smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1ccccc1C#N	ZINC000056162147	850264997	/nfs/dbraw/zinc/26/49/97/850264997.db2.gz	OKRUHUYIKPGFQW-AQNXPRMDSA-N	2	0	404.558	4.153	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OC	ZINC000303911806	855284793	/nfs/dbraw/zinc/28/47/93/855284793.db2.gz	ZVJJBLCCQOMTIP-HDICACEKSA-N	2	0	410.562	4.109	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc1	ZINC000304764846	855358610	/nfs/dbraw/zinc/35/86/10/855358610.db2.gz	YNTGRRSFXQAYOQ-IBGZPJMESA-N	2	0	410.562	4.100	20	30		HIEDRP
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1	ZINC000507649823	916411592	/nfs/dbraw/zinc/41/15/92/916411592.db2.gz	MYHKEFWJUTVMNC-UHFFFAOYSA-N	2	0	403.570	4.137	20	30		HIEDRP
C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000508719645	917483207	/nfs/dbraw/zinc/48/32/07/917483207.db2.gz	LGNJJGDOKKDGQC-VXPHMXNRSA-N	2	0	404.558	4.143	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000525761335	930435231	/nfs/dbraw/zinc/43/52/31/930435231.db2.gz	XNTKSMWCRBSYDU-NRFANRHFSA-N	2	0	404.558	4.097	20	30		HIEDRP
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000548483240	941108128	/nfs/dbraw/zinc/10/81/28/941108128.db2.gz	JAPGHKCOXZJLGT-PMOQBDJRSA-N	2	0	406.549	4.166	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1	ZINC000550262692	941305391	/nfs/dbraw/zinc/30/53/91/941305391.db2.gz	OBLCDGMHEGTXMZ-DEOSSOPVSA-N	2	0	406.570	4.270	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC	ZINC000237216061	853984361	/nfs/dbraw/zinc/98/43/61/853984361.db2.gz	XAHOXKPWZHNWSO-PMACEKPBSA-N	2	0	410.558	4.159	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000237332956	854008438	/nfs/dbraw/zinc/00/84/38/854008438.db2.gz	SSRQHPLOMBRISV-LJQANCHMSA-N	2	0	410.537	4.111	20	30		HIEDRP
N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c1	ZINC000237856362	854108500	/nfs/dbraw/zinc/10/85/00/854108500.db2.gz	TXLYNGGGZUTMBQ-UHFFFAOYSA-N	2	0	402.567	4.232	20	30		HIEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2C[NH+]2CCCCC2)c1	ZINC000303785462	855197800	/nfs/dbraw/zinc/19/78/00/855197800.db2.gz	QLRHNJJAXRZCIL-UHFFFAOYSA-N	2	0	410.562	4.397	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)CC1	ZINC000502760294	911783155	/nfs/dbraw/zinc/78/31/55/911783155.db2.gz	BOOGSYLKRBEXCB-FQEVSTJZSA-N	2	0	400.611	4.236	20	30		HIEDRP
CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1	ZINC000507969516	916821211	/nfs/dbraw/zinc/82/12/11/916821211.db2.gz	WQFLEJCNQNSHGZ-QGZVFWFLSA-N	2	0	416.635	4.127	20	30		HIEDRP
CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1	ZINC000507969514	916821771	/nfs/dbraw/zinc/82/17/71/916821771.db2.gz	WQFLEJCNQNSHGZ-KRWDZBQOSA-N	2	0	416.635	4.127	20	30		HIEDRP
CC(C)[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000514008157	922331505	/nfs/dbraw/zinc/33/15/05/922331505.db2.gz	BWGRSORNBALLBL-UHFFFAOYSA-N	2	0	402.608	4.022	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1	ZINC000515522805	923153130	/nfs/dbraw/zinc/15/31/30/923153130.db2.gz	KBQKSISFZXIEIC-AQNXPRMDSA-N	2	0	404.558	4.153	20	30		HIEDRP
COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391220	931042071	/nfs/dbraw/zinc/04/20/71/931042071.db2.gz	ZQYSUFSIOOSOAA-OFNKIYASSA-N	2	0	407.558	4.378	20	30		HIEDRP
CN(c1ccccc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1	ZINC000539703929	938907263	/nfs/dbraw/zinc/90/72/63/938907263.db2.gz	HOFNMLCVHSVHTR-UHFFFAOYSA-N	2	0	415.503	4.377	20	30		HIEDRP
