	/nfs/dbraw/zinc/42/49/16/521424916.db2.gz	IEGJDVJHLZBUKB-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2	ZINC000019880472	521759313	/nfs/dbraw/zinc/75/93/13/521759313.db2.gz	NMWLYUOVLGLMKL-LJQANCHMSA-N	1	0	394.427	2.555	50	30		GFEARO
C[N@H+](CC#CCNS(=O)(=O)c1ccc(F)c(Cl)c1)Cc1ccccc1	ZINC000090590669	522417122	/nfs/dbraw/zinc/41/71/22/522417122.db2.gz	XVIVGCZHYOTWFT-UHFFFAOYSA-N	1	0	380.872	2.893	50	30		GFEARO
COC(=O)C[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(O)cc1	ZINC000252461036	523362409	/nfs/dbraw/zinc/36/24/09/523362409.db2.gz	KBIDLBJTJNLXFN-CVDCTZTESA-O	1	0	386.468	2.869	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1C	ZINC000102925350	523373016	/nfs/dbraw/zinc/37/30/16/523373016.db2.gz	IHMGBYHNXDCTFZ-NHFXJNLRSA-N	1	0	394.471	2.987	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102734032	524169472	/nfs/dbraw/zinc/16/94/72/524169472.db2.gz	UZWYTCVKJOGHBI-WOOAAIBNSA-N	1	0	398.459	2.970	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019582792	524171892	/nfs/dbraw/zinc/17/18/92/524171892.db2.gz	RECOENDLZRKGEN-IBGZPJMESA-N	1	0	380.444	2.835	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)c1	ZINC000019973838	525782401	/nfs/dbraw/zinc/78/24/01/525782401.db2.gz	IQNWTXPZLCYXDC-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
C=CCn1c(CNC(=O)C2CCCCC2)nnc1SCC[NH+]1CCCC1	ZINC000299779560	570653176	/nfs/dbraw/zinc/65/31/76/570653176.db2.gz	UOLHXRMNXIZRSL-UHFFFAOYSA-N	1	0	377.558	2.849	50	30		GFEARO
N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)cc1	ZINC000011380571	570996370	/nfs/dbraw/zinc/99/63/70/570996370.db2.gz	ZSRBWJREXLRCII-UHFFFAOYSA-N	1	0	378.392	2.715	50	30		GFEARO
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCCC[NH+]1CCC(C)CC1	ZINC000012927900	210032724	/nfs/dbraw/zinc/03/27/24/210032724.db2.gz	UJIMSYONURGLGY-INIZCTEOSA-N	1	0	381.480	2.944	50	30		GFEARO
N#Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1	ZINC000092002141	211212359	/nfs/dbraw/zinc/21/23/59/211212359.db2.gz	LFAYEBORKOONGJ-QFIPXVFZSA-N	1	0	377.492	2.729	50	30		GFEARO
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000019789024	521757413	/nfs/dbraw/zinc/75/74/13/521757413.db2.gz	LZLSKIWGOKHXFI-HXUWFJFHSA-N	1	0	393.487	2.893	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)s1	ZINC000102495788	526688465	/nfs/dbraw/zinc/68/84/65/526688465.db2.gz	OITVDNSCBAKKHC-MRPLLJTBSA-N	1	0	391.518	2.805	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1	ZINC000006813037	570494999	/nfs/dbraw/zinc/49/49/99/570494999.db2.gz	GCNQCRDLGFVJDR-LJQANCHMSA-N	1	0	379.460	2.920	50	30		GFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1	ZINC000008739676	570538934	/nfs/dbraw/zinc/53/89/34/570538934.db2.gz	MASZEQDMKXGJKE-SELCWUDQSA-N	1	0	383.448	2.828	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c1	ZINC000005408692	570585981	/nfs/dbraw/zinc/58/59/81/570585981.db2.gz	LCJIYDFAPKTIKH-GHNGSUTGSA-N	1	0	384.432	2.662	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000005576782	570659325	/nfs/dbraw/zinc/65/93/25/570659325.db2.gz	DMBLADHGUYZCDF-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
CCC[N@@H+]1CCc2nc(N)c(C#N)c(-c3cc(OC)c(OC)c(OC)c3)c2C1	ZINC000018241838	210218635	/nfs/dbraw/zinc/21/86/35/210218635.db2.gz	GMGMNCSZQFQFHR-UHFFFAOYSA-N	1	0	382.464	2.996	50	30		GFEARO
N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc4ccccc4[nH]c3=O)CC2)cc1	ZINC000012938221	210034560	/nfs/dbraw/zinc/03/45/60/210034560.db2.gz	OTOGOKMBBHXTJD-UHFFFAOYSA-N	1	0	386.455	2.748	50	30		GFEARO
COc1ccc(NC(=O)[C@H]2c3cccc[n+]3CC(=O)N2c2ccc(F)cc2)cc1	ZINC000004961974	209552463	/nfs/dbraw/zinc/55/24/63/209552463.db2.gz	NEPDJNWXFWFYID-OAQYLSRUSA-O	1	0	392.410	2.848	50	30		GFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)C[NH+]3CCC(C)CC3)c2c1C#N	ZINC000002193900	209349834	/nfs/dbraw/zinc/34/98/34/209349834.db2.gz	KFHVOZHVWAANSU-QGZVFWFLSA-N	1	0	378.476	2.527	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CC(C)(C)CO)C2	ZINC000014741645	209166386	/nfs/dbraw/zinc/16/63/86/209166386.db2.gz	ZCELRIWDDCAQHF-QGZVFWFLSA-N	1	0	388.556	2.551	50	30		GFEARO
Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](Cc1cc(C#N)n(C)c1)CC2	ZINC000091391070	211189395	/nfs/dbraw/zinc/18/93/95/211189395.db2.gz	AMKBHNGXOIYLKO-UHFFFAOYSA-N	1	0	381.480	2.516	50	30		GFEARO
COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000089340145	211180641	/nfs/dbraw/zinc/18/06/41/211180641.db2.gz	COTHDHSNQQKCGM-GCJKJVERSA-N	1	0	381.476	2.820	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1	ZINC000020150188	210319833	/nfs/dbraw/zinc/31/98/33/210319833.db2.gz	LJEKJWMUBDPIMI-IBGZPJMESA-N	1	0	391.427	2.968	50	30		GFEARO
C=CCC(O)(CC=C)[C@@H](C)[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12	ZINC000012317488	518688503	/nfs/dbraw/zinc/68/85/03/518688503.db2.gz	YYEQMMJGRXKADZ-OAHLLOKOSA-N	1	0	388.537	2.993	50	30		GFEARO
COc1cc(C=NNC(N)=[NH2+])cc(Br)c1OCc1ccccc1F	ZINC000033362289	522004362	/nfs/dbraw/zinc/00/43/62/522004362.db2.gz	AYOOHQZILYGILI-WNFQYIGGSA-N	1	0	395.232	2.993	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1C	ZINC000102925353	523375480	/nfs/dbraw/zinc/37/54/80/523375480.db2.gz	IHMGBYHNXDCTFZ-YDJIHCHBSA-N	1	0	394.471	2.987	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1	ZINC000019831283	523554821	/nfs/dbraw/zinc/55/48/21/523554821.db2.gz	MCPLPBZVPNWSGZ-IBGZPJMESA-N	1	0	380.444	2.835	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000013131013	524112526	/nfs/dbraw/zinc/11/25/26/524112526.db2.gz	ZJYFSBKCUXHACP-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000005576907	524168128	/nfs/dbraw/zinc/16/81/28/524168128.db2.gz	MQDWRRKLSGTPRN-WOOAAIBNSA-N	1	0	398.434	2.818	50	30		GFEARO
C#CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@H]1CCc2ccccc21	ZINC000048366328	570245963	/nfs/dbraw/zinc/24/59/63/570245963.db2.gz	RNLGPYRCGLEUEZ-IBGZPJMESA-N	1	0	390.443	2.734	50	30		GFEARO
COC(=O)C1=C2CCOC3=C2C2=C1C(=O)[C@@H]1C[C@H]4[N@H+](C[C@@H](CC3)[C@@]24C)C[C@H]1C	ZINC000139314632	570285212	/nfs/dbraw/zinc/28/52/12/570285212.db2.gz	DTNVJGYTJYNCDT-UHCAAFETSA-N	1	0	381.472	2.780	50	30		GFEARO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000252517769	570984024	/nfs/dbraw/zinc/98/40/24/570984024.db2.gz	QUZFHHKGVIRROM-ZACQAIPSSA-N	1	0	392.544	2.953	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000102879786	520653056	/nfs/dbraw/zinc/65/30/56/520653056.db2.gz	UAHDBZAZEIJCEZ-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102717069	521233515	/nfs/dbraw/zinc/23/35/15/521233515.db2.gz	UKDCVIWCFKMZDL-SELCWUDQSA-N	1	0	384.432	2.662	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccncc2)c1	ZINC000019973879	521317978	/nfs/dbraw/zinc/31/79/78/521317978.db2.gz	UNDKJPJEBSGCAJ-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)c1	ZINC000020227554	525782365	/nfs/dbraw/zinc/78/23/65/525782365.db2.gz	DEPOCNMREGHSDL-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
C=CCn1c(SCCC(=O)NC2CCCCC2)nnc1C1CC[NH2+]CC1	ZINC000426470941	527338743	/nfs/dbraw/zinc/33/87/43/527338743.db2.gz	RFVVOQLSCPMSRX-UHFFFAOYSA-N	1	0	377.558	2.862	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c1	ZINC000005408682	570585706	/nfs/dbraw/zinc/58/57/06/570585706.db2.gz	LCJIYDFAPKTIKH-SELCWUDQSA-N	1	0	384.432	2.662	50	30		GFEARO
COCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3nc(C)cc(C)c3C#N)cc2)C1	ZINC000426707292	532974567	/nfs/dbraw/zinc/97/45/67/532974567.db2.gz	XIEKKMBXAUGNAH-SFHVURJKSA-N	1	0	392.503	2.935	50	30		GFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1	ZINC000020233147	210324742	/nfs/dbraw/zinc/32/47/42/210324742.db2.gz	JOIVUFKXHIAEBD-SFHVURJKSA-N	1	0	383.448	2.985	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2ccc(OC)c(Br)c2)CC1	ZINC000057138197	518268346	/nfs/dbraw/zinc/26/83/46/518268346.db2.gz	JURLATRICMWOBD-ZDUSSCGKSA-N	1	0	379.298	2.980	50	30		GFEARO
C=C(C)CN1CC[NH+](C[C@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000019891803	518604748	/nfs/dbraw/zinc/60/47/48/518604748.db2.gz	XGLCTIBCAKEPDC-IBGZPJMESA-N	1	0	391.515	2.991	50	30		GFEARO
CCOc1cc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCC[NH+](CC)CC)ccc1O	ZINC000020035669	520774161	/nfs/dbraw/zinc/77/41/61/520774161.db2.gz	WOKSQNGUBUQEBM-LJQANCHMSA-N	1	0	390.480	2.807	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)cc1	ZINC000019972719	523551616	/nfs/dbraw/zinc/55/16/16/523551616.db2.gz	IESQBLAARYTMMD-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)cc1C	ZINC000019570994	523556580	/nfs/dbraw/zinc/55/65/80/523556580.db2.gz	NROOYYLBVBOKDK-LJQANCHMSA-N	1	0	395.459	2.539	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000006187664	524054618	/nfs/dbraw/zinc/05/46/18/524054618.db2.gz	YRBNTJSNNFUXPA-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102689070	524105666	/nfs/dbraw/zinc/10/56/66/524105666.db2.gz	UUXBKRLJOISNDB-LFVOPCPISA-N	1	0	380.444	2.679	50	30		GFEARO
COc1ccccc1CNC(=O)C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000003301974	524467562	/nfs/dbraw/zinc/46/75/62/524467562.db2.gz	RLRMOEOOJGRXNV-UHFFFAOYSA-O	1	0	392.435	2.798	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)s1	ZINC000013161808	526687643	/nfs/dbraw/zinc/68/76/43/526687643.db2.gz	BCUHKONEMCTGBS-HNNXBMFYSA-N	1	0	389.477	2.883	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)s1	ZINC000102880340	526688706	/nfs/dbraw/zinc/68/87/06/526688706.db2.gz	KEFWXHOUXQTJKC-UYTDBDHRSA-N	1	0	385.489	2.743	50	30		GFEARO
C=C(C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000011661129	570233849	/nfs/dbraw/zinc/23/38/49/570233849.db2.gz	PJFUWQOZNUGAFG-OAQYLSRUSA-N	1	0	393.487	2.862	50	30		GFEARO
C=CC[NH+](CC=C)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2CC)C1	ZINC000014538942	570244922	/nfs/dbraw/zinc/24/49/22/570244922.db2.gz	PWMUYPHMCIBIFE-GOSISDBHSA-N	1	0	379.508	2.759	50	30		GFEARO
C=CCNS(=O)(=O)c1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)cc1	ZINC000025443900	570304442	/nfs/dbraw/zinc/30/44/42/570304442.db2.gz	IPDMICRXTQCGNC-UHFFFAOYSA-N	1	0	393.553	2.535	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000005576822	570659476	/nfs/dbraw/zinc/65/94/76/570659476.db2.gz	DMBLADHGUYZCDF-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Nc1cc(C)on1	ZINC000032777068	570799489	/nfs/dbraw/zinc/79/94/89/570799489.db2.gz	VVHXKTREYQKMIJ-UHFFFAOYSA-N	1	0	390.513	2.520	50	30		GFEARO
COc1ccccc1CC[NH+]1CCC(CN(C)C(=O)c2cc(C#N)cn2C)CC1	ZINC000095522525	211269929	/nfs/dbraw/zinc/26/99/29/211269929.db2.gz	ALFYQDKOTREVBL-UHFFFAOYSA-N	1	0	394.519	2.932	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000102502884	520652027	/nfs/dbraw/zinc/65/20/27/520652027.db2.gz	HUNNGUWFTCZGSZ-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
N#Cc1cccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+]4CCCCC4)C3)cc2)c1	ZINC000426656904	534800501	/nfs/dbraw/zinc/80/05/01/534800501.db2.gz	HHNMOYKWHJFZKX-VXKWHMMOSA-N	1	0	375.472	2.896	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c1	ZINC000019582765	525782755	/nfs/dbraw/zinc/78/27/55/525782755.db2.gz	RVXKCIAFFZLEFI-KRWDZBQOSA-N	1	0	386.473	2.897	50	30		GFEARO
C#Cc1ccc(C[N@H+]2CCN(C)C3(CCN(C(=O)c4ccco4)CC3)C2)cc1	ZINC000067459414	570409302	/nfs/dbraw/zinc/40/93/02/570409302.db2.gz	QWRARDZEGGXBQW-UHFFFAOYSA-N	1	0	377.488	2.683	50	30		GFEARO
Cc1ccc2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc(=O)n2c1	ZINC000022819105	570553711	/nfs/dbraw/zinc/55/37/11/570553711.db2.gz	IFKDVLUKIJWYPL-UHFFFAOYSA-N	1	0	387.487	2.583	50	30		GFEARO
C=CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@@H]12	ZINC000169680253	570600791	/nfs/dbraw/zinc/60/07/91/570600791.db2.gz	JILCWPMGZFVNSI-GMAHTHKFSA-N	1	0	375.516	2.894	50	30		GFEARO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3cccc(C#N)n3)C2)CC1	ZINC000072140223	211073985	/nfs/dbraw/zinc/07/39/85/211073985.db2.gz	LMDSIVQSESCKMK-IBGZPJMESA-N	1	0	377.492	2.753	50	30		GFEARO
C#CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1OC	ZINC000025365126	518317224	/nfs/dbraw/zinc/31/72/24/518317224.db2.gz	YXRFFJHORJXMNO-QGZVFWFLSA-N	1	0	380.916	2.807	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1	ZINC000102723322	520648145	/nfs/dbraw/zinc/64/81/45/520648145.db2.gz	MQNUDWUXLPPCEV-GHNGSUTGSA-N	1	0	383.448	2.747	50	30		GFEARO