C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1	ZINC000543770428	940180918	/nfs/dbraw/zinc/18/09/18/940180918.db2.gz	IYNAJHPYWYKARO-QFQXNSOFSA-N	2	0	402.586	4.165	20	30		HIEDRP
C=CCOc1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000549868145	941220681	/nfs/dbraw/zinc/22/06/81/941220681.db2.gz	OVVUWTYKBNJFPY-DEOSSOPVSA-N	2	0	406.570	4.270	20	30		HIEDRP
Cc1ccc(C2CC[NH+](CC#CC[NH+]3CCC(c4ccc(C)nc4)CC3)CC2)cn1	ZINC000551705284	941530194	/nfs/dbraw/zinc/53/01/94/941530194.db2.gz	VRRKXIZOTKKYSF-UHFFFAOYSA-N	2	0	402.586	4.156	20	30		HIEDRP
C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1	ZINC000237635579	854065568	/nfs/dbraw/zinc/06/55/68/854065568.db2.gz	QAMHDVCRKDPVCF-SFTDATJTSA-N	2	0	407.558	4.268	20	30		HIEDRP
[NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000303871089	855262517	/nfs/dbraw/zinc/26/25/17/855262517.db2.gz	FQUJJIRUNABBCQ-UHFFFAOYSA-N	2	0	412.481	4.286	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OC	ZINC000303911815	855284757	/nfs/dbraw/zinc/28/47/57/855284757.db2.gz	ZVJJBLCCQOMTIP-ROUUACIJSA-N	2	0	410.562	4.109	20	30		HIEDRP
C[C@H]([NH2+]C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1)c1ccccc1	ZINC000304759446	855357493	/nfs/dbraw/zinc/35/74/93/855357493.db2.gz	RFZAMSVUFWPVJW-SFHVURJKSA-N	2	0	408.546	4.238	20	30		HIEDRP
CN1CCC(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)([NH+]2CCCCC2)CC1	ZINC000304806146	855358831	/nfs/dbraw/zinc/35/88/31/855358831.db2.gz	RXGCXZGDXYMIHG-UHFFFAOYSA-N	2	0	421.589	4.156	20	30		HIEDRP
C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125229	860651997	/nfs/dbraw/zinc/65/19/97/860651997.db2.gz	VXHFWLDBUIKYFL-NRFANRHFSA-N	2	0	420.605	4.335	20	30		HIEDRP
CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1	ZINC000490435990	904008600	/nfs/dbraw/zinc/00/86/00/904008600.db2.gz	RAJIBMDDUCDTNH-QHCPKHFHSA-N	2	0	413.569	4.303	20	30		HIEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000512829925	921334469	/nfs/dbraw/zinc/33/44/69/921334469.db2.gz	VVXOQYFNKVLTAD-UHFFFAOYSA-N	2	0	416.491	4.269	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161930	908516432	/nfs/dbraw/zinc/51/64/32/908516432.db2.gz	OTQGDCICQNIBOL-YCAMKHIRSA-N	2	0	418.560	4.451	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1	ZINC000521880135	929530658	/nfs/dbraw/zinc/53/06/58/929530658.db2.gz	HEZCWDQGYFZFMI-QFIPXVFZSA-N	2	0	419.013	4.034	20	30		HIEDRP
N#Cc1ccc(CN2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1	ZINC000538395419	938610497	/nfs/dbraw/zinc/61/04/97/938610497.db2.gz	NEKPSHFQVQNTTL-COZMKHHLSA-N	2	0	414.597	4.308	20	30		HIEDRP
CC[NH+](CC)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1	ZINC000539499617	938869088	/nfs/dbraw/zinc/86/90/88/938869088.db2.gz	IYVHWQYNJIEBJV-SANMLTNESA-N	2	0	404.602	4.065	20	30		HIEDRP
N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2	ZINC000556231441	942823076	/nfs/dbraw/zinc/82/30/76/942823076.db2.gz	AIOXWYHPUAXQDS-ILBGXUMGSA-N	2	0	401.554	4.064	20	30		HIEDRP
C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000557782050	943289981	/nfs/dbraw/zinc/28/99/81/943289981.db2.gz	JDVCNRZAIDKACG-INIZCTEOSA-N	2	0	402.464	4.180	20	30		HIEDRP
C#CCCOc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1	ZINC000236982236	853946579	/nfs/dbraw/zinc/94/65/79/853946579.db2.gz	JKZBKOBPTOKHNU-HXUWFJFHSA-N	2	0	409.549	4.221	20	30		HIEDRP
[NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccc(OC(F)(F)F)cc1	ZINC000303783263	855195911	/nfs/dbraw/zinc/19/59/11/855195911.db2.gz	OELLDRRIXUEAHM-UHFFFAOYSA-N	2	0	406.452	4.498	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1	ZINC000303870959	855262650	/nfs/dbraw/zinc/26/26/50/855262650.db2.gz	BMNVGRUHCSKNCX-KDURUIRLSA-N	2	0	410.562	4.010	20	30		HIEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1	ZINC000303893552	855273986	/nfs/dbraw/zinc/27/39/86/855273986.db2.gz	RYSOOUZLJIGKRJ-KRWDZBQOSA-N	2	0	416.591	4.184	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000304756553	855357357	/nfs/dbraw/zinc/35/73/57/855357357.db2.gz	NTXZJAZVPJTGML-APWZRJJASA-N	2	0	424.536	4.297	20	30		HIEDRP
C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000492662850	904884727	/nfs/dbraw/zinc/88/47/27/904884727.db2.gz	YSCVPJJLJGXJTB-HXUWFJFHSA-N	2	0	411.615	4.427	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1	ZINC000515522811	923153401	/nfs/dbraw/zinc/15/34/01/923153401.db2.gz	KBQKSISFZXIEIC-ZCNNSNEGSA-N	2	0	404.558	4.153	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](CC)CC)CC1	ZINC000520696143	928743672	/nfs/dbraw/zinc/74/36/72/928743672.db2.gz	YMFFCADEWVKWST-OAQYLSRUSA-N	2	0	407.002	4.063	20	30		HIEDRP
C[C@@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000539509076	938870882	/nfs/dbraw/zinc/87/08/82/938870882.db2.gz	SRLILKPBRZGVMG-ATIYNZHBSA-N	2	0	416.613	4.413	20	30		HIEDRP
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000548483242	941107674	/nfs/dbraw/zinc/10/76/74/941107674.db2.gz	JAPGHKCOXZJLGT-WWPVKYPJSA-N	2	0	406.549	4.166	20	30		HIEDRP
C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1	ZINC000564416080	945568851	/nfs/dbraw/zinc/56/88/51/945568851.db2.gz	XFLWSTNJXZWRTP-IRXDYDNUSA-N	2	0	417.475	4.476	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000236981475	853946646	/nfs/dbraw/zinc/94/66/46/853946646.db2.gz	QHGSSDITOQFXCY-HXUWFJFHSA-N	2	0	423.580	4.168	20	30		HIEDRP
C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)O1	ZINC000237404688	854024545	/nfs/dbraw/zinc/02/45/45/854024545.db2.gz	SGFRWXUISJUUEF-NHCUHLMSSA-N	2	0	407.558	4.116	20	30		HIEDRP
C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2	ZINC000303771590	855189040	/nfs/dbraw/zinc/18/90/40/855189040.db2.gz	CSRKWKWUWZRIAJ-GOSISDBHSA-N	2	0	408.546	4.149	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1	ZINC000303870961	855262634	/nfs/dbraw/zinc/26/26/34/855262634.db2.gz	BMNVGRUHCSKNCX-OALUTQOASA-N	2	0	410.562	4.010	20	30		HIEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1	ZINC000303893557	855274867	/nfs/dbraw/zinc/27/48/67/855274867.db2.gz	RYSOOUZLJIGKRJ-QGZVFWFLSA-N	2	0	416.591	4.184	20	30		HIEDRP
CC(C)c1cccc(NC(=[NH2+])NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1	ZINC000303979830	855333972	/nfs/dbraw/zinc/33/39/72/855333972.db2.gz	NOTHVGPYDFSAQE-UHFFFAOYSA-N	2	0	424.589	4.226	20	30		HIEDRP
C[C@H]([NH2+]C1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCOCC1)c1ccccc1	ZINC000304738728	855357415	/nfs/dbraw/zinc/35/74/15/855357415.db2.gz	AXKXKQLDGCTKQV-IBGZPJMESA-N	2	0	406.574	4.192	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000304753514	855357864	/nfs/dbraw/zinc/35/78/64/855357864.db2.gz	LDOGDKZMPGKVDZ-FPOVZHCZSA-N	2	0	418.507	4.235	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000439557395	864883184	/nfs/dbraw/zinc/88/31/84/864883184.db2.gz	MBWCFHCKRDLWNA-VXKWHMMOSA-N	2	0	418.585	4.486	20	30		HIEDRP
C=CCOc1ccccc1C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1	ZINC000462728174	875804319	/nfs/dbraw/zinc/80/43/19/875804319.db2.gz	YPZNTUJECXMVMB-UHFFFAOYSA-N	2	0	419.491	4.312	20	30		HIEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(C#N)ccc1Br	ZINC000492750842	904897906	/nfs/dbraw/zinc/89/79/06/904897906.db2.gz	QZJFGCWBCHMMDV-UHFFFAOYSA-N	2	0	413.363	4.454	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161929	908516516	/nfs/dbraw/zinc/51/65/16/908516516.db2.gz	OTQGDCICQNIBOL-XQUALCHDSA-N	2	0	418.560	4.451	20	30		HIEDRP
CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1	ZINC000532950175	931708066	/nfs/dbraw/zinc/70/80/66/931708066.db2.gz	RSGHBBFAKLCLBT-KRWDZBQOSA-N	2	0	416.635	4.125	20	30		HIEDRP
CC(C)[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1	ZINC000532950176	931708310	/nfs/dbraw/zinc/70/83/10/931708310.db2.gz	RSGHBBFAKLCLBT-QGZVFWFLSA-N	2	0	416.635	4.125	20	30		HIEDRP
CN(c1ccccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1	ZINC000535840980	933426219	/nfs/dbraw/zinc/42/62/19/933426219.db2.gz	QQKOPLFCZYGXJE-UHFFFAOYSA-N	2	0	400.570	4.378	20	30		HIEDRP
C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891607	944078011	/nfs/dbraw/zinc/07/80/11/944078011.db2.gz	DGSWRXPTJVXAQG-XXBNENTESA-N	2	0	407.533	4.277	20	30		HIEDRP
[NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1OC(F)(F)F	ZINC000305219789	855359777	/nfs/dbraw/zinc/35/97/77/855359777.db2.gz	JDQZINMEXPKPLO-CQSZACIVSA-N	2	0	412.481	4.286	20	30		HIEDRP
Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c3ccccc3)CC2)cc1	ZINC000433030003	859489711	/nfs/dbraw/zinc/48/97/11/859489711.db2.gz	UWHVWJWNJLLZJM-VWLOTQADSA-N	2	0	418.585	4.054	20	30		HIEDRP
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@H]1CCCC[NH+]1C	ZINC000441357420	866426949	/nfs/dbraw/zinc/42/69/49/866426949.db2.gz	NQEUXSGWZBIXHZ-QGZVFWFLSA-N	2	0	402.608	4.023	20	30		HIEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000444667203	868946368	/nfs/dbraw/zinc/94/63/68/868946368.db2.gz	SIHSNEZJBQZKBP-DSITVLBTSA-N	2	0	403.570	4.070	20	30		HIEDRP
CC[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531062	871396043	/nfs/dbraw/zinc/39/60/43/871396043.db2.gz	PTLFYCGFKNCLKT-RUZDIDTESA-N	2	0	407.558	4.289	20	30		HIEDRP
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000478055528	893208790	/nfs/dbraw/zinc/20/87/90/893208790.db2.gz	RPJQAXHLHPBCFI-FCHUYYIVSA-N	2	0	410.606	4.298	20	30		HIEDRP
C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000495373214	906410587	/nfs/dbraw/zinc/41/05/87/906410587.db2.gz	DIOYCCWFJPGIAD-PXDATVDWSA-N	2	0	402.586	4.023	20	30		HIEDRP
C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000512599716	921254852	/nfs/dbraw/zinc/25/48/52/921254852.db2.gz	IFSMEQSDKIWYEI-UHFFFAOYSA-N	2	0	418.585	4.367	20	30		HIEDRP
C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000525858727	930469316	/nfs/dbraw/zinc/46/93/16/930469316.db2.gz	YAEOQRGNUBKNJS-VXPHMXNRSA-N	2	0	404.558	4.143	20	30		HIEDRP
C[C@@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000539509078	938870870	/nfs/dbraw/zinc/87/08/70/938870870.db2.gz	SRLILKPBRZGVMG-GJZUVCINSA-N	2	0	416.613	4.413	20	30		HIEDRP