COc1ccc(C(=[NH2+])NOC(=O)c2cccc(I)c2)cc1	ZINC000005102507	523371515	/nfs/dbraw/zinc/37/15/15/523371515.db2.gz	PFRXRPHHYTZQIW-UHFFFAOYSA-N	1	0	396.184	2.777	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1	ZINC000019831281	523555060	/nfs/dbraw/zinc/55/50/60/523555060.db2.gz	MCPLPBZVPNWSGZ-LJQANCHMSA-N	1	0	380.444	2.835	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000020219587	524055819	/nfs/dbraw/zinc/05/58/19/524055819.db2.gz	SSQYANOTYFUMRE-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC[NH+](C)C	ZINC000019880430	524748234	/nfs/dbraw/zinc/74/82/34/524748234.db2.gz	KICURQRJGSBVGS-LJQANCHMSA-N	1	0	380.444	2.835	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)c1	ZINC000006621463	525758843	/nfs/dbraw/zinc/75/88/43/525758843.db2.gz	YQECISVDUXKZHZ-LFVOPCPISA-N	1	0	398.434	2.818	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)c1	ZINC000020219608	525783571	/nfs/dbraw/zinc/78/35/71/525783571.db2.gz	GJQBCINFKDRJJZ-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)s1	ZINC000102880343	526687862	/nfs/dbraw/zinc/68/78/62/526687862.db2.gz	KEFWXHOUXQTJKC-IBOXJLQUSA-N	1	0	385.489	2.743	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)s1	ZINC000102537902	526688833	/nfs/dbraw/zinc/68/88/33/526688833.db2.gz	HVTQUFCJWXLBQN-IDTYTIONSA-N	1	0	389.477	2.726	50	30		GFEARO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3ncccc3C#N)C2)CC1	ZINC000072157196	537070422	/nfs/dbraw/zinc/07/04/22/537070422.db2.gz	WJIHBSRTWYLCRM-LJQANCHMSA-N	1	0	377.492	2.753	50	30		GFEARO
CC(C)CC[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@@H]1CCO	ZINC000020542168	570283590	/nfs/dbraw/zinc/28/35/90/570283590.db2.gz	IREYIGBGHXNKIL-SFHVURJKSA-N	1	0	378.582	2.785	50	30		GFEARO
N#CCCn1cc(CN2CCN(CC[NH+]3CCCC3)CC2)c(-c2ccccc2)n1	ZINC000022788559	570327901	/nfs/dbraw/zinc/32/79/01/570327901.db2.gz	CXFNRBCLYSKQQS-UHFFFAOYSA-N	1	0	392.551	2.677	50	30		GFEARO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+](C)C)cc2C1=O	ZINC000012996626	570410806	/nfs/dbraw/zinc/41/08/06/570410806.db2.gz	WXRRRRCNXYYHPF-IBGZPJMESA-N	1	0	377.444	2.501	50	30		GFEARO
N#Cc1ccsc1NC(=O)CC[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1	ZINC000008328173	221038080	/nfs/dbraw/zinc/03/80/80/221038080.db2.gz	DJFWEKDILCZYLS-UHFFFAOYSA-N	1	0	395.488	2.928	50	30		GFEARO
COCc1cc(=O)[nH]c(NC(=[NH2+])Nc2cc(C(F)(F)F)ccc2Cl)n1	ZINC000018163111	221388360	/nfs/dbraw/zinc/38/83/60/221388360.db2.gz	YNECHJRCOBJWJY-UHFFFAOYSA-N	1	0	375.738	2.647	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000019788244	521759537	/nfs/dbraw/zinc/75/95/37/521759537.db2.gz	LQVAYIMSIZSHKH-GOSISDBHSA-N	1	0	395.415	2.735	50	30		GFEARO
COC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)cc1	ZINC000016994228	522097064	/nfs/dbraw/zinc/09/70/64/522097064.db2.gz	JDYPDSJGZFTWLA-UHFFFAOYSA-O	1	0	394.426	2.953	50	30		GFEARO
COc1cc(NC(=O)NCC#CC[N@H+](C)Cc2ccccc2)cc(OC)c1OC	ZINC000090590657	522693293	/nfs/dbraw/zinc/69/32/93/522693293.db2.gz	PTYFEEGLWXAUDM-UHFFFAOYSA-N	1	0	397.475	2.969	50	30		GFEARO
O=[N+]([O-])c1ccc(/C=N/N=C2/C3CN4CC2(c2ccccc2)C[N@H+](C3)CC4)cc1	ZINC000100694472	527344105	/nfs/dbraw/zinc/34/41/05/527344105.db2.gz	OEXJBAQWVNOELX-VCASSKIBSA-N	1	0	389.459	2.569	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1	ZINC000020227640	570249026	/nfs/dbraw/zinc/24/90/26/570249026.db2.gz	YQSLJLZJOVPXKU-KRWDZBQOSA-N	1	0	385.851	2.875	50	30		GFEARO
C=CCOc1c(I)cc(C[NH2+][C@@H](CC)CO)cc1OC	ZINC000002863718	570401569	/nfs/dbraw/zinc/40/15/69/570401569.db2.gz	ZQMQANHRMSCUAH-LBPRGKRZSA-N	1	0	391.249	2.725	50	30		GFEARO
Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)o1	ZINC000006813300	570617118	/nfs/dbraw/zinc/61/71/18/570617118.db2.gz	LZKLTZYYBDENPY-DPEHCCBOSA-N	1	0	389.477	2.645	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)o2)c1	ZINC000019216344	570961806	/nfs/dbraw/zinc/96/18/06/570961806.db2.gz	XXKWIHYGLUIOTM-SFHVURJKSA-N	1	0	384.432	2.737	50	30		GFEARO
CC(C)(C)c1nn2cnnc2n(NC=CC2=[NH+]c3ccccc3C2(C)C)c1=O	ZINC000005243102	220848469	/nfs/dbraw/zinc/84/84/69/220848469.db2.gz	WETQGTKPIQJLCH-QLRDGPKKSA-N	1	0	377.452	2.705	50	30		GFEARO
N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1	ZINC000012919496	221245848	/nfs/dbraw/zinc/24/58/48/221245848.db2.gz	OPCQRILLAAIBFN-UHFFFAOYSA-N	1	0	390.487	2.915	50	30		GFEARO
C#CCn1c2cc(OC)ccc2cc(C[NH2+]Cc2cccc(OC)c2OC)c1=O	ZINC000014952296	518341732	/nfs/dbraw/zinc/34/17/32/518341732.db2.gz	OYAHGCLNCSSCQU-UHFFFAOYSA-N	1	0	392.455	2.950	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)c1	ZINC000019973883	521317935	/nfs/dbraw/zinc/31/79/35/521317935.db2.gz	ZNCLIKZLHUZVQH-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1F	ZINC000102749796	523375110	/nfs/dbraw/zinc/37/51/10/523375110.db2.gz	VQLUWBJTCRVHQL-WOOAAIBNSA-N	1	0	398.434	2.818	50	30		GFEARO
C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)/C=C/c2ccco2)CC1	ZINC000034781769	525357198	/nfs/dbraw/zinc/35/71/98/525357198.db2.gz	MQPCFPQDKBRXRP-CMDGGOBGSA-O	1	0	388.875	2.874	50	30		GFEARO
OCCC#Cc1ccc(CN2CC[N@H+](Cc3cccs3)[C@@H](CCO)C2)cc1	ZINC000020539267	570283621	/nfs/dbraw/zinc/28/36/21/570283621.db2.gz	WUSIPVTULJQXGU-NRFANRHFSA-N	1	0	384.545	2.551	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccccn1	ZINC000006243550	570347997	/nfs/dbraw/zinc/34/79/97/570347997.db2.gz	DKMBLFZYOFIIQO-HVESIFNPSA-N	1	0	385.489	2.907	50	30		GFEARO
COc1ccc(C(=[NH2+])NOC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)cc1	ZINC000035671999	570411610	/nfs/dbraw/zinc/41/16/10/570411610.db2.gz	UGRVBMSWEZSWEI-UHFFFAOYSA-N	1	0	397.475	2.976	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCSC)C2	ZINC000014749104	212098182	/nfs/dbraw/zinc/09/81/82/212098182.db2.gz	UCMFGRAPHPYPRV-INIZCTEOSA-N	1	0	376.570	2.895	50	30		GFEARO
C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[NH+](C)C)c3ccccc3)cc2C1=O	ZINC000007817721	212090825	/nfs/dbraw/zinc/09/08/25/212090825.db2.gz	MKTGAZDXNHVVMY-LJQANCHMSA-N	1	0	377.444	2.501	50	30		GFEARO
N#Cc1ccc(N2CCC([NH2+]Cc3nncn3CCc3ccccc3)CC2)nc1	ZINC000096166221	136184836	/nfs/dbraw/zinc/18/48/36/136184836.db2.gz	MZMPBVMOXIRUBC-UHFFFAOYSA-N	1	0	387.491	2.546	50	30		GFEARO
N#Cc1c(N)nc2c(c1N)c(=[NH2+])sc1c2[C@@H](c2ccccc2Cl)CC(=O)N1	ZINC000100932099	222464995	/nfs/dbraw/zinc/46/49/95/222464995.db2.gz	IABMISNOPMLJAR-MRVPVSSYSA-N	1	0	396.863	2.939	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccco2)c1	ZINC000019973841	525781325	/nfs/dbraw/zinc/78/13/25/525781325.db2.gz	YHMDEEKJDBSGJY-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1	ZINC000013728193	526482512	/nfs/dbraw/zinc/48/25/12/526482512.db2.gz	YTIRZNSFNLTIEF-GOSISDBHSA-N	1	0	382.464	2.557	50	30		GFEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccs1	ZINC000013722166	526483889	/nfs/dbraw/zinc/48/38/89/526483889.db2.gz	OKNJNQCAKKYWNB-INIZCTEOSA-N	1	0	388.493	2.618	50	30		GFEARO
C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020234269	570249424	/nfs/dbraw/zinc/24/94/24/570249424.db2.gz	WQPIQRMLBWPFEB-IBGZPJMESA-N	1	0	396.443	2.984	50	30		GFEARO
C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(CNC(=O)c2cccs2)cc1	ZINC000064361158	570443196	/nfs/dbraw/zinc/44/31/96/570443196.db2.gz	NJRUNFOUFNDBFM-UHFFFAOYSA-N	1	0	398.532	2.986	50	30		GFEARO
CC(C)c1nc(N2CCN(C(=O)C[NH+]3CCCCC3)CC2)c(C#N)c2c1CCC2	ZINC000006760421	570575067	/nfs/dbraw/zinc/57/50/67/570575067.db2.gz	UIABAKDSLIJFKJ-UHFFFAOYSA-N	1	0	395.551	2.700	50	30		GFEARO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000089920293	570919748	/nfs/dbraw/zinc/91/97/48/570919748.db2.gz	QUZFHHKGVIRROM-IXDOHACOSA-N	1	0	392.544	2.953	50	30		GFEARO
C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(F)cc(F)c1	ZINC000065975209	571032560	/nfs/dbraw/zinc/03/25/60/571032560.db2.gz	OMVDNANCHZINGQ-UHFFFAOYSA-N	1	0	379.432	2.589	50	30		GFEARO
C=CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1	ZINC000019790697	212105680	/nfs/dbraw/zinc/10/56/80/212105680.db2.gz	XTMZROZRPQGHAT-OAQYLSRUSA-N	1	0	382.504	2.986	50	30		GFEARO
COC(=O)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000007636697	221003390	/nfs/dbraw/zinc/00/33/90/221003390.db2.gz	GBWHMLHGQUQYSJ-UHFFFAOYSA-N	1	0	375.494	2.712	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1	ZINC000013570954	520656278	/nfs/dbraw/zinc/65/62/78/520656278.db2.gz	VKSWPPVVKGCPDD-GOSISDBHSA-N	1	0	383.448	2.903	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccncc1	ZINC000013731470	521755830	/nfs/dbraw/zinc/75/58/30/521755830.db2.gz	DVAWVYCGQRYCEC-LJQANCHMSA-N	1	0	390.443	2.703	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000102737808	521755843	/nfs/dbraw/zinc/75/58/43/521755843.db2.gz	APXLVXGJUBISKL-LFVOPCPISA-N	1	0	390.443	2.546	50	30		GFEARO
O=C(NCCN(CC[NH+]1CCCCCC1)C(=O)c1ccccn1)c1ccccn1	ZINC000328591974	534750855	/nfs/dbraw/zinc/75/08/55/534750855.db2.gz	JSKMLKPQSATJDT-UHFFFAOYSA-N	1	0	395.507	2.800	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000019939446	525392478	/nfs/dbraw/zinc/39/24/78/525392478.db2.gz	ZCMKYAVYDJEKAW-KRWDZBQOSA-N	1	0	386.473	2.897	50	30		GFEARO
Cc1ccc(NC(=[NH2+])NC2=N[C@@H](CC(=O)Nc3ccccc3C)C(=O)N2)cc1	ZINC000020101153	525966088	/nfs/dbraw/zinc/96/60/88/525966088.db2.gz	DHJCORUUWDBJMI-INIZCTEOSA-N	1	0	378.436	2.563	50	30		GFEARO
OCCC#Cc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1	ZINC000019836933	527529961	/nfs/dbraw/zinc/52/99/61/527529961.db2.gz	KDIFQRONDBOROA-VWLOTQADSA-N	1	0	392.543	2.532	50	30		GFEARO
CC(=O)Nc1ccnn1C1CC[NH+](Cc2ccc(C#CC(C)(C)O)s2)CC1	ZINC000011878946	570234035	/nfs/dbraw/zinc/23/40/35/570234035.db2.gz	GCMUGCLBNXTARS-UHFFFAOYSA-N	1	0	386.521	2.863	50	30		GFEARO
COc1ccc(NC(=O)[C@@H]2c3cccc[n+]3CC(=O)N2c2ccc(F)cc2)cc1	ZINC000004961973	570383346	/nfs/dbraw/zinc/38/33/46/570383346.db2.gz	NEPDJNWXFWFYID-NRFANRHFSA-O	1	0	392.410	2.848	50	30		GFEARO
NC(=[NH+]OCc1ccc(-n2cccn2)cc1)c1ccc(N2CCC(O)CC2)cc1	ZINC000170646446	231028349	/nfs/dbraw/zinc/02/83/49/231028349.db2.gz	TZXCTGFDKNHXEK-UHFFFAOYSA-N	1	0	391.475	2.671	50	30		GFEARO
C=C(C)CN1C(=O)N[C@](CC)(C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000012035955	212095974	/nfs/dbraw/zinc/09/59/74/212095974.db2.gz	MZVFTOIVRMRLBG-JOCHJYFZSA-N	1	0	399.491	2.904	50	30		GFEARO
CN1CCC([N@H+](C)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)CC1	ZINC000012869638	221240392	/nfs/dbraw/zinc/24/03/92/221240392.db2.gz	RJRSJNIBMBAAJD-NBIPDHRESA-N	1	0	376.541	2.539	50	30		GFEARO
C=CCn1cc(C[N@@H+]2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)cn1	ZINC000095372398	519281320	/nfs/dbraw/zinc/28/13/20/519281320.db2.gz	KGJKHDPWVMPHJL-WWPVKYPJSA-N	1	0	392.503	2.860	50	30		GFEARO
CC(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Br)cc1	ZINC000019831219	519368429	/nfs/dbraw/zinc/36/84/29/519368429.db2.gz	ZKHHTZOWEPAJDF-OAHLLOKOSA-N	1	0	381.270	2.685	50	30		GFEARO
CC(C)CC[N@@H+]1CCN(Cc2ccc(C#CC(C)(C)O)s2)C[C@H]1CCO	ZINC000036385725	519653798	/nfs/dbraw/zinc/65/37/98/519653798.db2.gz	IREYIGBGHXNKIL-GOSISDBHSA-N	1	0	378.582	2.785	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000019880468	521754438	/nfs/dbraw/zinc/75/44/38/521754438.db2.gz	NMWLYUOVLGLMKL-IBGZPJMESA-N	1	0	394.427	2.555	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1	ZINC000005445184	523374596	/nfs/dbraw/zinc/37/45/96/523374596.db2.gz	QQTRTHCRPWLWBU-LFVOPCPISA-N	1	0	398.434	2.818	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C)cc2)c1	ZINC000005884115	525757468	/nfs/dbraw/zinc/75/74/68/525757468.db2.gz	AHDIKARPYRLQDP-NHFXJNLRSA-N	1	0	394.471	2.987	50	30		GFEARO
[NH2+]=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000004811486	526813989	/nfs/dbraw/zinc/81/39/89/526813989.db2.gz	NAAWAAUZEXVLSB-UHFFFAOYSA-N	1	0	378.728	2.828	50	30		GFEARO
OCCC#Cc1ccc(CN2CC[N@H+](CCc3ccccc3)[C@H](CCO)C2)cc1	ZINC000103650688	527529558	/nfs/dbraw/zinc/52/95/58/527529558.db2.gz	KDIFQRONDBOROA-RUZDIDTESA-N	1	0	392.543	2.532	50	30		GFEARO
COc1ccc(CN(C)CC(=O)Nc2oc(C)c(C)c2C#N)c(OC)c1OC	ZINC000024870337	570320535	/nfs/dbraw/zinc/32/05/35/570320535.db2.gz	YIMCBYCHNZEZAC-UHFFFAOYSA-N	1	0	387.436	2.864	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000013690139	570668573	/nfs/dbraw/zinc/66/85/73/570668573.db2.gz	QVRLGCPLBALGLK-GOSISDBHSA-N	1	0	379.416	2.901	50	30		GFEARO
COc1ccc(N2CCC[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1	ZINC000240551628	570879290	/nfs/dbraw/zinc/87/92/90/570879290.db2.gz	GUZFAAYDZLZBJX-QFIPXVFZSA-N	1	0	390.487	2.884	50	30		GFEARO
C[NH+](C)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000012992909	221253760	/nfs/dbraw/zinc/25/37/60/221253760.db2.gz	AIKRKFPWBHEMNG-FQEVSTJZSA-N	1	0	377.492	2.589	50	30		GFEARO
COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cc(C#N)cn2C)cc1	ZINC000095524661	222348643	/nfs/dbraw/zinc/34/86/43/222348643.db2.gz	MZVSZQHJEMIJEJ-UHFFFAOYSA-N	1	0	394.519	2.932	50	30		GFEARO
C=CCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000012073906	518683955	/nfs/dbraw/zinc/68/39/55/518683955.db2.gz	BQANUCQGMNFBNH-HXUWFJFHSA-N	1	0	383.536	2.624	50	30		GFEARO
C=CCOc1ccc(C(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)cc1OCC	ZINC000055358812	519026070	/nfs/dbraw/zinc/02/60/70/519026070.db2.gz	KNLLCQCDBHSMIZ-IBGZPJMESA-N	1	0	388.508	2.569	50	30		GFEARO
CCNC(=[NH+]CC)S[C@H]1CC(=O)N(c2cccc(Br)c2)C1=O	ZINC000100522377	520204253	/nfs/dbraw/zinc/20/42/53/520204253.db2.gz	HJVGIMVBZKWRCW-LBPRGKRZSA-N	1	0	384.299	2.800	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)c1	ZINC000019973889	521316415	/nfs/dbraw/zinc/31/64/15/521316415.db2.gz	LXXRLNGHZPAFGM-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170273	521699056	/nfs/dbraw/zinc/69/90/56/521699056.db2.gz	UODKSPKTMRKXJN-GCJKJVERSA-N	1	0	385.556	2.992	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019582787	521755893	/nfs/dbraw/zinc/75/58/93/521755893.db2.gz	ZBDVBFIPGYHCMX-SFHVURJKSA-N	1	0	395.415	2.735	50	30		GFEARO
COc1ccc(-c2cc[n+](CC(=O)c3ccccc3[N+](=O)[O-])cn2)cc1OC	ZINC000005676226	523127528	/nfs/dbraw/zinc/12/75/28/523127528.db2.gz	CTCPKTVENOXFJQ-UHFFFAOYSA-N	1	0	380.380	2.844	50	30		GFEARO
COc1ccc(C(=O)C[n+]2ccc(-c3ccc(OC)c(OC)c3)nc2)c(OC)c1	ZINC000006127295	523594603	/nfs/dbraw/zinc/59/46/03/523594603.db2.gz	GPOHAMKETULOTD-UHFFFAOYSA-N	1	0	395.435	2.953	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccco1	ZINC000013124736	524054600	/nfs/dbraw/zinc/05/46/00/524054600.db2.gz	YRMRMVCNOWEVIJ-SFHVURJKSA-N	1	0	398.415	2.538	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000019582251	524054866	/nfs/dbraw/zinc/05/48/66/524054866.db2.gz	VTFMQBNHQNYZNO-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC[NH+](C)C	ZINC000005445203	524744259	/nfs/dbraw/zinc/74/42/59/524744259.db2.gz	DWEFKHCXUOCKFT-LFVOPCPISA-N	1	0	380.444	2.679	50	30		GFEARO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCC1	ZINC000008231780	525405163	/nfs/dbraw/zinc/40/51/63/525405163.db2.gz	VNZOQAZDTYYSCY-UHFFFAOYSA-N	1	0	392.503	2.708	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]Cc1cccnc1)C2	ZINC000014531028	570244977	/nfs/dbraw/zinc/24/49/77/570244977.db2.gz	KNIQFUCQWVQPLF-SFHVURJKSA-N	1	0	379.508	2.737	50	30		GFEARO
Cc1nnc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccccc3C)n2)s1	ZINC000002436340	570286934	/nfs/dbraw/zinc/28/69/34/570286934.db2.gz	MTQBQWGDCJNHSO-UHFFFAOYSA-N	1	0	387.494	2.589	50	30		GFEARO
C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CCO)CC1	ZINC000020390619	212106212	/nfs/dbraw/zinc/10/62/12/212106212.db2.gz	MVLYUVXPFZKYRA-UHFFFAOYSA-N	1	0	389.503	2.901	50	30		GFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[NH2+]Cc3ccccc3)c2c1C#N	ZINC000005051102	220820108	/nfs/dbraw/zinc/82/01/08/220820108.db2.gz	CNCNFFUSAODZCT-SFHVURJKSA-N	1	0	386.455	2.585	50	30		GFEARO
COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cc(C#N)cn2C)C1	ZINC000095509019	222340715	/nfs/dbraw/zinc/34/07/15/222340715.db2.gz	YSCOQYWYVUNQMS-SFHVURJKSA-N	1	0	394.519	2.932	50	30		GFEARO
C=CCOc1ccc(C[N@@H+]2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)cc1	ZINC000095384614	519034179	/nfs/dbraw/zinc/03/41/79/519034179.db2.gz	LRNVFQQVEILSBK-NFBKMPQASA-N	1	0	399.535	2.726	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1	ZINC000102876414	520651225	/nfs/dbraw/zinc/65/12/25/520651225.db2.gz	KKWRATWOIBEUTO-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1	ZINC000005489622	523373620	/nfs/dbraw/zinc/37/36/20/523373620.db2.gz	BVLDNKQOKBFKKJ-WOOAAIBNSA-N	1	0	380.444	2.679	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000102718516	524104986	/nfs/dbraw/zinc/10/49/86/524104986.db2.gz	WZLGVBQNYIZNQV-SELCWUDQSA-N	1	0	384.432	2.662	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000020219549	524111813	/nfs/dbraw/zinc/11/18/13/524111813.db2.gz	LYNZEGOVJSLVNH-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)/C=C\c2ccco2)CC1	ZINC000034781768	525358663	/nfs/dbraw/zinc/35/86/63/525358663.db2.gz	MQPCFPQDKBRXRP-HJWRWDBZSA-O	1	0	388.875	2.874	50	30		GFEARO
COC(=O)C[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(O)cc1	ZINC000252461035	570960358	/nfs/dbraw/zinc/96/03/58/570960358.db2.gz	KBIDLBJTJNLXFN-AUSIDOKSSA-O	1	0	386.468	2.869	50	30		GFEARO
C=CCN1CC[C@]2(CN(Cc3ccc4ccccc4n3)CC[N@H+]2C)CCC1=O	ZINC000091626363	570984120	/nfs/dbraw/zinc/98/41/20/570984120.db2.gz	CNHJWELNFPEPDZ-QHCPKHFHSA-N	1	0	378.520	2.920	50	30		GFEARO
COc1ccccc1[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)[NH+]1CCCC1	ZINC000083976226	570986159	/nfs/dbraw/zinc/98/61/59/570986159.db2.gz	GQPALKMFQUKDRS-IBGZPJMESA-N	1	0	392.455	2.729	50	30		GFEARO
C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(-c3cccc(C#N)n3)c2)C[C@H](C)O1	ZINC000426700114	231253678	/nfs/dbraw/zinc/25/36/78/231253678.db2.gz	WQGNALDWDWKCCS-CALCHBBNSA-N	1	0	378.476	2.849	50	30		GFEARO
COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cc(C#N)cn3C)C2)cc1	ZINC000095521029	222347145	/nfs/dbraw/zinc/34/71/45/222347145.db2.gz	NOQQPAYJPHRPIU-IBGZPJMESA-N	1	0	394.519	2.932	50	30		GFEARO
C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C(=O)NC)N(Cc2ccccc2)C1	ZINC000032534780	519072128	/nfs/dbraw/zinc/07/21/28/519072128.db2.gz	ZPBLDMNTKUVQLR-RTWAWAEBSA-N	1	0	379.504	2.730	50	30		GFEARO
C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000096134157	519147204	/nfs/dbraw/zinc/14/72/04/519147204.db2.gz	KGKOYEOMROTYLZ-OAQYLSRUSA-N	1	0	382.504	2.986	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000006785221	520654488	/nfs/dbraw/zinc/65/44/88/520654488.db2.gz	GOSSHUNXDNSCCC-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
COc1ccc(C(=O)C[n+]2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc1	ZINC000006127716	523593994	/nfs/dbraw/zinc/59/39/94/523593994.db2.gz	URJATDIFIMNAKS-UHFFFAOYSA-N	1	0	395.435	2.953	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019882951	524055407	/nfs/dbraw/zinc/05/54/07/524055407.db2.gz	APTXIQRTMIIXFL-QGZVFWFLSA-N	1	0	399.403	2.718	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F	ZINC000020219595	524055542	/nfs/dbraw/zinc/05/55/42/524055542.db2.gz	NKHJSPCDAZXEPN-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000013570555	524112660	/nfs/dbraw/zinc/11/26/60/524112660.db2.gz	SBTUHSVXTPDLMV-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@H]1CCO	ZINC000104468993	570259464	/nfs/dbraw/zinc/25/94/64/570259464.db2.gz	ICCAGKUWRSEODX-RUZDIDTESA-N	1	0	392.543	2.798	50	30		GFEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000006812695	570617083	/nfs/dbraw/zinc/61/70/83/570617083.db2.gz	SZOYUCNMSUCPFF-LFVOPCPISA-N	1	0	396.443	2.828	50	30		GFEARO
C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1	ZINC000072313078	570649538	/nfs/dbraw/zinc/64/95/38/570649538.db2.gz	GAQLUWPLJZJPJQ-UHFFFAOYSA-N	1	0	378.391	2.611	50	30		GFEARO
O=C(CN1CC(=O)[O+]=N1)N1CCc2c3ccccc3[nH]c2[C@H]1C1CCCCC1	ZINC000015063163	570875299	/nfs/dbraw/zinc/87/52/99/570875299.db2.gz	VFNIACMIQUPACR-OAQYLSRUSA-O	1	0	381.456	2.855	50	30		GFEARO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1	ZINC000040089281	204871046	/nfs/dbraw/zinc/87/10/46/204871046.db2.gz	NOEPJAGZAIBSLX-HXUWFJFHSA-N	1	0	386.540	2.669	50	30		GFEARO
C=CCC1(OC)CCN(C(=O)c2cnn3cc(C[NH+](CC)CC)cnc23)CC1	ZINC000067872781	518690899	/nfs/dbraw/zinc/69/08/99/518690899.db2.gz	IRFCMSMKYTUIGJ-UHFFFAOYSA-N	1	0	385.512	2.768	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000005488692	520651020	/nfs/dbraw/zinc/65/10/20/520651020.db2.gz	YJFXAXJFDVWCBM-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCC(C#N)CC2)cc1OC	ZINC000095509002	520738063	/nfs/dbraw/zinc/73/80/63/520738063.db2.gz	RHSRELKOONWDDT-IBGZPJMESA-N	1	0	375.513	2.512	50	30		GFEARO
C[N@H+](CC#CCNS(=O)(=O)c1cccc2cccnc21)Cc1ccccc1	ZINC000090590667	522417504	/nfs/dbraw/zinc/41/75/04/522417504.db2.gz	ODFVEBLHJPJFFS-UHFFFAOYSA-N	1	0	379.485	2.649	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1	ZINC000004311387	526022090	/nfs/dbraw/zinc/02/20/90/526022090.db2.gz	NIKFOIDCPAASLX-LJQANCHMSA-N	1	0	379.460	2.920	50	30		GFEARO
C=CCOc1ccccc1[C@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012630196	570237946	/nfs/dbraw/zinc/23/79/46/570237946.db2.gz	XCBPOQRIJKXBIB-IBGZPJMESA-N	1	0	391.431	2.859	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1	ZINC000020150161	570244622	/nfs/dbraw/zinc/24/46/22/570244622.db2.gz	CTXDZMPUINOWHS-IBGZPJMESA-N	1	0	391.427	2.968	50	30		GFEARO
C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000020234273	570249352	/nfs/dbraw/zinc/24/93/52/570249352.db2.gz	WQPIQRMLBWPFEB-LJQANCHMSA-N	1	0	396.443	2.984	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccnc1	ZINC000013686150	570668142	/nfs/dbraw/zinc/66/81/42/570668142.db2.gz	OWYQVDIWYFGDMY-IBGZPJMESA-N	1	0	390.443	2.703	50	30		GFEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@@H](C)C(C)C	ZINC000032777083	570799407	/nfs/dbraw/zinc/79/94/07/570799407.db2.gz	UTRSSDOZHYBRQN-INIZCTEOSA-N	1	0	379.574	2.745	50	30		GFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)cc1	ZINC000006812710	204211464	/nfs/dbraw/zinc/21/14/64/204211464.db2.gz	WRVIXYDEMFRWEU-WOOAAIBNSA-N	1	0	396.443	2.828	50	30		GFEARO
CC[NH+](CC)CCOc1ccccc1CNS(=O)(=O)c1ccc(C#N)cc1	ZINC000046035699	205102874	/nfs/dbraw/zinc/10/28/74/205102874.db2.gz	XVSKEBZOYCQWOP-UHFFFAOYSA-N	1	0	387.505	2.757	50	30		GFEARO
COC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1	ZINC000013777370	522096994	/nfs/dbraw/zinc/09/69/94/522096994.db2.gz	MNUFLCVWFWSIOV-UHFFFAOYSA-O	1	0	376.436	2.814	50	30		GFEARO
COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)c1ccccc1C)CC2	ZINC000096309696	522829206	/nfs/dbraw/zinc/82/92/06/522829206.db2.gz	DKIYCJCXBILOGX-UHFFFAOYSA-N	1	0	393.491	2.947	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1	ZINC000020219588	524055688	/nfs/dbraw/zinc/05/56/88/524055688.db2.gz	SSQYANOTYFUMRE-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102696571	524105007	/nfs/dbraw/zinc/10/50/07/524105007.db2.gz	VZLMQYMEKFGDLU-SELCWUDQSA-N	1	0	384.432	2.580	50	30		GFEARO
Cc1cc(OCC(=O)ONC(=[NH2+])Cc2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000004725392	525366686	/nfs/dbraw/zinc/36/66/86/525366686.db2.gz	UCEFLZZHJIFDQI-UHFFFAOYSA-N	1	0	377.784	2.994	50	30		GFEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000020234086	570249463	/nfs/dbraw/zinc/24/94/63/570249463.db2.gz	FQZPJSHFKOROSU-IBGZPJMESA-N	1	0	396.443	2.984	50	30		GFEARO
N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000030539242	570490944	/nfs/dbraw/zinc/49/09/44/570490944.db2.gz	ZKRRVDNBBNVGMA-UHFFFAOYSA-N	1	0	379.420	2.617	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000006812678	204211632	/nfs/dbraw/zinc/21/16/32/204211632.db2.gz	HHPSABYLQZWHFS-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC(C)C	ZINC000009077084	204297934	/nfs/dbraw/zinc/29/79/34/204297934.db2.gz	CBZCQOUBAGZYDG-UHFFFAOYSA-N	1	0	376.526	2.674	50	30		GFEARO
C[C@H](CN1CCc2ccccc2C1)[NH2+]C1CCN(c2cc(C#N)ccn2)CC1	ZINC000095501761	136179823	/nfs/dbraw/zinc/17/98/23/136179823.db2.gz	KLSWRONYGOVNII-GOSISDBHSA-N	1	0	375.520	2.958	50	30		GFEARO
O=C(CC1=C(c2ccccc2)CCC1=O)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1	ZINC000091965637	526335588	/nfs/dbraw/zinc/33/55/88/526335588.db2.gz	HMQWOVRXMGRKSO-RTBURBONSA-N	1	0	396.531	2.746	50	30		GFEARO
N#CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000071767897	526440468	/nfs/dbraw/zinc/44/04/68/526440468.db2.gz	HBVXDMMFOOFDSZ-OAQYLSRUSA-N	1	0	395.551	2.520	50	30		GFEARO
C=C(C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(Oc2ccccc2)c1	ZINC000011661130	570233784	/nfs/dbraw/zinc/23/37/84/570233784.db2.gz	PJFUWQOZNUGAFG-NRFANRHFSA-N	1	0	393.487	2.862	50	30		GFEARO
CC(C)(O)C#Cc1ccc(C[NH+]2CCC(CCC(=O)N3CCOCC3)CC2)cc1	ZINC000011842711	570234284	/nfs/dbraw/zinc/23/42/84/570234284.db2.gz	MFACATJIAKOWLT-UHFFFAOYSA-N	1	0	398.547	2.660	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1	ZINC000013690138	570668683	/nfs/dbraw/zinc/66/86/83/570668683.db2.gz	QVRLGCPLBALGLK-SFHVURJKSA-N	1	0	379.416	2.901	50	30		GFEARO
O=C(CN1CC(=O)[O+]=N1)N1CCc2c3ccccc3[nH]c2[C@@H]1C1CCCCC1	ZINC000015063162	570875179	/nfs/dbraw/zinc/87/51/79/570875179.db2.gz	VFNIACMIQUPACR-NRFANRHFSA-O	1	0	381.456	2.855	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCCSC)C2	ZINC000014542707	203777500	/nfs/dbraw/zinc/77/75/00/203777500.db2.gz	LHXADPBXSYEHKJ-MRXNPFEDSA-N	1	0	376.570	2.895	50	30		GFEARO
CC(=O)c1cccc(NC(=O)CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1	ZINC000039934618	205044343	/nfs/dbraw/zinc/04/43/43/205044343.db2.gz	CJFKPRZNTIRGJH-UHFFFAOYSA-N	1	0	390.487	2.907	50	30		GFEARO
N#Cc1ccccc1CN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1	ZINC000071440015	205282547	/nfs/dbraw/zinc/28/25/47/205282547.db2.gz	GJLIZEKFOXOIFU-OAQYLSRUSA-N	1	0	380.536	2.857	50	30		GFEARO
Cc1cc(C)c(C#N)c(N2CCC([N@@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)n1	ZINC000071750955	205290785	/nfs/dbraw/zinc/29/07/85/205290785.db2.gz	KPNJPYDSTVADEZ-KRWDZBQOSA-N	1	0	381.524	2.530	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccnc1	ZINC000006785196	520653846	/nfs/dbraw/zinc/65/38/46/520653846.db2.gz	CMEJRDKUSROFCK-GROYHEBESA-N	1	0	385.489	2.907	50	30		GFEARO
Cc1nc(C2=C(N)N(C3CC[NH+](Cc4ccccc4)CC3)CC2=O)sc1C	ZINC000013691585	526770638	/nfs/dbraw/zinc/77/06/38/526770638.db2.gz	BMINPPJXJRFCLP-UHFFFAOYSA-N	1	0	382.533	2.937	50	30		GFEARO
COc1cccc([C@@H](CNC(=O)CCc2c(C)nn(CCC#N)c2C)[NH+](C)C)c1	ZINC000029256743	570470888	/nfs/dbraw/zinc/47/08/88/570470888.db2.gz	JWSLUIMDVKQZLL-OAQYLSRUSA-N	1	0	397.523	2.774	50	30		GFEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccccc1	ZINC000013685045	570668227	/nfs/dbraw/zinc/66/82/27/570668227.db2.gz	AVYYOGSNMVZQQO-LJQANCHMSA-N	1	0	396.491	2.567	50	30		GFEARO
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]1Cc3ccccc3C[N@H+]1CC)CC2	ZINC000091461386	570983708	/nfs/dbraw/zinc/98/37/08/570983708.db2.gz	CKPRPOGYWZPDHJ-NRFANRHFSA-N	1	0	395.547	2.850	50	30		GFEARO
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102865295	120381452	/nfs/dbraw/zinc/38/14/52/120381452.db2.gz	JPDKIXVRMPSIBZ-WOOAAIBNSA-N	1	0	398.459	2.970	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)s1	ZINC000006812780	205783792	/nfs/dbraw/zinc/78/37/92/205783792.db2.gz	IACXLMOTKPXZJJ-INIZCTEOSA-N	1	0	385.489	2.900	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)N[C@H](C)c2ccc(OC)c(Br)c2)CC1	ZINC000057138198	518267314	/nfs/dbraw/zinc/26/73/14/518267314.db2.gz	JURLATRICMWOBD-CYBMUJFWSA-N	1	0	379.298	2.980	50	30		GFEARO
C=CCN1CC[C@]2(CN(C(=O)Nc3cccc(CC)c3)CC[N@@H+]2C)CCC1=O	ZINC000092028672	518867961	/nfs/dbraw/zinc/86/79/61/518867961.db2.gz	LUHVBUUZWFXDSS-QFIPXVFZSA-N	1	0	384.524	2.966	50	30		GFEARO
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](CCO)CC1	ZINC000019807982	519120827	/nfs/dbraw/zinc/12/08/27/519120827.db2.gz	BBGFWNPVVJEEIL-UHFFFAOYSA-N	1	0	375.476	2.510	50	30		GFEARO
CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCC(C#N)CC2)cc1OC	ZINC000095509003	520723254	/nfs/dbraw/zinc/72/32/54/520723254.db2.gz	RHSRELKOONWDDT-LJQANCHMSA-N	1	0	375.513	2.512	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(F)cc2)cc1	ZINC000019938863	523555360	/nfs/dbraw/zinc/55/53/60/523555360.db2.gz	BWIASSVZHNOLEP-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)c1	ZINC000019973839	525783327	/nfs/dbraw/zinc/78/33/27/525783327.db2.gz	IQNWTXPZLCYXDC-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
C#CCOC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984061	570911096	/nfs/dbraw/zinc/91/10/96/570911096.db2.gz	XKZRZKTZRYBWCU-FGZHOGPDSA-N	1	0	396.462	2.832	50	30		GFEARO
CCNC(=[NH+]CC)S[C@@H]1CC(=O)N(c2cccc(Br)c2)C1=O	ZINC000005016969	204103598	/nfs/dbraw/zinc/10/35/98/204103598.db2.gz	HJVGIMVBZKWRCW-GFCCVEGCSA-N	1	0	384.299	2.800	50	30		GFEARO
CC1(C)C(c2cccs2)[N+](=O)[C@]2(CCCCCC2N=NC(N)=S)N1O	ZINC000008579810	204280205	/nfs/dbraw/zinc/28/02/05/204280205.db2.gz	XQPGLCHPNIVNRV-YAJBTMAUSA-N	1	0	381.527	2.792	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccccn1	ZINC000008743263	204287806	/nfs/dbraw/zinc/28/78/06/204287806.db2.gz	YWZVEFAQPNSORN-WOOAAIBNSA-N	1	0	391.427	2.811	50	30		GFEARO
COc1ccc(C[N@@H+]2CCCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1	ZINC000008772503	204289834	/nfs/dbraw/zinc/28/98/34/204289834.db2.gz	BQLNTTHHUVCTJW-UHFFFAOYSA-N	1	0	379.460	2.680	50	30		GFEARO
C=C(C)CN1C(=O)N[C@@](CC)(C2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O	ZINC000012035952	221144352	/nfs/dbraw/zinc/14/43/52/221144352.db2.gz	MZVFTOIVRMRLBG-QFIPXVFZSA-N	1	0	399.491	2.904	50	30		GFEARO
C[C@@H](CN1CCc2ccccc2C1)[NH2+]C1CCN(c2cc(C#N)ccn2)CC1	ZINC000095501760	136179962	/nfs/dbraw/zinc/17/99/62/136179962.db2.gz	KLSWRONYGOVNII-SFHVURJKSA-N	1	0	375.520	2.958	50	30		GFEARO
C=CCN1CC[C@@]2(CN(C(=O)Nc3cccc(CC)c3)CC[N@@H+]2C)CCC1=O	ZINC000092028673	518867021	/nfs/dbraw/zinc/86/70/21/518867021.db2.gz	LUHVBUUZWFXDSS-JOCHJYFZSA-N	1	0	384.524	2.966	50	30		GFEARO
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035871024	518931455	/nfs/dbraw/zinc/93/14/55/518931455.db2.gz	QYKFXDSEKMJJOS-AZUAARDMSA-N	1	0	384.480	2.503	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000102537281	520654152	/nfs/dbraw/zinc/65/41/52/520654152.db2.gz	AZYSCTCGEYKXHP-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)c1	ZINC000019973887	521316382	/nfs/dbraw/zinc/31/63/82/521316382.db2.gz	LXXRLNGHZPAFGM-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
COC(=O)C[N@+]1(C)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(O)cc1	ZINC000252461038	523362793	/nfs/dbraw/zinc/36/27/93/523362793.db2.gz	KBIDLBJTJNLXFN-XXBNENTESA-O	1	0	386.468	2.869	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1	ZINC000006187668	524054710	/nfs/dbraw/zinc/05/47/10/524054710.db2.gz	YRBNTJSNNFUXPA-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC[NH+](C)C	ZINC000005445230	524801476	/nfs/dbraw/zinc/80/14/76/524801476.db2.gz	DWEFKHCXUOCKFT-WOOAAIBNSA-N	1	0	380.444	2.679	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)c1	ZINC000019582271	525782805	/nfs/dbraw/zinc/78/28/05/525782805.db2.gz	ZEEFAMXDVKDNQO-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
CN1C(=O)C(=C(N)NOCc2c(Cl)cccc2Cl)C(=[NH2+])C12CCCC2	ZINC000058342533	551182931	/nfs/dbraw/zinc/18/29/31/551182931.db2.gz	HYSCLQWIQRMYJI-UHFFFAOYSA-N	1	0	383.279	2.780	50	30		GFEARO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCC[NH+]1CCC(C)CC1	ZINC000012927905	570297951	/nfs/dbraw/zinc/29/79/51/570297951.db2.gz	UJIMSYONURGLGY-MRXNPFEDSA-N	1	0	381.480	2.944	50	30		GFEARO
COCC[NH+](CCOC)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000026228004	570322854	/nfs/dbraw/zinc/32/28/54/570322854.db2.gz	WJTHPLRNNXEIAF-UHFFFAOYSA-N	1	0	379.526	2.812	50	30		GFEARO
Cc1ccc(NC(=O)CN2CC[N+](C)(CC(=O)Nc3ccc(C)cc3)CC2)cc1	ZINC000012971082	570732951	/nfs/dbraw/zinc/73/29/51/570732951.db2.gz	WBLXGFZRJWJXCM-UHFFFAOYSA-O	1	0	395.527	2.643	50	30		GFEARO
C=CC[NH+](CC=C)[C@H](CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-])C(C)C	ZINC000023030494	570885224	/nfs/dbraw/zinc/88/52/24/570885224.db2.gz	LIAZHSORYPNPTC-GOSISDBHSA-N	1	0	396.513	2.613	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000104224648	570898113	/nfs/dbraw/zinc/89/81/13/570898113.db2.gz	GNFFUVUHOXLDLM-SELCWUDQSA-N	1	0	384.432	2.662	50	30		GFEARO
C=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3cc(C(=O)OC)n(C)c3)c2)C1	ZINC000534631865	570910275	/nfs/dbraw/zinc/91/02/75/570910275.db2.gz	DPSJXHOIBQCQTQ-INIZCTEOSA-N	1	0	381.476	2.716	50	30		GFEARO
Cc1cc(=O)n2c3ccccc3n(C[C@@H](O)C[NH+]3CCC(C)CC3)c2c1C#N	ZINC000002193902	570993826	/nfs/dbraw/zinc/99/38/26/570993826.db2.gz	KFHVOZHVWAANSU-KRWDZBQOSA-N	1	0	378.476	2.527	50	30		GFEARO
CC[N-]C(=S)[NH+]=C(Nc1nc(C)cc(C)n1)NC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000004705285	204066352	/nfs/dbraw/zinc/06/63/52/204066352.db2.gz	WASYTRBHSGEXCX-UHFFFAOYSA-N	1	0	391.589	2.655	50	30		GFEARO
C=CCNC(=O)[C@H]1Cc2ccccc2N2CC[N@H+](CCc3ccccc3)C[C@H]12	ZINC000035870706	518930928	/nfs/dbraw/zinc/93/09/28/518930928.db2.gz	JILCWPMGZFVNSI-JTHBVZDNSA-N	1	0	375.516	2.894	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)c(C)c1	ZINC000102882148	523375749	/nfs/dbraw/zinc/37/57/49/523375749.db2.gz	PJCRFYGLQQVIBB-YDJIHCHBSA-N	1	0	394.471	2.987	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000020219596	524055619	/nfs/dbraw/zinc/05/56/19/524055619.db2.gz	NFDZRXCIUUWWFN-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1	ZINC000102861958	525944819	/nfs/dbraw/zinc/94/48/19/525944819.db2.gz	DDPJSEPCYVOBDE-WOOAAIBNSA-N	1	0	379.460	2.763	50	30		GFEARO
N#CC1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1	ZINC000071767896	526440313	/nfs/dbraw/zinc/44/03/13/526440313.db2.gz	HBVXDMMFOOFDSZ-NRFANRHFSA-N	1	0	395.551	2.520	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)s1	ZINC000104404667	570257707	/nfs/dbraw/zinc/25/77/07/570257707.db2.gz	RBKVGBLUZIJCPA-QGZVFWFLSA-N	1	0	378.582	2.785	50	30		GFEARO
CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1	ZINC000002393951	570482305	/nfs/dbraw/zinc/48/23/05/570482305.db2.gz	FVDICPYKECYOPI-IAGOWNOFSA-N	1	0	395.507	2.968	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c1	ZINC000005408698	570585782	/nfs/dbraw/zinc/58/57/82/570585782.db2.gz	FAXODOKXPZFNHB-GROYHEBESA-N	1	0	386.473	2.740	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000005445227	204132113	/nfs/dbraw/zinc/13/21/13/204132113.db2.gz	GJXPINHGZJWLEW-GHNGSUTGSA-N	1	0	395.415	2.578	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102696566	524168802	/nfs/dbraw/zinc/16/88/02/524168802.db2.gz	VZLMQYMEKFGDLU-GHNGSUTGSA-N	1	0	384.432	2.580	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)c1	ZINC000018180845	524173160	/nfs/dbraw/zinc/17/31/60/524173160.db2.gz	LYNZEGOVJSLVNH-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
C=CCN1CC[C@@]2(CN(Cc3ccc(OC)cc3F)CC[N@@H+]2C)CCC1=O	ZINC000107421881	570233652	/nfs/dbraw/zinc/23/36/52/570233652.db2.gz	OWAFMIZIAUAUQA-OAQYLSRUSA-N	1	0	375.488	2.519	50	30		GFEARO
CN(C(=O)CC[C@H]1CCCN(C(=O)C#Cc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000012442325	570237196	/nfs/dbraw/zinc/23/71/96/570237196.db2.gz	WOSNIHTTYZLPSV-OAQYLSRUSA-N	1	0	395.547	2.610	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([NH2+]C1CCCCCC1)C2	ZINC000014533158	570244992	/nfs/dbraw/zinc/24/49/92/570244992.db2.gz	BUBUAALAMSDPGR-GOSISDBHSA-N	1	0	386.540	2.711	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)cc2)c1	ZINC000005800791	570536824	/nfs/dbraw/zinc/53/68/24/570536824.db2.gz	AHDIKARPYRLQDP-YDJIHCHBSA-N	1	0	394.471	2.987	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1	ZINC000006812685	570617095	/nfs/dbraw/zinc/61/70/95/570617095.db2.gz	COOIEKOCJNYORT-LFVOPCPISA-N	1	0	391.427	2.811	50	30		GFEARO
Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccco2)c2ccccc21	ZINC000013683735	570668582	/nfs/dbraw/zinc/66/85/82/570668582.db2.gz	SWOOJJYFRICRKA-IBGZPJMESA-N	1	0	393.443	2.911	50	30		GFEARO
C=CCOc1ccc(C(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc1OCC	ZINC000055358811	519027052	/nfs/dbraw/zinc/02/70/52/519027052.db2.gz	KNLLCQCDBHSMIZ-LJQANCHMSA-N	1	0	388.508	2.569	50	30		GFEARO
C=CCn1cc(C[NH+]2CCC3(CCC(=O)N(Cc4ccncc4)C3)CC2)cn1	ZINC000091915484	519279040	/nfs/dbraw/zinc/27/90/40/519279040.db2.gz	SBVPBDMTFLIVEO-UHFFFAOYSA-N	1	0	379.508	2.869	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccncc1	ZINC000013731467	521755604	/nfs/dbraw/zinc/75/56/04/521755604.db2.gz	DVAWVYCGQRYCEC-IBGZPJMESA-N	1	0	390.443	2.703	50	30		GFEARO
COCCNC1=[NH+]c2ncccc2NC12CCN(C(=O)CC1CCCC1)CC2	ZINC000096309692	522828449	/nfs/dbraw/zinc/82/84/49/522828449.db2.gz	DJIYHBZAILBWCL-UHFFFAOYSA-N	1	0	385.512	2.905	50	30		GFEARO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1	ZINC000067376118	534815063	/nfs/dbraw/zinc/81/50/63/534815063.db2.gz	BSUNRLXAJBGWDY-KRWDZBQOSA-N	1	0	385.512	2.722	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000018169368	525388199	/nfs/dbraw/zinc/38/81/99/525388199.db2.gz	XVGQQHGKOOXVFC-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccncc2)cc1	ZINC000102930687	525944617	/nfs/dbraw/zinc/94/46/17/525944617.db2.gz	CGAVYHDCPFDMIH-WOOAAIBNSA-N	1	0	379.460	2.763	50	30		GFEARO
C=CCn1c(S[C@@H](CC)C(=O)NC2CCCC2)nnc1C1CC[NH2+]CC1	ZINC000426484383	527346052	/nfs/dbraw/zinc/34/60/52/527346052.db2.gz	CHCQWBLBYFTOGC-INIZCTEOSA-N	1	0	377.558	2.861	50	30		GFEARO
C=CCCC(=O)NCc1nnc(SCC[NH+](C)C)n1-c1cccc(OC)c1	ZINC000012243928	570236411	/nfs/dbraw/zinc/23/64/11/570236411.db2.gz	ZSFSKVUDAVWSBY-UHFFFAOYSA-N	1	0	389.525	2.512	50	30		GFEARO
COc1ccccc1N1CC[NH+]([C@@H]2CCCN(c3cccc(C#N)n3)C2)CC1	ZINC000072140222	570312248	/nfs/dbraw/zinc/31/22/48/570312248.db2.gz	LMDSIVQSESCKMK-LJQANCHMSA-N	1	0	377.492	2.753	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000005408679	570585892	/nfs/dbraw/zinc/58/58/92/570585892.db2.gz	IYERVTHPDQSSIQ-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1	ZINC000032819064	207410247	/nfs/dbraw/zinc/41/02/47/207410247.db2.gz	QBRNVEKKJUPSOT-IBGZPJMESA-N	1	0	396.491	2.732	50	30		GFEARO
CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000096142174	208271095	/nfs/dbraw/zinc/27/10/95/208271095.db2.gz	COEIKBDAUFEFIE-UHFFFAOYSA-N	1	0	375.480	2.794	50	30		GFEARO
CC[N@@H+]1CCC[C@@H]1CN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N	ZINC000009547957	521632798	/nfs/dbraw/zinc/63/27/98/521632798.db2.gz	ZIDFTMDAFUUMRJ-OAHLLOKOSA-N	1	0	398.532	2.815	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)cc1	ZINC000019898518	523557510	/nfs/dbraw/zinc/55/75/10/523557510.db2.gz	QEZMYQQIMGAKDB-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccco1	ZINC000019880043	524055024	/nfs/dbraw/zinc/05/50/24/524055024.db2.gz	YRMRMVCNOWEVIJ-GOSISDBHSA-N	1	0	398.415	2.538	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccncc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000020219547	525392416	/nfs/dbraw/zinc/39/24/16/525392416.db2.gz	XWGYRYZVLWVVGA-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cn1ncc2ccc([N+](=O)[O-])cc21	ZINC000048341395	570239660	/nfs/dbraw/zinc/23/96/60/570239660.db2.gz	DTAQWCNCTRCBBK-UHFFFAOYSA-N	1	0	378.436	2.837	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000050024604	570328544	/nfs/dbraw/zinc/32/85/44/570328544.db2.gz	SNWQDNSTKSLFCR-UHFFFAOYSA-N	1	0	379.426	2.699	50	30		GFEARO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036147101	570548958	/nfs/dbraw/zinc/54/89/58/570548958.db2.gz	YHPMCVKCNGDSPW-VXKWHMMOSA-N	1	0	396.462	2.832	50	30		GFEARO
C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000252517768	570983850	/nfs/dbraw/zinc/98/38/50/570983850.db2.gz	QUZFHHKGVIRROM-BRWVUGGUSA-N	1	0	392.544	2.953	50	30		GFEARO
C=CCN1CC[C@]2(CN(Cc3ccc(C)c(F)c3F)CC[N@H+]2C)CCC1=O	ZINC000091486743	570984703	/nfs/dbraw/zinc/98/47/03/570984703.db2.gz	OULXMGUHRVKFSR-NRFANRHFSA-N	1	0	377.479	2.958	50	30		GFEARO
C[NH+](C)[C@@H]1CCc2cc(Br)ccc2N(C(=O)CSCC#N)C1	ZINC000857881856	662093586	/nfs/dbraw/zinc/09/35/86/662093586.db2.gz	CMDUMBDGEKYHJA-CQSZACIVSA-N	1	0	382.327	2.915	50	30		GFEARO
COc1ccc(NC(=O)[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	ZINC000001834248	208500628	/nfs/dbraw/zinc/50/06/28/208500628.db2.gz	XQBVKQBPRQINMH-SFHVURJKSA-O	1	0	385.440	2.745	50	30		GFEARO
COc1ccc(NC(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1C#N	ZINC000299783028	209088366	/nfs/dbraw/zinc/08/83/66/209088366.db2.gz	XDHBRUUSCJCJEH-UHFFFAOYSA-N	1	0	376.460	2.884	50	30		GFEARO
C=C(Cl)Cn1c2cc(F)ccc2cc(C[NH2+]CCc2nc(C)n[nH]2)c1=O	ZINC000014971205	518652201	/nfs/dbraw/zinc/65/22/01/518652201.db2.gz	WJQIYORANAJZGB-UHFFFAOYSA-N	1	0	375.835	2.652	50	30		GFEARO
CC#CC(=O)N1CCC[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055281795	519330228	/nfs/dbraw/zinc/33/02/28/519330228.db2.gz	RWDIYWUSHAUKTI-GOSISDBHSA-N	1	0	379.426	2.842	50	30		GFEARO
CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000019999641	521416120	/nfs/dbraw/zinc/41/61/20/521416120.db2.gz	IEGJDVJHLZBUKB-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
CC[N@@H+]1CCC[C@H]1CN1CC(=O)C(c2nc(-c3ccc(OC)cc3)cs2)=C1N	ZINC000009547959	521653370	/nfs/dbraw/zinc/65/33/70/521653370.db2.gz	ZIDFTMDAFUUMRJ-HNNXBMFYSA-N	1	0	398.532	2.815	50	30		GFEARO
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O	ZINC000019880444	522953777	/nfs/dbraw/zinc/95/37/77/522953777.db2.gz	UQHBTPDLUOCCAY-IBGZPJMESA-N	1	0	396.443	2.541	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1F	ZINC000013692363	523554920	/nfs/dbraw/zinc/55/49/20/523554920.db2.gz	JHWNORKLIVZHBP-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
N#Cc1c(N)nc2c(c1-c1ccc(OCCO)cc1)C[N@@H+](C1CCCC1)CC2	ZINC000072134655	570311710	/nfs/dbraw/zinc/31/17/10/570311710.db2.gz	IGIQVXZFFHRVNE-UHFFFAOYSA-N	1	0	378.476	2.874	50	30		GFEARO
COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000089340147	208104905	/nfs/dbraw/zinc/10/49/05/208104905.db2.gz	COTHDHSNQQKCGM-XMSQKQJNSA-N	1	0	381.476	2.820	50	30		GFEARO
Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1	ZINC000071760854	136166249	/nfs/dbraw/zinc/16/62/49/136166249.db2.gz	VPDOWQDJBNMQQE-LJQANCHMSA-N	1	0	381.524	2.565	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)N[C@H]2CCOc3ccc(Br)cc32)CC1	ZINC000058427566	518268782	/nfs/dbraw/zinc/26/87/82/518268782.db2.gz	LAIHMNHCOXGGIJ-INIZCTEOSA-N	1	0	377.282	2.734	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1	ZINC000102752161	521754594	/nfs/dbraw/zinc/75/45/94/521754594.db2.gz	NRDIABWCMVPARF-SELCWUDQSA-N	1	0	379.416	2.744	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)cc1	ZINC000019972718	523553363	/nfs/dbraw/zinc/55/33/63/523553363.db2.gz	IESQBLAARYTMMD-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
Cc1cc(N(CCC#N)C(=O)CSc2nc(N)cc(N)[nH+]2)ccc1Cl	ZINC000031820307	551130934	/nfs/dbraw/zinc/13/09/34/551130934.db2.gz	OQQRBTLOXUDVTG-UHFFFAOYSA-N	1	0	376.873	2.642	50	30		GFEARO
Cc1ccc(CN2CCN(Cc3ccc(C#CC(C)(C)O)cc3)C[C@H]2CCO)o1	ZINC000104454103	570258804	/nfs/dbraw/zinc/25/88/04/570258804.db2.gz	XFGHOQGIWVXJLX-JOCHJYFZSA-N	1	0	396.531	2.779	50	30		GFEARO
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cc2ccccc2o1	ZINC000575621107	570370770	/nfs/dbraw/zinc/37/07/70/570370770.db2.gz	NMDONTUTGBJCRN-QGZVFWFLSA-N	1	0	376.416	2.662	50	30		GFEARO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccnc2)c1	ZINC000013065775	570744758	/nfs/dbraw/zinc/74/47/58/570744758.db2.gz	ZWCBZDOLMLDGDT-LJQANCHMSA-N	1	0	379.460	2.838	50	30		GFEARO
N#Cc1ccc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3CO)cc2)cn1	ZINC000426510117	231233092	/nfs/dbraw/zinc/23/30/92/231233092.db2.gz	KJHJHKFKBZGULQ-OAQYLSRUSA-N	1	0	378.476	2.587	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1	ZINC000039466582	209093544	/nfs/dbraw/zinc/09/35/44/209093544.db2.gz	BIEUQUIBKMKDGQ-OAQYLSRUSA-N	1	0	398.572	2.939	50	30		GFEARO
C=CCC1(OC)CC[NH+](C[C@@]2(O)CCCN(CCc3ccccc3)C2=O)CC1	ZINC000067841015	518690861	/nfs/dbraw/zinc/69/08/61/518690861.db2.gz	UMJPZISIYPTXNR-QHCPKHFHSA-N	1	0	386.536	2.640	50	30		GFEARO
C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@H]12	ZINC000035871022	518921816	/nfs/dbraw/zinc/92/18/16/518921816.db2.gz	QYKFXDSEKMJJOS-UYAOXDASSA-N	1	0	384.480	2.503	50	30		GFEARO
CC#CC(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000055281792	519330665	/nfs/dbraw/zinc/33/06/65/519330665.db2.gz	RWDIYWUSHAUKTI-SFHVURJKSA-N	1	0	379.426	2.842	50	30		GFEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccn2)cc1	ZINC000020232459	520875895	/nfs/dbraw/zinc/87/58/95/520875895.db2.gz	LZLJTJXHZBADCA-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
CC[NH+]1CCN(c2ccc(N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170274	521699453	/nfs/dbraw/zinc/69/94/53/521699453.db2.gz	UODKSPKTMRKXJN-PGRDOPGGSA-N	1	0	385.556	2.992	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccn1	ZINC000013725558	521754261	/nfs/dbraw/zinc/75/42/61/521754261.db2.gz	QDFVXMCOOYIMOW-LJQANCHMSA-N	1	0	390.443	2.703	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)c(C)c1	ZINC000102882146	523374016	/nfs/dbraw/zinc/37/40/16/523374016.db2.gz	PJCRFYGLQQVIBB-NHFXJNLRSA-N	1	0	394.471	2.987	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccco1	ZINC000013719040	524297416	/nfs/dbraw/zinc/29/74/16/524297416.db2.gz	NZYSYLUTUNACPG-KRWDZBQOSA-N	1	0	388.395	2.567	50	30		GFEARO
Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)o1	ZINC000020219221	525789646	/nfs/dbraw/zinc/78/96/46/525789646.db2.gz	KYHHZZPBYALQCR-OAHLLOKOSA-N	1	0	389.477	2.801	50	30		GFEARO
[NH2+]=C(Cc1ccc(Cl)cc1)NOC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004680655	526814712	/nfs/dbraw/zinc/81/47/12/526814712.db2.gz	PUOGIGKZXLDHFK-UHFFFAOYSA-N	1	0	378.728	2.828	50	30		GFEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C[C@H]12	ZINC000061997757	570553815	/nfs/dbraw/zinc/55/38/15/570553815.db2.gz	XYKSVNDXUQWESH-ZJQTUCFNSA-N	1	0	396.535	2.913	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000005409134	570586328	/nfs/dbraw/zinc/58/63/28/570586328.db2.gz	QESJJQVOHZNTAP-LFVOPCPISA-N	1	0	398.459	2.970	50	30		GFEARO
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)cc1	ZINC000006812691	570616988	/nfs/dbraw/zinc/61/69/88/570616988.db2.gz	WRVIXYDEMFRWEU-LFVOPCPISA-N	1	0	396.443	2.828	50	30		GFEARO
Cn1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccco2)c2ccccc21	ZINC000013683739	570668621	/nfs/dbraw/zinc/66/86/21/570668621.db2.gz	SWOOJJYFRICRKA-LJQANCHMSA-N	1	0	393.443	2.911	50	30		GFEARO
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1	ZINC000032819063	570841113	/nfs/dbraw/zinc/84/11/13/570841113.db2.gz	QBRNVEKKJUPSOT-LJQANCHMSA-N	1	0	396.491	2.732	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CC(C)(C)CO)C2	ZINC000014741646	206247228	/nfs/dbraw/zinc/24/72/28/206247228.db2.gz	ZCELRIWDDCAQHF-KRWDZBQOSA-N	1	0	388.556	2.551	50	30		GFEARO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2	ZINC000014732711	206247399	/nfs/dbraw/zinc/24/73/99/206247399.db2.gz	JRXQDWONZVMCTK-SFHVURJKSA-N	1	0	396.560	2.905	50	30		GFEARO
C=CCOc1ccc(C(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)cc1OCC	ZINC000055182537	519024573	/nfs/dbraw/zinc/02/45/73/519024573.db2.gz	QTQSRRAFNMEFAN-UHFFFAOYSA-N	1	0	388.508	2.713	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1	ZINC000102494662	520654278	/nfs/dbraw/zinc/65/42/78/520654278.db2.gz	BAMQKOALNWOEKD-WOOAAIBNSA-N	1	0	379.460	2.845	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1	ZINC000019884413	524054835	/nfs/dbraw/zinc/05/48/35/524054835.db2.gz	WHEAXOUVBNTAED-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
CC[NH+]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)CC1	ZINC000022932411	570379917	/nfs/dbraw/zinc/37/99/17/570379917.db2.gz	BDOTZTJKQBHYTN-UHFFFAOYSA-N	1	0	395.507	2.550	50	30		GFEARO
Cc1cc(Cl)ccc1OCC(=O)ONC(=[NH2+])Cc1ccc([N+](=O)[O-])cc1	ZINC000004689780	570393443	/nfs/dbraw/zinc/39/34/43/570393443.db2.gz	CZLYLYAIKOBRIR-UHFFFAOYSA-N	1	0	377.784	2.994	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccccn1	ZINC000008743262	570539630	/nfs/dbraw/zinc/53/96/30/570539630.db2.gz	YWZVEFAQPNSORN-LFVOPCPISA-N	1	0	391.427	2.811	50	30		GFEARO
C=CCOC[C@@H](O)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1	ZINC000036147664	570549421	/nfs/dbraw/zinc/54/94/21/570549421.db2.gz	FEXKKZVCXBORGB-SFHVURJKSA-N	1	0	383.448	2.938	50	30		GFEARO
COc1ccc(CN2CCC(C#N)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C	ZINC000095526562	571091226	/nfs/dbraw/zinc/09/12/26/571091226.db2.gz	GGIGQGAZCNWDGC-IBGZPJMESA-N	1	0	375.513	2.511	50	30		GFEARO
Cc1sc2ncn(CCC[NH+](C)C)c(=O)c2c1C(=O)Nc1ccc(C#N)cc1	ZINC000096134217	208268811	/nfs/dbraw/zinc/26/88/11/208268811.db2.gz	LNOGRNDOFSENNV-UHFFFAOYSA-N	1	0	395.488	2.842	50	30		GFEARO
C#CC[NH+]1CCC(C(=O)Nc2cc3c(cc2Br)OCCO3)CC1	ZINC000058203335	518269009	/nfs/dbraw/zinc/26/90/09/518269009.db2.gz	XWFSYFLJIICXKD-UHFFFAOYSA-N	1	0	379.254	2.504	50	30		GFEARO
C=CCOc1c(Br)cc(C[NH2+]CCCN2CCOCC2)cc1OC	ZINC000002861474	519002067	/nfs/dbraw/zinc/00/20/67/519002067.db2.gz	KQKBJFXVNUEEDO-UHFFFAOYSA-N	1	0	399.329	2.834	50	30		GFEARO
C=CCc1ccc(OC[C@@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1	ZINC000019790701	519139849	/nfs/dbraw/zinc/13/98/49/519139849.db2.gz	IQVQDYRAPICAQE-QFIPXVFZSA-N	1	0	396.531	2.981	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccco2)[C@H]1c1cccnc1	ZINC000020218953	520656255	/nfs/dbraw/zinc/65/62/55/520656255.db2.gz	VYCWQCPMQMCNTK-SQUSKLHYSA-N	1	0	395.459	2.994	50	30		GFEARO
CC[NH+]1CCN(c2ccc(N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c(C)c2)CC1	ZINC000056170275	521699416	/nfs/dbraw/zinc/69/94/16/521699416.db2.gz	UODKSPKTMRKXJN-XMSQKQJNSA-N	1	0	385.556	2.992	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccn1	ZINC000102737811	521756198	/nfs/dbraw/zinc/75/61/98/521756198.db2.gz	APXLVXGJUBISKL-WOOAAIBNSA-N	1	0	390.443	2.546	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1	ZINC000019884411	524054740	/nfs/dbraw/zinc/05/47/40/524054740.db2.gz	WHEAXOUVBNTAED-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000018023886	525224051	/nfs/dbraw/zinc/22/40/51/525224051.db2.gz	XDORZHMSUPGPDO-LJQANCHMSA-N	1	0	380.444	2.835	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccco2)c1	ZINC000019973840	525783221	/nfs/dbraw/zinc/78/32/21/525783221.db2.gz	YHMDEEKJDBSGJY-GOSISDBHSA-N	1	0	384.432	2.818	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccccn2)cc1	ZINC000102692757	525941469	/nfs/dbraw/zinc/94/14/69/525941469.db2.gz	WLGYAWJXTLUPJL-LFVOPCPISA-N	1	0	379.460	2.763	50	30		GFEARO
Cc1ccc(NC(=[NH2+])NC2=N[C@H](CC(=O)Nc3ccccc3C)C(=O)N2)cc1	ZINC000020101155	525968483	/nfs/dbraw/zinc/96/84/83/525968483.db2.gz	DHJCORUUWDBJMI-MRXNPFEDSA-N	1	0	378.436	2.563	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccnc2)cc1	ZINC000017161114	526022803	/nfs/dbraw/zinc/02/28/03/526022803.db2.gz	GCNQCRDLGFVJDR-IBGZPJMESA-N	1	0	379.460	2.920	50	30		GFEARO
O=C(C[n+]1cc(-c2ccccc2)n2c1CCC2)Nc1ccc2c(c1)OCCO2	ZINC000013758695	527194480	/nfs/dbraw/zinc/19/44/80/527194480.db2.gz	IZBBXWUSRRVLGA-UHFFFAOYSA-O	1	0	376.436	2.799	50	30		GFEARO
CC(C)(O)C#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3cccnc3)C2)s1	ZINC000012595267	570238057	/nfs/dbraw/zinc/23/80/57/570238057.db2.gz	VIJKBKVQADRIEP-KRWDZBQOSA-N	1	0	397.544	2.908	50	30		GFEARO
C=C(C)COc1cc2oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c2cc1Cl	ZINC000013627596	570242431	/nfs/dbraw/zinc/24/24/31/570242431.db2.gz	JEWYNICTIAXSFI-UHFFFAOYSA-N	1	0	392.883	2.930	50	30		GFEARO
N#Cc1cccc(CN2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1	ZINC000071403938	570685148	/nfs/dbraw/zinc/68/51/48/570685148.db2.gz	LDRYBVOSBKZOON-OAQYLSRUSA-N	1	0	380.536	2.857	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1	ZINC000005799490	570693039	/nfs/dbraw/zinc/69/30/39/570693039.db2.gz	CJTGXMCAUGUEHI-WOOAAIBNSA-N	1	0	379.460	2.845	50	30		GFEARO
COC(=O)C[N@@+]1(C)CCc2cc(OC)c(OC)cc2[C@@H]1Cc1ccc(O)cc1	ZINC000252461037	570960413	/nfs/dbraw/zinc/96/04/13/570960413.db2.gz	KBIDLBJTJNLXFN-WMZHIEFXSA-O	1	0	386.468	2.869	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1	ZINC000020227642	207184256	/nfs/dbraw/zinc/18/42/56/207184256.db2.gz	YQSLJLZJOVPXKU-QGZVFWFLSA-N	1	0	385.851	2.875	50	30		GFEARO
C=CCC(O)(CC=C)[C@H](C)[NH2+]Cc1c(C(=O)N2CCCC2)nc2sccn12	ZINC000012317489	518688145	/nfs/dbraw/zinc/68/81/45/518688145.db2.gz	YYEQMMJGRXKADZ-HNNXBMFYSA-N	1	0	388.537	2.993	50	30		GFEARO
CC#CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012314301	519330652	/nfs/dbraw/zinc/33/06/52/519330652.db2.gz	POTBHZRKAYHNEC-QHCPKHFHSA-N	1	0	380.532	2.897	50	30		GFEARO
CCCCCCCCCCOC(=O)C[N+]1(CCN2CCOCC2)CCOCC1	ZINC000100703895	520019346	/nfs/dbraw/zinc/01/93/46/520019346.db2.gz	CUPRYSSMBPNGPY-UHFFFAOYSA-N	1	0	399.596	2.850	50	30		GFEARO
CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC(C#N)CC2)ccc1OC	ZINC000095511027	520722778	/nfs/dbraw/zinc/72/27/78/520722778.db2.gz	MLNKJKSFTTXTGX-LJQANCHMSA-N	1	0	375.513	2.512	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000019882794	521754819	/nfs/dbraw/zinc/75/48/19/521754819.db2.gz	OLIKXOFGXTVKCJ-QGZVFWFLSA-N	1	0	385.851	2.875	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1	ZINC000102861960	525942712	/nfs/dbraw/zinc/94/27/12/525942712.db2.gz	DDPJSEPCYVOBDE-LFVOPCPISA-N	1	0	379.460	2.763	50	30		GFEARO
Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CC[NH+](C)C)o1	ZINC000020219220	525985530	/nfs/dbraw/zinc/98/55/30/525985530.db2.gz	KYHHZZPBYALQCR-HNNXBMFYSA-N	1	0	389.477	2.801	50	30		GFEARO
C=CCN1CC[C@@]2(CN(Cc3ccc(C)c(F)c3F)CC[N@H+]2C)CCC1=O	ZINC000107404400	570233292	/nfs/dbraw/zinc/23/32/92/570233292.db2.gz	OULXMGUHRVKFSR-OAQYLSRUSA-N	1	0	377.479	2.958	50	30		GFEARO
CN(C(=O)CC[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1)C1CC[NH+](C)CC1	ZINC000012442323	570237627	/nfs/dbraw/zinc/23/76/27/570237627.db2.gz	WOSNIHTTYZLPSV-NRFANRHFSA-N	1	0	395.547	2.610	50	30		GFEARO
C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)COc2ccc(C#N)cc2)CC1	ZINC000005200863	570504896	/nfs/dbraw/zinc/50/48/96/570504896.db2.gz	XSJZCGRZADGTBJ-UHFFFAOYSA-N	1	0	384.867	2.981	50	30		GFEARO
Cc1ccc(C2[N+](=O)[C@@]3(CCCCCC3N=NC(N)=S)N(O)C2(C)C)o1	ZINC000008579539	570534849	/nfs/dbraw/zinc/53/48/49/570534849.db2.gz	IGPKJMOXRGXDKB-AMRJIULGSA-N	1	0	379.486	2.632	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C)o2)c1	ZINC000005409139	570586361	/nfs/dbraw/zinc/58/63/61/570586361.db2.gz	QESJJQVOHZNTAP-WOOAAIBNSA-N	1	0	398.459	2.970	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000005445195	570595071	/nfs/dbraw/zinc/59/50/71/570595071.db2.gz	GJXPINHGZJWLEW-SELCWUDQSA-N	1	0	395.415	2.578	50	30		GFEARO
CCNC(=[NH+]CC)S[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000012411847	570656007	/nfs/dbraw/zinc/65/60/07/570656007.db2.gz	ALIZOEOELNHVFQ-LBPRGKRZSA-N	1	0	384.299	2.800	50	30		GFEARO
CCNC(=[NH+]CC)S[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000002176651	209348455	/nfs/dbraw/zinc/34/84/55/209348455.db2.gz	ALIZOEOELNHVFQ-GFCCVEGCSA-N	1	0	384.299	2.800	50	30		GFEARO
C#CC[N@@H+](Cc1c(C(=O)N2CCOCC2)nc2c(C)cccn12)C1CCCCC1	ZINC000019227597	209172115	/nfs/dbraw/zinc/17/21/15/209172115.db2.gz	MZKKQHACLDVFEM-UHFFFAOYSA-N	1	0	394.519	2.883	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCCSC)C2	ZINC000014542708	209166430	/nfs/dbraw/zinc/16/64/30/209166430.db2.gz	LHXADPBXSYEHKJ-INIZCTEOSA-N	1	0	376.570	2.895	50	30		GFEARO
C=CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1	ZINC000019790696	519139614	/nfs/dbraw/zinc/13/96/14/519139614.db2.gz	XTMZROZRPQGHAT-NRFANRHFSA-N	1	0	382.504	2.986	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(F)cc2)cc1	ZINC000019938862	523557449	/nfs/dbraw/zinc/55/74/49/523557449.db2.gz	BWIASSVZHNOLEP-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1	ZINC000019898516	523558023	/nfs/dbraw/zinc/55/80/23/523558023.db2.gz	QEZMYQQIMGAKDB-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000019938511	524054758	/nfs/dbraw/zinc/05/47/58/524054758.db2.gz	ZGKQQCHFZNIMHW-GOSISDBHSA-N	1	0	383.423	2.751	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000019939448	525225160	/nfs/dbraw/zinc/22/51/60/525225160.db2.gz	ZCMKYAVYDJEKAW-QGZVFWFLSA-N	1	0	386.473	2.897	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)c1	ZINC000006621470	525758250	/nfs/dbraw/zinc/75/82/50/525758250.db2.gz	YQECISVDUXKZHZ-WOOAAIBNSA-N	1	0	398.434	2.818	50	30		GFEARO
O=[n+]1c(/C=N/N=C/c2cc(Br)ccc2O)cn(O)c2ccccc21	ZINC000368131123	563864462	/nfs/dbraw/zinc/86/44/62/563864462.db2.gz	FIBUBFUMYXKLTR-DJKKODMXSA-O	1	0	388.201	2.714	50	30		GFEARO
C=CCOC[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098497	570536459	/nfs/dbraw/zinc/53/64/59/570536459.db2.gz	LAPAEYGLPDQRFS-LJQANCHMSA-N	1	0	385.460	2.990	50	30		GFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccccn1	ZINC000008739677	570539005	/nfs/dbraw/zinc/53/90/05/570539005.db2.gz	MASZEQDMKXGJKE-GHNGSUTGSA-N	1	0	383.448	2.828	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccn1	ZINC000005408689	570585827	/nfs/dbraw/zinc/58/58/27/570585827.db2.gz	IYERVTHPDQSSIQ-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000006812712	570617168	/nfs/dbraw/zinc/61/71/68/570617168.db2.gz	JDBCZLWXKGEKTG-WOOAAIBNSA-N	1	0	396.443	2.828	50	30		GFEARO
C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(C#CC(C)(C)O)cc3)CC2)C[C@H](C)O1	ZINC000252485655	570973487	/nfs/dbraw/zinc/97/34/87/570973487.db2.gz	HBELESGDEGZLIB-HDICACEKSA-N	1	0	384.520	2.523	50	30		GFEARO
CC[N@H+](CCC(=O)Nc1sccc1C#N)CC(=O)NCc1cccs1	ZINC000023218080	570977913	/nfs/dbraw/zinc/97/79/13/570977913.db2.gz	XIHPNHMIHYVQCC-UHFFFAOYSA-N	1	0	376.507	2.648	50	30		GFEARO
CC(C)(O)C#Cc1ccc(CN2CC[N@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1	ZINC000022932688	209175186	/nfs/dbraw/zinc/17/51/86/209175186.db2.gz	UNWQKFBEZBYDFT-DEOSSOPVSA-N	1	0	392.543	2.878	50	30		GFEARO
COc1ccc(C(=O)C[n+]2cc3nc(C)n(C)c3c(Br)c2)cc1	ZINC000001802591	211510302	/nfs/dbraw/zinc/51/03/02/211510302.db2.gz	IBZLSYAUXZATGJ-UHFFFAOYSA-N	1	0	375.246	2.823	50	30		GFEARO
Cc1oc2ncn(CC[NH+]3CCCC3)c(=O)c2c1C(=O)Nc1ccc(C#N)cc1	ZINC000096134210	211307094	/nfs/dbraw/zinc/30/70/94/211307094.db2.gz	WXGBEGHAJNVTFF-UHFFFAOYSA-N	1	0	391.431	2.518	50	30		GFEARO
COc1ccc(CC[NH+]2CCC(CN(C)C(=O)c3cc(C#N)cn3C)CC2)cc1	ZINC000095521868	211268403	/nfs/dbraw/zinc/26/84/03/211268403.db2.gz	DTJBDNOGSWUOSG-UHFFFAOYSA-N	1	0	394.519	2.932	50	30		GFEARO
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccccn1	ZINC000020233151	210323740	/nfs/dbraw/zinc/32/37/40/210323740.db2.gz	JOIVUFKXHIAEBD-GOSISDBHSA-N	1	0	383.448	2.985	50	30		GFEARO
C[C@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)[NH+]1CCN(C)CC1	ZINC000426441667	533937963	/nfs/dbraw/zinc/93/79/63/533937963.db2.gz	ADBQAQAZNUXWPW-GOSISDBHSA-N	1	0	376.504	2.981	50	30		GFEARO
CC#CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1	ZINC000012314302	519329369	/nfs/dbraw/zinc/32/93/69/519329369.db2.gz	POTBHZRKAYHNEC-HSZRJFAPSA-N	1	0	380.532	2.897	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)c1	ZINC000019973881	521317712	/nfs/dbraw/zinc/31/77/12/521317712.db2.gz	UNDKJPJEBSGCAJ-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000102930485	521756135	/nfs/dbraw/zinc/75/61/35/521756135.db2.gz	XREGWRJQRNLUAU-HVESIFNPSA-N	1	0	385.851	2.718	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2F)c1	ZINC000020230692	525782386	/nfs/dbraw/zinc/78/23/86/525782386.db2.gz	YZDBJFMTCVHVQG-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)s1	ZINC000004312585	526689579	/nfs/dbraw/zinc/68/95/79/526689579.db2.gz	ZXGJKTISIAVQPF-AWEZNQCLSA-N	1	0	391.518	2.961	50	30		GFEARO
C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(C(=O)c2cccs2)CC1	ZINC000003202691	551091998	/nfs/dbraw/zinc/09/19/98/551091998.db2.gz	GQYDLRHTVJXDDO-UHFFFAOYSA-O	1	0	378.905	2.943	50	30		GFEARO
C=CCOC[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098495	570536639	/nfs/dbraw/zinc/53/66/39/570536639.db2.gz	LAPAEYGLPDQRFS-IBGZPJMESA-N	1	0	385.460	2.990	50	30		GFEARO
C#CCOC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104984065	570911230	/nfs/dbraw/zinc/91/12/30/570911230.db2.gz	XKZRZKTZRYBWCU-FCHUYYIVSA-N	1	0	396.462	2.832	50	30		GFEARO
O=C(/C=C/c1ccc(C[N@H+](CCO)CCc2c[nH]c3ccccc23)cc1)NO	ZINC000001494627	209330938	/nfs/dbraw/zinc/33/09/38/209330938.db2.gz	BWDQBBCUWLSASG-MDZDMXLPSA-N	1	0	379.460	2.724	50	30	investigational	GFEARO
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccccc1OCC[NH+](C)C	ZINC000071774940	211063397	/nfs/dbraw/zinc/06/33/97/211063397.db2.gz	QCKDCOKYBHTGKV-UHFFFAOYSA-N	1	0	376.464	2.852	50	30		GFEARO
C=C(C)C(=O)OC[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1	ZINC000004200150	518586880	/nfs/dbraw/zinc/58/68/80/518586880.db2.gz	OYTNSLHNPSBHKM-QFIPXVFZSA-N	1	0	390.500	2.761	50	30		GFEARO
C=CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000012073909	518683738	/nfs/dbraw/zinc/68/37/38/518683738.db2.gz	BQANUCQGMNFBNH-FQEVSTJZSA-N	1	0	383.536	2.624	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccn1	ZINC000005488605	520650081	/nfs/dbraw/zinc/65/00/81/520650081.db2.gz	YJFXAXJFDVWCBM-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)c1	ZINC000020230689	525781973	/nfs/dbraw/zinc/78/19/73/525781973.db2.gz	YZDBJFMTCVHVQG-LJQANCHMSA-N	1	0	398.434	2.974	50	30		GFEARO
C=CCOc1ccccc1[C@@H]1NC(=[NH2+])Nc2nc3cc4c(cc3n21)OCCCO4	ZINC000012630199	570238193	/nfs/dbraw/zinc/23/81/93/570238193.db2.gz	XCBPOQRIJKXBIB-LJQANCHMSA-N	1	0	391.431	2.859	50	30		GFEARO
C#CC[N@@H+](Cc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1)[C@@H]1CCc2ccccc21	ZINC000048366327	570245970	/nfs/dbraw/zinc/24/59/70/570245970.db2.gz	RNLGPYRCGLEUEZ-LJQANCHMSA-N	1	0	390.443	2.734	50	30		GFEARO
C=CCOC[C@H](O)C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1ccco1	ZINC000036147659	570549564	/nfs/dbraw/zinc/54/95/64/570549564.db2.gz	FEXKKZVCXBORGB-GOSISDBHSA-N	1	0	383.448	2.938	50	30		GFEARO
COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000229891055	570674726	/nfs/dbraw/zinc/67/47/26/570674726.db2.gz	COTHDHSNQQKCGM-PGRDOPGGSA-N	1	0	381.476	2.820	50	30		GFEARO
COc1ccc(N2CCC[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)cc1	ZINC000083947478	570981703	/nfs/dbraw/zinc/98/17/03/570981703.db2.gz	GUZFAAYDZLZBJX-JOCHJYFZSA-N	1	0	390.487	2.884	50	30		GFEARO
C=C(Br)CNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1	ZINC000058424723	518583236	/nfs/dbraw/zinc/58/32/36/518583236.db2.gz	IUDZSXVAMZLXQU-KRWDZBQOSA-N	1	0	395.345	2.573	50	30		GFEARO
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1	ZINC000095531093	518859440	/nfs/dbraw/zinc/85/94/40/518859440.db2.gz	KOLPPEKEFZLHOS-FQEVSTJZSA-N	1	0	379.508	2.683	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccncc1	ZINC000006785345	520654332	/nfs/dbraw/zinc/65/43/32/520654332.db2.gz	OTMAZECDBJCPNA-HVESIFNPSA-N	1	0	385.489	2.907	50	30		GFEARO
Cc1ccccc1C[N@@H+]1CCN(Cc2ccc(C#CCCO)cc2)C[C@@H]1CCO	ZINC000023358885	570300209	/nfs/dbraw/zinc/30/02/09/570300209.db2.gz	ICCAGKUWRSEODX-VWLOTQADSA-N	1	0	392.543	2.798	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCCOCC)C2	ZINC000014740876	209166055	/nfs/dbraw/zinc/16/60/55/209166055.db2.gz	MQOWNMCNAJSYCZ-GOSISDBHSA-N	1	0	388.556	2.959	50	30		GFEARO
CO[C@@H]1CC[N@H+](CCOc2ccccc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1	ZINC000096006535	211293038	/nfs/dbraw/zinc/29/30/38/211293038.db2.gz	LNECPKLFLRUJNZ-QZTJIDSGSA-N	1	0	389.496	2.941	50	30		GFEARO
COc1ccc(C[N@@H+]2CCN(CC#Cc3ccccc3)C[C@@H]2CCO)cc1C	ZINC000096794694	533561117	/nfs/dbraw/zinc/56/11/17/533561117.db2.gz	NMIRJINEXSUNDP-QHCPKHFHSA-N	1	0	378.516	2.924	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000102876412	520651746	/nfs/dbraw/zinc/65/17/46/520651746.db2.gz	KKWRATWOIBEUTO-LFVOPCPISA-N	1	0	397.450	2.984	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019582789	521757904	/nfs/dbraw/zinc/75/79/04/521757904.db2.gz	ZBDVBFIPGYHCMX-GOSISDBHSA-N	1	0	395.415	2.735	50	30		GFEARO
COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CC1=C(c3ccccc3)CCC1=O)C2	ZINC000095386993	523888244	/nfs/dbraw/zinc/88/82/44/523888244.db2.gz	HXZCIOZROXPCFE-IEBWSBKVSA-N	1	0	382.504	2.762	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000005576859	524106485	/nfs/dbraw/zinc/10/64/85/524106485.db2.gz	MQDWRRKLSGTPRN-LFVOPCPISA-N	1	0	398.434	2.818	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000018130132	524112939	/nfs/dbraw/zinc/11/29/39/524112939.db2.gz	RECOENDLZRKGEN-LJQANCHMSA-N	1	0	380.444	2.835	50	30		GFEARO
Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1	ZINC000013728190	526482646	/nfs/dbraw/zinc/48/26/46/526482646.db2.gz	YTIRZNSFNLTIEF-SFHVURJKSA-N	1	0	382.464	2.557	50	30		GFEARO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([NH2+]CCC1=CCCCC1)C2	ZINC000014741392	570245723	/nfs/dbraw/zinc/24/57/23/570245723.db2.gz	SZZXNHNLNIWUNJ-IBGZPJMESA-N	1	0	398.551	2.879	50	30		GFEARO
C=CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)[NH+](C)C)cc2C1=O	ZINC000012996628	570410584	/nfs/dbraw/zinc/41/05/84/570410584.db2.gz	WXRRRRCNXYYHPF-LJQANCHMSA-N	1	0	377.444	2.501	50	30		GFEARO
C=C(Cl)COc1nc2cc(F)ccc2cc1C[NH2+]CCN1CCOCC1	ZINC000299795987	570653689	/nfs/dbraw/zinc/65/36/89/570653689.db2.gz	MSLKUMDTZKUIGA-UHFFFAOYSA-N	1	0	379.863	2.927	50	30		GFEARO
N#CCOc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)cc1	ZINC000072314284	570656189	/nfs/dbraw/zinc/65/61/89/570656189.db2.gz	FTWROKWNTOFUKQ-UHFFFAOYSA-N	1	0	394.475	2.867	50	30		GFEARO
COc1ccc(N2CC[NH+](CCCNC(=O)c3cccc(C#N)c3)CC2)cc1	ZINC000032763991	570801203	/nfs/dbraw/zinc/80/12/03/570801203.db2.gz	MNDPMTNHIVTCBR-UHFFFAOYSA-N	1	0	378.476	2.509	50	30		GFEARO
COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CCN(c1nc(C)cc(C)c1C#N)C2	ZINC000095369743	136178393	/nfs/dbraw/zinc/17/83/93/136178393.db2.gz	NMTMZJMHXMJNLK-VIZSFHNOSA-N	1	0	398.551	2.914	50	30		GFEARO
C=CCOc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1OCC	ZINC000022074594	519033716	/nfs/dbraw/zinc/03/37/16/519033716.db2.gz	PQQKKDJEEGMKRQ-UHFFFAOYSA-N	1	0	390.505	2.630	50	30		GFEARO
CC(C)(O)C#C[C@@H](c1ccccc1-c1ccccc1)N1CC[NH+](CCO)CC1	ZINC000096137949	519329423	/nfs/dbraw/zinc/32/94/23/519329423.db2.gz	CONUCAOFTWTMAW-QHCPKHFHSA-N	1	0	378.516	2.779	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccnc2)cc1	ZINC000019582262	523551553	/nfs/dbraw/zinc/55/15/53/523551553.db2.gz	DVHVHJOAURCWFY-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1	ZINC000005445153	524054222	/nfs/dbraw/zinc/05/42/22/524054222.db2.gz	BFXKCBCZXXGXTQ-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102733420	524105106	/nfs/dbraw/zinc/10/51/06/524105106.db2.gz	XEYOYIRIPSHBMS-YDJIHCHBSA-N	1	0	394.471	2.987	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)c1	ZINC000019582268	525783083	/nfs/dbraw/zinc/78/30/83/525783083.db2.gz	ZEEFAMXDVKDNQO-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccs2)c1	ZINC000019582762	525783602	/nfs/dbraw/zinc/78/36/02/525783602.db2.gz	RVXKCIAFFZLEFI-QGZVFWFLSA-N	1	0	386.473	2.897	50	30		GFEARO
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)s1	ZINC000017921219	526688396	/nfs/dbraw/zinc/68/83/96/526688396.db2.gz	IACXLMOTKPXZJJ-MRXNPFEDSA-N	1	0	385.489	2.900	50	30		GFEARO
COC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](C)CC1	ZINC000005248637	570524895	/nfs/dbraw/zinc/52/48/95/570524895.db2.gz	MFGHHKOQGIFDLJ-UHFFFAOYSA-N	1	0	391.475	2.525	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000006787135	570593003	/nfs/dbraw/zinc/59/30/03/570593003.db2.gz	NPBNSIMGFFKPFP-HVESIFNPSA-N	1	0	399.403	2.561	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1	ZINC000006787109	570593084	/nfs/dbraw/zinc/59/30/84/570593084.db2.gz	HHPSABYLQZWHFS-SELCWUDQSA-N	1	0	383.423	2.594	50	30		GFEARO
C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](C3CCCC3)C[C@@H]12	ZINC000169681648	570602171	/nfs/dbraw/zinc/60/21/71/570602171.db2.gz	QYKFXDSEKMJJOS-ICSRJNTNSA-N	1	0	384.480	2.503	50	30		GFEARO
Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccccc1	ZINC000013685041	570668032	/nfs/dbraw/zinc/66/80/32/570668032.db2.gz	AVYYOGSNMVZQQO-IBGZPJMESA-N	1	0	396.491	2.567	50	30		GFEARO
[NH2+]=C(NCc1cc(F)ccc1Br)N1CCN(c2nccs2)CC1	ZINC000095948312	655029988	/nfs/dbraw/zinc/02/99/88/655029988.db2.gz	QZGCKMDEIKEOIM-UHFFFAOYSA-N	1	0	398.305	2.682	50	30		GFEARO
N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)cc1	ZINC000092002143	211212278	/nfs/dbraw/zinc/21/22/78/211212278.db2.gz	LFAYEBORKOONGJ-JOCHJYFZSA-N	1	0	377.492	2.729	50	30		GFEARO
N#Cc1ccc(C(=O)NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)cn1	ZINC000091691726	211202631	/nfs/dbraw/zinc/20/26/31/211202631.db2.gz	ATRCQVDNBMUTCQ-UHFFFAOYSA-N	1	0	378.480	2.618	50	30		GFEARO
C=CCOc1ccc(C[N@H+](C)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1	ZINC000040025005	519032594	/nfs/dbraw/zinc/03/25/94/519032594.db2.gz	WDUWAFQCCUYELC-UHFFFAOYSA-N	1	0	380.448	2.882	50	30		GFEARO
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccn2)cc1	ZINC000020232453	520876299	/nfs/dbraw/zinc/87/62/99/520876299.db2.gz	LZLJTJXHZBADCA-LJQANCHMSA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)cc1C	ZINC000019570997	523560011	/nfs/dbraw/zinc/56/00/11/523560011.db2.gz	NROOYYLBVBOKDK-IBGZPJMESA-N	1	0	395.459	2.539	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000020219594	524055940	/nfs/dbraw/zinc/05/59/40/524055940.db2.gz	NKHJSPCDAZXEPN-SFHVURJKSA-N	1	0	383.423	2.751	50	30		GFEARO
O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1	ZINC000072162708	526336433	/nfs/dbraw/zinc/33/64/33/526336433.db2.gz	VCOPORAPDDMMRQ-IBGZPJMESA-N	1	0	382.504	2.641	50	30		GFEARO
COc1ccc(C(=[NH2+])NOC(=O)c2ccccc2I)cc1	ZINC000005112978	551096476	/nfs/dbraw/zinc/09/64/76/551096476.db2.gz	FOJDIEGKJDLGEO-UHFFFAOYSA-N	1	0	396.184	2.777	50	30		GFEARO
c1ccc2c(c1)nnn2OP(N1CCCC1)(N1CCCC1)=[N+]1CCCC1	ZINC000004262097	560198061	/nfs/dbraw/zinc/19/80/61/560198061.db2.gz	WGNZRLMOMHJUSP-UHFFFAOYSA-N	1	0	375.437	2.825	50	30	in-vitro	GFEARO
C=CCN1CC[C@@]2(CN(Cc3ccnc4ccccc34)CC[N@H+]2C)CCC1=O	ZINC000107401582	570233142	/nfs/dbraw/zinc/23/31/42/570233142.db2.gz	WBXZVISWHDRWME-HSZRJFAPSA-N	1	0	378.520	2.920	50	30		GFEARO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000028837468	570464855	/nfs/dbraw/zinc/46/48/55/570464855.db2.gz	VZDKNTXMMBJLPA-LJQANCHMSA-N	1	0	383.496	2.893	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000005409136	570586463	/nfs/dbraw/zinc/58/64/63/570586463.db2.gz	OJRHFMQCRIWYRG-SELCWUDQSA-N	1	0	384.432	2.580	50	30		GFEARO
C=CCOC[C@H](O)C[NH2+][C@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](C)CC	ZINC000169677849	570597407	/nfs/dbraw/zinc/59/74/07/570597407.db2.gz	GETVPMMIXCAHNG-JOQOYGCGSA-N	1	0	389.452	2.706	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1	ZINC000006812704	570616927	/nfs/dbraw/zinc/61/69/27/570616927.db2.gz	COOIEKOCJNYORT-WOOAAIBNSA-N	1	0	391.427	2.811	50	30		GFEARO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983273	570911671	/nfs/dbraw/zinc/91/16/71/570911671.db2.gz	YHPMCVKCNGDSPW-FGZHOGPDSA-N	1	0	396.462	2.832	50	30		GFEARO
C=CCOc1ccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(C)=O)cc1	ZINC000091779203	570984676	/nfs/dbraw/zinc/98/46/76/570984676.db2.gz	KUZMXPWLZIYEAZ-UHFFFAOYSA-N	1	0	380.492	2.870	50	30		GFEARO
COc1ccc(CN2CCC(C#N)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C	ZINC000095526563	571090987	/nfs/dbraw/zinc/09/09/87/571090987.db2.gz	GGIGQGAZCNWDGC-LJQANCHMSA-N	1	0	375.513	2.511	50	30		GFEARO
C#CCOc1c(Cl)cc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1OC	ZINC000025365129	518317533	/nfs/dbraw/zinc/31/75/33/518317533.db2.gz	YXRFFJHORJXMNO-KRWDZBQOSA-N	1	0	380.916	2.807	50	30		GFEARO
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000019789022	521754202	/nfs/dbraw/zinc/75/42/02/521754202.db2.gz	LZLSKIWGOKHXFI-FQEVSTJZSA-N	1	0	393.487	2.893	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000019789094	521759422	/nfs/dbraw/zinc/75/94/22/521759422.db2.gz	FLGMCHMUMMPENU-GOSISDBHSA-N	1	0	395.415	2.735	50	30		GFEARO
C[N@H+](CCN1CC(=O)C(c2nc3ccccc3s2)=C1N)Cc1ccccc1	ZINC000064838148	522823481	/nfs/dbraw/zinc/82/34/81/522823481.db2.gz	WUCHEWWGUWKRBR-UHFFFAOYSA-N	1	0	378.501	2.940	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F	ZINC000006160684	524054681	/nfs/dbraw/zinc/05/46/81/524054681.db2.gz	VBZKQQBBKOHNLM-GHNGSUTGSA-N	1	0	383.423	2.594	50	30		GFEARO
Cc1cc(C)nc(NC(=[NH2+])N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1	ZINC000054274443	524573993	/nfs/dbraw/zinc/57/39/93/524573993.db2.gz	USRBZGMUXUIMIV-UHFFFAOYSA-N	1	0	378.402	2.881	50	30		GFEARO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1	ZINC000102929423	525215004	/nfs/dbraw/zinc/21/50/04/525215004.db2.gz	DVMLYHAPRGDUKK-LFVOPCPISA-N	1	0	380.444	2.679	50	30		GFEARO
Cc1cc2nc3c(nc2cc1[NH+]=CN(C)C)[nH]c(=O)n(C1CCCCC1)c3=O	ZINC000101321679	525678978	/nfs/dbraw/zinc/67/89/78/525678978.db2.gz	RHFYCSDMZLXFER-SRZZPIQSSA-N	1	0	380.452	2.668	50	30		GFEARO
Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(CO/N=C/c4ccccc4)nc3c12	ZINC000006760305	525683507	/nfs/dbraw/zinc/68/35/07/525683507.db2.gz	ZGAQWNZOLRQGCP-FSJBWODESA-N	1	0	391.479	2.808	50	30		GFEARO
O=C(CC1=C(c2ccccc2)CCC1=O)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1	ZINC000072162709	526335991	/nfs/dbraw/zinc/33/59/91/526335991.db2.gz	VCOPORAPDDMMRQ-LJQANCHMSA-N	1	0	382.504	2.641	50	30		GFEARO
COc1ccccc1N1CC[NH+]([C@H]2CCCN(c3ncccc3C#N)C2)CC1	ZINC000072157197	537071315	/nfs/dbraw/zinc/07/13/15/537071315.db2.gz	WJIHBSRTWYLCRM-IBGZPJMESA-N	1	0	377.492	2.753	50	30		GFEARO
C=C(Cl)Cn1c2cc(C)ccc2cc(C[NH2+]CCCN2CCOCC2)c1=O	ZINC000020166048	570283203	/nfs/dbraw/zinc/28/32/03/570283203.db2.gz	AUHARPOFDXVZCF-UHFFFAOYSA-N	1	0	389.927	2.874	50	30		GFEARO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983276	570911662	/nfs/dbraw/zinc/91/16/62/570911662.db2.gz	YHPMCVKCNGDSPW-FCHUYYIVSA-N	1	0	396.462	2.832	50	30		GFEARO
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN(c2cccc(O)c2)CC1	ZINC000328879241	570962222	/nfs/dbraw/zinc/96/22/22/570962222.db2.gz	VCQBGCFACGFHPN-IBGZPJMESA-N	1	0	380.492	2.703	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H]([NH2+]CCc1ccncc1)C2	ZINC000014731305	212098350	/nfs/dbraw/zinc/09/83/50/212098350.db2.gz	JXGKYWXOKDWMIS-IBGZPJMESA-N	1	0	393.535	2.780	50	30		GFEARO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2	ZINC000014733059	212099981	/nfs/dbraw/zinc/09/99/81/212099981.db2.gz	KLYSKOAQJQZLGX-INIZCTEOSA-N	1	0	376.570	2.751	50	30		GFEARO
C[NH+](C)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1	ZINC000012992910	221253740	/nfs/dbraw/zinc/25/37/40/221253740.db2.gz	AIKRKFPWBHEMNG-HXUWFJFHSA-N	1	0	377.492	2.589	50	30		GFEARO
C=C(Cl)Cn1c(=O)c(C[NH2+]CCCN2CCOCC2)cc2ccc(F)cc21	ZINC000014985495	518653504	/nfs/dbraw/zinc/65/35/04/518653504.db2.gz	DKFUNYFLBIAXSW-UHFFFAOYSA-N	1	0	393.890	2.705	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccncc1	ZINC000006785211	520654547	/nfs/dbraw/zinc/65/45/47/520654547.db2.gz	OTMAZECDBJCPNA-GROYHEBESA-N	1	0	385.489	2.907	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccncc2)c(C)c1	ZINC000018178459	523560784	/nfs/dbraw/zinc/56/07/84/523560784.db2.gz	FQLOTYDAKXOXLS-IBGZPJMESA-N	1	0	395.459	2.539	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccn2)cc1	ZINC000102692754	525944800	/nfs/dbraw/zinc/94/48/00/525944800.db2.gz	WLGYAWJXTLUPJL-WOOAAIBNSA-N	1	0	379.460	2.763	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C)o2)c1	ZINC000019216342	570961883	/nfs/dbraw/zinc/96/18/83/570961883.db2.gz	XXKWIHYGLUIOTM-GOSISDBHSA-N	1	0	384.432	2.737	50	30		GFEARO
COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H](O)c3ccc(C#N)cc3)C2)c1	ZINC000107591171	570974772	/nfs/dbraw/zinc/97/47/72/570974772.db2.gz	COTHDHSNQQKCGM-AVRDEDQJSA-N	1	0	381.476	2.820	50	30		GFEARO
C=C(C)C[N@@H+](CC)[C@@H]1CCc2c(c(C(=O)N3CCOCC3)nn2CC(C)C)C1	ZINC000014748318	212097958	/nfs/dbraw/zinc/09/79/58/212097958.db2.gz	KISCTZYPCBWGSC-GOSISDBHSA-N	1	0	388.556	2.767	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccs2)c1	ZINC000005408702	533383161	/nfs/dbraw/zinc/38/31/61/533383161.db2.gz	FAXODOKXPZFNHB-HVESIFNPSA-N	1	0	386.473	2.740	50	30		GFEARO
C[C@@H](CCNC(=O)c1ccc(-c2ccccc2C#N)cc1)[NH+]1CCN(C)CC1	ZINC000426441668	533603514	/nfs/dbraw/zinc/60/35/14/533603514.db2.gz	ADBQAQAZNUXWPW-SFHVURJKSA-N	1	0	376.504	2.981	50	30		GFEARO
Cc1cc(C)c(C#N)c(N2CCC([N@@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)n1	ZINC000071750956	222189767	/nfs/dbraw/zinc/18/97/67/222189767.db2.gz	KPNJPYDSTVADEZ-QGZVFWFLSA-N	1	0	381.524	2.530	50	30		GFEARO
C=CCC[C@H](C[N@@H+](C)C1CCN(C)CC1)Oc1cc(-n2cccn2)nc(C)n1	ZINC000067431871	222146098	/nfs/dbraw/zinc/14/60/98/222146098.db2.gz	WESIFVVDLODWKS-LJQANCHMSA-N	1	0	384.528	2.710	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CC[NH+](CC)CC1)C2	ZINC000023214946	519286708	/nfs/dbraw/zinc/28/67/08/519286708.db2.gz	SUXSMAXWYSFQQG-LJQANCHMSA-N	1	0	399.583	2.580	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000005445205	570595215	/nfs/dbraw/zinc/59/52/15/570595215.db2.gz	OWXLOONIYNFCLS-SELCWUDQSA-N	1	0	395.415	2.578	50	30		GFEARO
COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCC[N@@H+]1CCCC[C@@H]1C	ZINC000012528473	570833197	/nfs/dbraw/zinc/83/31/97/570833197.db2.gz	TYMYNMIHHIMPRS-JKSUJKDBSA-N	1	0	381.480	2.508	50	30		GFEARO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH+]2CCN(c3ncccc3C#N)CC2)C1	ZINC000067376116	136164599	/nfs/dbraw/zinc/16/45/99/136164599.db2.gz	BSUNRLXAJBGWDY-QGZVFWFLSA-N	1	0	385.512	2.722	50	30		GFEARO
N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1	ZINC000071415627	222184267	/nfs/dbraw/zinc/18/42/67/222184267.db2.gz	QBMCAAVQXDNPDM-NRFANRHFSA-N	1	0	380.536	2.857	50	30		GFEARO
COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cc(C#N)cn3C)C2)cc1	ZINC000095521030	222346501	/nfs/dbraw/zinc/34/65/01/222346501.db2.gz	NOQQPAYJPHRPIU-LJQANCHMSA-N	1	0	394.519	2.932	50	30		GFEARO
CCn1c(Cn2ccnc2)nnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000096139945	222387167	/nfs/dbraw/zinc/38/71/67/222387167.db2.gz	YJWSRCHIBOPKQK-UHFFFAOYSA-N	1	0	375.480	2.794	50	30		GFEARO
C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1	ZINC000014993477	519069724	/nfs/dbraw/zinc/06/97/24/519069724.db2.gz	NVEZXYOUVXFJKM-SFHVURJKSA-N	1	0	383.496	2.818	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccnc1	ZINC000006785330	520653039	/nfs/dbraw/zinc/65/30/39/520653039.db2.gz	CMEJRDKUSROFCK-HVESIFNPSA-N	1	0	385.489	2.907	50	30		GFEARO
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)c1	ZINC000019973885	521317429	/nfs/dbraw/zinc/31/74/29/521317429.db2.gz	ZNCLIKZLHUZVQH-IBGZPJMESA-N	1	0	395.459	2.620	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)cc1	ZINC000005489609	523374508	/nfs/dbraw/zinc/37/45/08/523374508.db2.gz	BVLDNKQOKBFKKJ-LFVOPCPISA-N	1	0	380.444	2.679	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)cc1F	ZINC000013692364	523557628	/nfs/dbraw/zinc/55/76/28/523557628.db2.gz	JHWNORKLIVZHBP-IBGZPJMESA-N	1	0	398.434	2.974	50	30		GFEARO
O=C([C@H]1CCCO1)N1CCC2(CC1)Nc1cccnc1[NH+]=C2NC1CCCC1	ZINC000096309723	526542396	/nfs/dbraw/zinc/54/23/96/526542396.db2.gz	XEEKLAVPNUZUDK-QGZVFWFLSA-N	1	0	383.496	2.800	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccc2)c1	ZINC000020191977	570246432	/nfs/dbraw/zinc/24/64/32/570246432.db2.gz	HJJREANWLCNQNZ-IBGZPJMESA-N	1	0	380.444	2.835	50	30		GFEARO
Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000028837471	570465125	/nfs/dbraw/zinc/46/51/25/570465125.db2.gz	VZDKNTXMMBJLPA-IBGZPJMESA-N	1	0	383.496	2.893	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1	ZINC000005799466	570693072	/nfs/dbraw/zinc/69/30/72/570693072.db2.gz	CJTGXMCAUGUEHI-LFVOPCPISA-N	1	0	379.460	2.845	50	30		GFEARO
C[NH+](C)CCn1c(N)c(-c2nc3ccccc3s2)c2nc(C#N)c(C#N)nc21	ZINC000000943954	570731982	/nfs/dbraw/zinc/73/19/82/570731982.db2.gz	QWNKYVQFVWLNRG-UHFFFAOYSA-N	1	0	388.460	2.595	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000104224655	570898157	/nfs/dbraw/zinc/89/81/57/570898157.db2.gz	GNFFUVUHOXLDLM-GHNGSUTGSA-N	1	0	384.432	2.662	50	30		GFEARO
COc1ccccc1[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)[NH+]1CCCC1	ZINC000083976225	570986337	/nfs/dbraw/zinc/98/63/37/570986337.db2.gz	GQPALKMFQUKDRS-LJQANCHMSA-N	1	0	392.455	2.729	50	30		GFEARO
N#Cc1cc(-c2ccc(C(=O)N3CC[C@@]4(O)CC[NH2+]C[C@H]4C3)cc2)ccc1F	ZINC000426497126	231230558	/nfs/dbraw/zinc/23/05/58/231230558.db2.gz	GPCPSGIUAMYHCI-UGKGYDQZSA-N	1	0	379.435	2.551	50	30		GFEARO
C=CCc1ccc(OC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)c(OC)c1	ZINC000019790702	212106904	/nfs/dbraw/zinc/10/69/04/212106904.db2.gz	IQVQDYRAPICAQE-JOCHJYFZSA-N	1	0	396.531	2.981	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1F	ZINC000005576912	220885186	/nfs/dbraw/zinc/88/51/86/220885186.db2.gz	SFDLJUURWIAPHX-GHNGSUTGSA-N	1	0	386.398	2.948	50	30		GFEARO
N#CCN1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1	ZINC000020001436	570234623	/nfs/dbraw/zinc/23/46/23/570234623.db2.gz	QUXRAJWJDXNANR-UHFFFAOYSA-N	1	0	378.476	2.735	50	30		GFEARO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1	ZINC000036096039	570535646	/nfs/dbraw/zinc/53/56/46/570535646.db2.gz	FCVUBGQDMGMNEM-FQEVSTJZSA-N	1	0	387.451	2.856	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005445231	570595248	/nfs/dbraw/zinc/59/52/48/570595248.db2.gz	OWXLOONIYNFCLS-GHNGSUTGSA-N	1	0	395.415	2.578	50	30		GFEARO
CN(C(=O)C1=CC(=O)CC(C)(C)O1)[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1	ZINC000012440359	570676786	/nfs/dbraw/zinc/67/67/86/570676786.db2.gz	KUONBJJBDBCCIP-SFHVURJKSA-N	1	0	382.504	2.729	50	30		GFEARO
N#Cc1ccccc1NC(=O)C(=O)NCC1CC[NH+](Cc2cccs2)CC1	ZINC000023127519	570912346	/nfs/dbraw/zinc/91/23/46/570912346.db2.gz	UNUSUGYFWSMZCH-UHFFFAOYSA-N	1	0	382.489	2.587	50	30		GFEARO
C=CCN1CC[C@]2(CN(Cc3ccnc4ccccc34)CC[N@H+]2C)CCC1=O	ZINC000091364404	570984027	/nfs/dbraw/zinc/98/40/27/570984027.db2.gz	WBXZVISWHDRWME-QHCPKHFHSA-N	1	0	378.520	2.920	50	30		GFEARO
C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1N1CCOCC1	ZINC000008747302	221055181	/nfs/dbraw/zinc/05/51/81/221055181.db2.gz	AQAYSZYYQSKJNW-UHFFFAOYSA-N	1	0	384.505	2.917	50	30		GFEARO
C=C(C)CN1CC[NH+](C[C@@H](O)CON=C2c3ccccc3-c3ccccc32)CC1	ZINC000019891800	518605079	/nfs/dbraw/zinc/60/50/79/518605079.db2.gz	XGLCTIBCAKEPDC-LJQANCHMSA-N	1	0	391.515	2.991	50	30		GFEARO
COc1ccc(C(=[NH2+])NOC(=O)COc2ccc(Br)cc2)cc1	ZINC000004680664	523366304	/nfs/dbraw/zinc/36/63/04/523366304.db2.gz	KLSYDHVVTHDBGK-UHFFFAOYSA-N	1	0	379.210	2.700	50	30		GFEARO
C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019882949	524054776	/nfs/dbraw/zinc/05/47/76/524054776.db2.gz	APTXIQRTMIIXFL-KRWDZBQOSA-N	1	0	399.403	2.718	50	30		GFEARO
COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccco1	ZINC000013719038	524295578	/nfs/dbraw/zinc/29/55/78/524295578.db2.gz	NZYSYLUTUNACPG-QGZVFWFLSA-N	1	0	388.395	2.567	50	30		GFEARO
OCCC#Cc1ccc(CN2CC[N@H+](Cc3cccs3)[C@H](CCO)C2)cc1	ZINC000104521527	570260159	/nfs/dbraw/zinc/26/01/59/570260159.db2.gz	WUSIPVTULJQXGU-OAQYLSRUSA-N	1	0	384.545	2.551	50	30		GFEARO
CN1c2ccccc2N(C2CCN(Cc3ccc(C#N)cc3)CC2)S1(=O)=O	ZINC000575414224	570303768	/nfs/dbraw/zinc/30/37/68/570303768.db2.gz	ZWHFRXWLKHZSNJ-UHFFFAOYSA-N	1	0	382.489	2.724	50	30		GFEARO
C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)cc2C1=O	ZINC000031545724	570311950	/nfs/dbraw/zinc/31/19/50/570311950.db2.gz	QZSRJFUGYISXQQ-INIZCTEOSA-N	1	0	383.473	2.563	50	30		GFEARO
C=CCOC[C@H](O)C[NH2+][C@@H](c1nc(-c2ccc3c(c2)OCO3)no1)[C@@H](C)CC	ZINC000169677848	570597366	/nfs/dbraw/zinc/59/73/66/570597366.db2.gz	GETVPMMIXCAHNG-JCKWVBRZSA-N	1	0	389.452	2.706	50	30		GFEARO
COc1ccc(NC(=O)[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1	ZINC000001834249	230823219	/nfs/dbraw/zinc/82/32/19/230823219.db2.gz	XQBVKQBPRQINMH-GOSISDBHSA-O	1	0	385.440	2.745	50	30		GFEARO
C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2	ZINC000014732712	212098605	/nfs/dbraw/zinc/09/86/05/212098605.db2.gz	JRXQDWONZVMCTK-GOSISDBHSA-N	1	0	396.560	2.905	50	30		GFEARO
C=CCC[C@@H](C[N@@H+](C)C1CCN(C)CC1)Oc1cc(-n2cccn2)nc(C)n1	ZINC000067431868	222146061	/nfs/dbraw/zinc/14/60/61/222146061.db2.gz	WESIFVVDLODWKS-IBGZPJMESA-N	1	0	384.528	2.710	50	30		GFEARO
CC(C)(O)C#C[C@H](c1ccccc1-c1ccccc1)N1CC[NH+](CCO)CC1	ZINC000096137950	519330333	/nfs/dbraw/zinc/33/03/33/519330333.db2.gz	CONUCAOFTWTMAW-HSZRJFAPSA-N	1	0	378.516	2.779	50	30		GFEARO
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccncc2)cc1	ZINC000102930688	525941514	/nfs/dbraw/zinc/94/15/14/525941514.db2.gz	CGAVYHDCPFDMIH-LFVOPCPISA-N	1	0	379.460	2.763	50	30		GFEARO
C=CCN1CC2(CCC1=O)CC[NH+](CCC(=O)NCc1ccc(F)cc1)CC2	ZINC000091644902	526414444	/nfs/dbraw/zinc/41/44/44/526414444.db2.gz	OTGNDFPFGBIESZ-UHFFFAOYSA-N	1	0	387.499	2.723	50	30		GFEARO
COc1ccc(C(=[NH2+])NOC(=O)c2ccc(I)cc2)cc1	ZINC000005111943	551096499	/nfs/dbraw/zinc/09/64/99/551096499.db2.gz	DFFZEVDURIKCPP-UHFFFAOYSA-N	1	0	396.184	2.777	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005445192	570594996	/nfs/dbraw/zinc/59/49/96/570594996.db2.gz	SIJFFLQFDFGZFV-SELCWUDQSA-N	1	0	395.415	2.578	50	30		GFEARO
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccnc2)c1	ZINC000013065769	570744553	/nfs/dbraw/zinc/74/45/53/570744553.db2.gz	ZWCBZDOLMLDGDT-IBGZPJMESA-N	1	0	379.460	2.838	50	30		GFEARO
C[NH+](C)[C@H]1CCc2cc(Br)ccc2N(C(=O)CSCC#N)C1	ZINC000857881851	662093603	/nfs/dbraw/zinc/09/36/03/662093603.db2.gz	CMDUMBDGEKYHJA-AWEZNQCLSA-N	1	0	382.327	2.915	50	30		GFEARO
N#Cc1ccc(-c2ccc(C(=O)NCCC[N@H+]3CCCC[C@H]3CO)cc2)cn1	ZINC000426510116	231232177	/nfs/dbraw/zinc/23/21/77/231232177.db2.gz	KJHJHKFKBZGULQ-NRFANRHFSA-N	1	0	378.476	2.587	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCCOC(C)C)C2	ZINC000014537019	212098312	/nfs/dbraw/zinc/09/83/12/212098312.db2.gz	VWVPVBUNMKJIKL-GOSISDBHSA-N	1	0	388.556	2.957	50	30		GFEARO
N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCc3c[nH]cn3)C2)C1	ZINC000082146501	222311154	/nfs/dbraw/zinc/31/11/54/222311154.db2.gz	GWSSHLGDLAIIAH-JOCHJYFZSA-N	1	0	377.492	2.729	50	30		GFEARO
C=CCOc1c(Cl)cc(C[NH2+]CCn2c(C)cc(C)nc2=O)cc1OC	ZINC000065507614	519003682	/nfs/dbraw/zinc/00/36/82/519003682.db2.gz	UNOOMXYKWGXDQT-UHFFFAOYSA-N	1	0	377.872	2.877	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1cccc(OC)c1)C2	ZINC000019219951	519286394	/nfs/dbraw/zinc/28/63/94/519286394.db2.gz	FTSKIFQIIFEFDS-GOSISDBHSA-N	1	0	394.519	2.961	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1	ZINC000102879788	520653918	/nfs/dbraw/zinc/65/39/18/520653918.db2.gz	UAHDBZAZEIJCEZ-WOOAAIBNSA-N	1	0	397.450	2.984	50	30		GFEARO
COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccccn2)cc1C	ZINC000017057364	523554665	/nfs/dbraw/zinc/55/46/65/523554665.db2.gz	ACHAWQBFPICZPO-IBGZPJMESA-N	1	0	395.459	2.539	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000102689074	524169344	/nfs/dbraw/zinc/16/93/44/524169344.db2.gz	UUXBKRLJOISNDB-WOOAAIBNSA-N	1	0	380.444	2.679	50	30		GFEARO
COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC[NH+](C)C)c1	ZINC000008914995	524170128	/nfs/dbraw/zinc/17/01/28/524170128.db2.gz	UXRVEIZOMJYQFR-SFHVURJKSA-N	1	0	384.432	2.737	50	30		GFEARO
C=CCn1c(S[C@H](CC)C(=O)NC2CCCC2)nnc1C1CC[NH2+]CC1	ZINC000426484384	527347229	/nfs/dbraw/zinc/34/72/29/527347229.db2.gz	CHCQWBLBYFTOGC-MRXNPFEDSA-N	1	0	377.558	2.861	50	30		GFEARO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(c5ncccn5)CC4)[C@H]3C[C@@H]12	ZINC000061997754	570553860	/nfs/dbraw/zinc/55/38/60/570553860.db2.gz	XYKSVNDXUQWESH-DUXQTRJFSA-N	1	0	396.535	2.913	50	30		GFEARO
C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)N[C@H](C)C(C)C	ZINC000032777081	570799547	/nfs/dbraw/zinc/79/95/47/570799547.db2.gz	UTRSSDOZHYBRQN-MRXNPFEDSA-N	1	0	379.574	2.745	50	30		GFEARO
N#Cc1ccc(F)c(CS(=O)(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000089834911	570916644	/nfs/dbraw/zinc/91/66/44/570916644.db2.gz	LVZRMHBEHQXSPL-UHFFFAOYSA-N	1	0	387.480	2.781	50	30		GFEARO
C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C	ZINC000089920295	570919683	/nfs/dbraw/zinc/91/96/83/570919683.db2.gz	QUZFHHKGVIRROM-IKGGRYGDSA-N	1	0	392.544	2.953	50	30		GFEARO
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC#CCN1CC[NH+](C3CCCCC3)CC1)C2=O	ZINC000019367646	212105061	/nfs/dbraw/zinc/10/50/61/212105061.db2.gz	OFYIZRQERTTYDL-GBXCKJPGSA-N	1	0	399.579	2.751	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccncc1	ZINC000006812707	220967003	/nfs/dbraw/zinc/96/70/03/220967003.db2.gz	DYEFGEWSZWVNCV-WOOAAIBNSA-N	1	0	391.427	2.811	50	30		GFEARO
CC(C)[NH+](CC#CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C	ZINC000077197634	222276143	/nfs/dbraw/zinc/27/61/43/222276143.db2.gz	AWEHANDDCMUFQD-UHFFFAOYSA-N	1	0	392.443	2.986	50	30		GFEARO
C=CC[N@@H+]1CCC[C@H]1C(=O)N1CCc2onc(-c3ccc4c(c3)OCO4)c2C1	ZINC000067755323	518858655	/nfs/dbraw/zinc/85/86/55/518858655.db2.gz	UGCYOVSGZPWISE-INIZCTEOSA-N	1	0	381.432	2.605	50	30		GFEARO
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1	ZINC000102494652	520654710	/nfs/dbraw/zinc/65/47/10/520654710.db2.gz	BAMQKOALNWOEKD-LFVOPCPISA-N	1	0	379.460	2.845	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1	ZINC000019882791	521755135	/nfs/dbraw/zinc/75/51/35/521755135.db2.gz	OLIKXOFGXTVKCJ-KRWDZBQOSA-N	1	0	385.851	2.875	50	30		GFEARO
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1CC[NH+](C)C	ZINC000019880427	524803346	/nfs/dbraw/zinc/80/33/46/524803346.db2.gz	KICURQRJGSBVGS-IBGZPJMESA-N	1	0	380.444	2.835	50	30		GFEARO
COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1	ZINC000013570401	525391889	/nfs/dbraw/zinc/39/18/89/525391889.db2.gz	UFNJKDSMTQEBLS-SFHVURJKSA-N	1	0	384.432	2.818	50	30		GFEARO
C=CCN1CC[C@@]2(CN(Cc3ccc4ccccc4n3)CC[N@H+]2C)CCC1=O	ZINC000107408701	570233320	/nfs/dbraw/zinc/23/33/20/570233320.db2.gz	CNHJWELNFPEPDZ-HSZRJFAPSA-N	1	0	378.520	2.920	50	30		GFEARO
C[NH+](C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1	ZINC000020150162	570244470	/nfs/dbraw/zinc/24/44/70/570244470.db2.gz	CTXDZMPUINOWHS-LJQANCHMSA-N	1	0	391.427	2.968	50	30		GFEARO
C=CCn1nc(C(=O)N2CCCCC2)c2c1CC[C@@H]([NH2+]CCc1ccncc1)C2	ZINC000014731307	570246074	/nfs/dbraw/zinc/24/60/74/570246074.db2.gz	JXGKYWXOKDWMIS-LJQANCHMSA-N	1	0	393.535	2.780	50	30		GFEARO
COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2)c1	ZINC000020191973	570246658	/nfs/dbraw/zinc/24/66/58/570246658.db2.gz	HJJREANWLCNQNZ-LJQANCHMSA-N	1	0	380.444	2.835	50	30		GFEARO
O=C(C[n+]1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc([N+](=O)[O-])c1	ZINC000003168309	570331212	/nfs/dbraw/zinc/33/12/12/570331212.db2.gz	LPSCVQILOPVZAB-UHFFFAOYSA-N	1	0	378.412	2.750	50	30		GFEARO
CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1	ZINC000002393952	570482225	/nfs/dbraw/zinc/48/22/25/570482225.db2.gz	FVDICPYKECYOPI-DLBZAZTESA-N	1	0	395.507	2.968	50	30		GFEARO
CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1	ZINC000002393949	570482312	/nfs/dbraw/zinc/48/23/12/570482312.db2.gz	FVDICPYKECYOPI-SJORKVTESA-N	1	0	395.507	2.968	50	30		GFEARO
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cccs1	ZINC000023106606	570905405	/nfs/dbraw/zinc/90/54/05/570905405.db2.gz	MHCXTKDDXNAFLF-AWEZNQCLSA-N	1	0	376.869	2.631	50	30		GFEARO
C=CCN1CC2(CCC1=O)CCN(C(=O)[C@H]1Cc3ccccc3C[N@H+]1CC)CC2	ZINC000091461383	570983511	/nfs/dbraw/zinc/98/35/11/570983511.db2.gz	CKPRPOGYWZPDHJ-OAQYLSRUSA-N	1	0	395.547	2.850	50	30		GFEARO
C=CCn1cc(C[NH+]2CCC3(CCC(=O)N(Cc4cccnc4)C3)CC2)cn1	ZINC000091350766	570984241	/nfs/dbraw/zinc/98/42/41/570984241.db2.gz	HAPFHITUIBSGPW-UHFFFAOYSA-N	1	0	379.508	2.869	50	30		GFEARO