CC(C)[NH+]1CCN(c2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)CC1	ZINC000540744854	939356357	/nfs/dbraw/zinc/35/63/57/939356357.db2.gz	VZNRKKOOSKWIFG-UHFFFAOYSA-N	2	0	417.601	4.165	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000236982325	853946632	/nfs/dbraw/zinc/94/66/32/853946632.db2.gz	DGQMIYMWSUXAIH-RBUKOAKNSA-N	2	0	410.537	4.109	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC	ZINC000237216409	853984511	/nfs/dbraw/zinc/98/45/11/853984511.db2.gz	XAHOXKPWZHNWSO-BGYRXZFFSA-N	2	0	410.558	4.159	20	30		HIEDRP
C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1	ZINC000303892037	855272750	/nfs/dbraw/zinc/27/27/50/855272750.db2.gz	NJAJLXQSCZMCSK-GOSISDBHSA-N	2	0	408.546	4.007	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]1c1cccs1	ZINC000304786244	855358983	/nfs/dbraw/zinc/35/89/83/855358983.db2.gz	IKOVTCXQYLOQPF-DYVFJYSZSA-N	2	0	412.481	4.456	20	30		HIEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000444667206	868945762	/nfs/dbraw/zinc/94/57/62/868945762.db2.gz	SIHSNEZJBQZKBP-SDHSZQHLSA-N	2	0	403.570	4.070	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170110	884448237	/nfs/dbraw/zinc/44/82/37/884448237.db2.gz	OTQGDCICQNIBOL-KWDCZQRMSA-N	2	0	418.560	4.451	20	30		HIEDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1	ZINC000481919451	897304537	/nfs/dbraw/zinc/30/45/37/897304537.db2.gz	RYBMEEZEIMTXHB-SANMLTNESA-N	2	0	402.586	4.253	20	30		HIEDRP
C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC	ZINC000516686127	923844186	/nfs/dbraw/zinc/84/41/86/923844186.db2.gz	QKKYRMCXEQCEIZ-GOSISDBHSA-N	2	0	423.395	4.186	20	30		HIEDRP
CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662912	930791438	/nfs/dbraw/zinc/79/14/38/930791438.db2.gz	OADMEKQMFIWTMU-SJORKVTESA-N	2	0	402.608	4.022	20	30		HIEDRP
C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599490	939563843	/nfs/dbraw/zinc/56/38/43/939563843.db2.gz	GWDGRHFWDVLBPZ-IRXDYDNUSA-N	2	0	414.619	4.070	20	30		HIEDRP
N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3C[NH+]3CCSCC3)CC2)cc1	ZINC000541901388	939650178	/nfs/dbraw/zinc/65/01/78/939650178.db2.gz	CVAACUYMAHFXSP-UHFFFAOYSA-N	2	0	406.599	4.184	20	30		HIEDRP
C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1	ZINC000543770427	940181066	/nfs/dbraw/zinc/18/10/66/940181066.db2.gz	IYNAJHPYWYKARO-LVXARBLLSA-N	2	0	402.586	4.165	20	30		HIEDRP
C=CCOc1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2	ZINC000549868146	941220833	/nfs/dbraw/zinc/22/08/33/941220833.db2.gz	OVVUWTYKBNJFPY-XMMPIXPASA-N	2	0	406.570	4.270	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)cc1	ZINC000550262693	941305123	/nfs/dbraw/zinc/30/51/23/941305123.db2.gz	OBLCDGMHEGTXMZ-XMMPIXPASA-N	2	0	406.570	4.270	20	30		HIEDRP
COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cc1	ZINC000237290288	853999674	/nfs/dbraw/zinc/99/96/74/853999674.db2.gz	WEFCCJSBCDSWQH-UHFFFAOYSA-N	2	0	406.574	4.047	20	30		HIEDRP
CC1CC[NH+]([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2cccs2)CC1	ZINC000303789291	855199562	/nfs/dbraw/zinc/19/95/62/855199562.db2.gz	VFPLYXZCHUUPJR-SFHVURJKSA-N	2	0	414.575	4.109	20	30		HIEDRP
[NH2+]=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)Nc1ccc2c(c1)OCCCO2	ZINC000303983914	855336067	/nfs/dbraw/zinc/33/60/67/855336067.db2.gz	ROVBUKSNMWIOKV-UHFFFAOYSA-N	2	0	408.546	4.151	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000304756555	855357819	/nfs/dbraw/zinc/35/78/19/855357819.db2.gz	NTXZJAZVPJTGML-QFBILLFUSA-N	2	0	424.536	4.297	20	30		HIEDRP
Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1C	ZINC000443597901	868152489	/nfs/dbraw/zinc/15/24/89/868152489.db2.gz	CIZWHJRIQHRPQW-UHFFFAOYSA-N	2	0	410.606	4.138	20	30		HIEDRP
N#CC(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)(c1ccccc1)c1ccccc1	ZINC000444602527	868898742	/nfs/dbraw/zinc/89/87/42/868898742.db2.gz	KEKYVWDQLDRUKZ-UHFFFAOYSA-N	2	0	417.597	4.321	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)cc1	ZINC000462725433	875801870	/nfs/dbraw/zinc/80/18/70/875801870.db2.gz	LVXNNIKFEVCVGQ-UHFFFAOYSA-N	2	0	419.491	4.312	20	30		HIEDRP
CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1	ZINC000471240629	885816336	/nfs/dbraw/zinc/81/63/36/885816336.db2.gz	ACYQTVOFIHITMA-WMZHIEFXSA-N	2	0	407.558	4.308	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161927	908516058	/nfs/dbraw/zinc/51/60/58/908516058.db2.gz	OTQGDCICQNIBOL-JLLPCOHGSA-N	2	0	418.560	4.451	20	30		HIEDRP
C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000513668520	921991678	/nfs/dbraw/zinc/99/16/78/921991678.db2.gz	ZTODBMSUAPOBCG-NHCUHLMSSA-N	2	0	402.586	4.273	20	30		HIEDRP
CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1	ZINC000538727723	938693807	/nfs/dbraw/zinc/69/38/07/938693807.db2.gz	REXDCPLHXFFPEB-AZGAKELHSA-N	2	0	402.586	4.489	20	30		HIEDRP
N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2	ZINC000556231468	942823113	/nfs/dbraw/zinc/82/31/13/942823113.db2.gz	AIOXWYHPUAXQDS-UKILVPOCSA-N	2	0	401.554	4.064	20	30		HIEDRP
C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1	ZINC000557547992	943202641	/nfs/dbraw/zinc/20/26/41/943202641.db2.gz	VHURLWSZFFDPNY-RUZDIDTESA-N	2	0	405.586	4.373	20	30		HIEDRP
C[C@@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000573708771	948278543	/nfs/dbraw/zinc/27/85/43/948278543.db2.gz	YGDASGXNVAZSIC-ZJSXRUAMSA-N	2	0	402.586	4.417	20	30		HIEDRP
N#C[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295194	876357082	/nfs/dbraw/zinc/35/70/82/876357082.db2.gz	YKHVYOAXQDPOKH-QUCCMNQESA-N	2	0	408.512	4.280	20	30		HIEDRP
CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1	ZINC000471240627	885816706	/nfs/dbraw/zinc/81/67/06/885816706.db2.gz	ACYQTVOFIHITMA-AUSIDOKSSA-N	2	0	407.558	4.308	20	30		HIEDRP
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)CC2)nc1	ZINC000507465633	916233492	/nfs/dbraw/zinc/23/34/92/916233492.db2.gz	BKLDRZOILPSRQR-MQEXIPMMSA-N	2	0	416.569	4.143	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000514003063	922327920	/nfs/dbraw/zinc/32/79/20/922327920.db2.gz	GKKYBSJJKPMONI-UHFFFAOYSA-N	2	0	412.622	4.019	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000525761336	930435346	/nfs/dbraw/zinc/43/53/46/930435346.db2.gz	XNTKSMWCRBSYDU-OAQYLSRUSA-N	2	0	404.558	4.097	20	30		HIEDRP
C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000525858724	930469464	/nfs/dbraw/zinc/46/94/64/930469464.db2.gz	YAEOQRGNUBKNJS-HLBVYFGSSA-N	2	0	404.558	4.143	20	30		HIEDRP
C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1	ZINC000540455913	939257478	/nfs/dbraw/zinc/25/74/78/939257478.db2.gz	GBOSNVZJCNPHJP-HSZRJFAPSA-N	2	0	409.599	4.471	20	30		HIEDRP
N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2	ZINC000556231459	942823285	/nfs/dbraw/zinc/82/32/85/942823285.db2.gz	AIOXWYHPUAXQDS-NOZRDPDXSA-N	2	0	401.554	4.064	20	30		HIEDRP
C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000561191331	944507934	/nfs/dbraw/zinc/50/79/34/944507934.db2.gz	AIODJOYOLFRJMF-FQEVSTJZSA-N	2	0	409.496	4.045	20	30		HIEDRP
CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(O[C@H](C#N)CC)c2)CC1	ZINC000236803361	853924573	/nfs/dbraw/zinc/92/45/73/853924573.db2.gz	SUUITWGESZVACD-QHCPKHFHSA-N	2	0	406.574	4.189	20	30		HIEDRP
N#CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1	ZINC000237830912	854105534	/nfs/dbraw/zinc/10/55/34/854105534.db2.gz	CVBHDHHVMYEUTL-QHCPKHFHSA-N	2	0	413.569	4.118	20	30		HIEDRP
[NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000303904689	855279208	/nfs/dbraw/zinc/27/92/08/855279208.db2.gz	YYWCVZIAUUTXHL-CQSZACIVSA-N	2	0	412.481	4.286	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000439579960	864899864	/nfs/dbraw/zinc/89/98/64/864899864.db2.gz	HMHPRUYOGYZKTF-QFIPXVFZSA-N	2	0	418.585	4.488	20	30		HIEDRP
C=CCOc1c(Br)cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OCC	ZINC000446890441	870809943	/nfs/dbraw/zinc/80/99/43/870809943.db2.gz	KTHQPQVGNMPYJW-UHFFFAOYSA-N	2	0	423.395	4.377	20	30		HIEDRP
CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)c2)CC1	ZINC000480021694	895370980	/nfs/dbraw/zinc/37/09/80/895370980.db2.gz	PKZNTEKPMGCNOI-UHFFFAOYSA-N	2	0	413.569	4.480	20	30		HIEDRP
C=CCSc1ccccc1NC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000501023851	910242404	/nfs/dbraw/zinc/24/24/04/910242404.db2.gz	LZXHBPUCPCVWML-UHFFFAOYSA-N	2	0	410.587	4.147	20	30		HIEDRP
COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391221	931041871	/nfs/dbraw/zinc/04/18/71/931041871.db2.gz	ZQYSUFSIOOSOAA-REWPJTCUSA-N	2	0	407.558	4.378	20	30		HIEDRP
C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507840	938638407	/nfs/dbraw/zinc/63/84/07/938638407.db2.gz	HBWCDXUNQUAJJG-SFHVURJKSA-N	2	0	411.521	4.038	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1	ZINC000553865829	941987471	/nfs/dbraw/zinc/98/74/71/941987471.db2.gz	ASHPFIVFGKMTSB-NRFANRHFSA-N	2	0	407.002	4.063	20	30		HIEDRP
C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1	ZINC000062252806	851516727	/nfs/dbraw/zinc/51/67/27/851516727.db2.gz	SGFRWXUISJUUEF-SFTDATJTSA-N	2	0	407.558	4.116	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1	ZINC000437085349	862278863	/nfs/dbraw/zinc/27/88/63/862278863.db2.gz	ZUCZLRMJPHGCDM-PKFSMUTISA-N	2	0	416.569	4.143	20	30		HIEDRP
C#CCCOc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1	ZINC000236985319	853947404	/nfs/dbraw/zinc/94/74/04/853947404.db2.gz	JKZBKOBPTOKHNU-FQEVSTJZSA-N	2	0	409.549	4.221	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC	ZINC000237215615	853984798	/nfs/dbraw/zinc/98/47/98/853984798.db2.gz	XAHOXKPWZHNWSO-WOJBJXKFSA-N	2	0	410.558	4.159	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1OC	ZINC000303882438	855268433	/nfs/dbraw/zinc/26/84/33/855268433.db2.gz	LLZXYCMSSNUPHB-UHFFFAOYSA-N	2	0	410.562	4.395	20	30		HIEDRP
CCOc1ccc(OCC)c(NC(=[NH2+])NCC2CC[NH+](Cc3cccs3)CC2)c1	ZINC000303891963	855272461	/nfs/dbraw/zinc/27/24/61/855272461.db2.gz	RBKDXTUICHWRQG-UHFFFAOYSA-N	2	0	416.591	4.184	20	30		HIEDRP
[NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1OC(F)(F)F	ZINC000305173692	855360242	/nfs/dbraw/zinc/36/02/42/855360242.db2.gz	AKBWRSOHTOZAON-UHFFFAOYSA-N	2	0	412.481	4.286	20	30		HIEDRP
C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1	ZINC000305666552	855360880	/nfs/dbraw/zinc/36/08/80/855360880.db2.gz	IGMXVADHRSSCON-DYESRHJHSA-N	2	0	400.929	4.387	20	30		HIEDRP
Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CCCC#N)c3ccccc3)CC2)cc1	ZINC000433029999	859489482	/nfs/dbraw/zinc/48/94/82/859489482.db2.gz	UWHVWJWNJLLZJM-RUZDIDTESA-N	2	0	418.585	4.054	20	30		HIEDRP
C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125238	860652077	/nfs/dbraw/zinc/65/20/77/860652077.db2.gz	VXHFWLDBUIKYFL-OAQYLSRUSA-N	2	0	420.605	4.335	20	30		HIEDRP
CC[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531066	871396218	/nfs/dbraw/zinc/39/62/18/871396218.db2.gz	PTLFYCGFKNCLKT-VWLOTQADSA-N	2	0	407.558	4.289	20	30		HIEDRP
C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1	ZINC000492662849	904884694	/nfs/dbraw/zinc/88/46/94/904884694.db2.gz	YSCVPJJLJGXJTB-FQEVSTJZSA-N	2	0	411.615	4.427	20	30		HIEDRP
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]34)CC2)nc1	ZINC000507465612	916233994	/nfs/dbraw/zinc/23/39/94/916233994.db2.gz	BKLDRZOILPSRQR-JEZXRVLCSA-N	2	0	416.569	4.143	20	30		HIEDRP
CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662909	930790638	/nfs/dbraw/zinc/79/06/38/930790638.db2.gz	OADMEKQMFIWTMU-IAGOWNOFSA-N	2	0	402.608	4.022	20	30		HIEDRP
C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599491	939564040	/nfs/dbraw/zinc/56/40/40/939564040.db2.gz	GWDGRHFWDVLBPZ-SJORKVTESA-N	2	0	414.619	4.070	20	30		HIEDRP
C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599488	939564071	/nfs/dbraw/zinc/56/40/71/939564071.db2.gz	GWDGRHFWDVLBPZ-DLBZAZTESA-N	2	0	414.619	4.070	20	30		HIEDRP
CC1CC[NH+]([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccccc2)CC1	ZINC000303892725	855273750	/nfs/dbraw/zinc/27/37/50/855273750.db2.gz	RKVUCLZBPOZIIT-OAQYLSRUSA-N	2	0	408.546	4.048	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc1	ZINC000304764847	855358809	/nfs/dbraw/zinc/35/88/09/855358809.db2.gz	YNTGRRSFXQAYOQ-LJQANCHMSA-N	2	0	410.562	4.100	20	30		HIEDRP
N#Cc1c(NC(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)sc2c1CCCCC2	ZINC000488435517	902825714	/nfs/dbraw/zinc/82/57/14/902825714.db2.gz	PSTAUNKSGKJBIG-UHFFFAOYSA-N	2	0	414.619	4.025	20	30		HIEDRP
N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1	ZINC000512417002	921145480	/nfs/dbraw/zinc/14/54/80/921145480.db2.gz	WSEDTDCREZPLBN-UHFFFAOYSA-N	2	0	419.569	4.072	20	30		HIEDRP
CN(c1ccccc1C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1	ZINC000513737271	922057489	/nfs/dbraw/zinc/05/74/89/922057489.db2.gz	YYIPQFKZZZOLBK-UHFFFAOYSA-N	2	0	418.585	4.132	20	30		HIEDRP
Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000520898829	928865544	/nfs/dbraw/zinc/86/55/44/928865544.db2.gz	BUFOKHKXDXYKAO-QHCPKHFHSA-N	2	0	413.569	4.351	20	30		HIEDRP
CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1	ZINC000538727724	938693740	/nfs/dbraw/zinc/69/37/40/938693740.db2.gz	REXDCPLHXFFPEB-RSXGOPAZSA-N	2	0	402.586	4.489	20	30		HIEDRP
N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CC2	ZINC000556231476	942823222	/nfs/dbraw/zinc/82/32/22/942823222.db2.gz	AIOXWYHPUAXQDS-ZCYQVOJMSA-N	2	0	401.554	4.064	20	30		HIEDRP
C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1	ZINC000237610239	854061836	/nfs/dbraw/zinc/06/18/36/854061836.db2.gz	OLXZBTXJRGHIJY-SFTDATJTSA-N	2	0	407.558	4.116	20	30		HIEDRP
C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@H](C)O1	ZINC000237635548	854065904	/nfs/dbraw/zinc/06/59/04/854065904.db2.gz	QAMHDVCRKDPVCF-OYRHEFFESA-N	2	0	407.558	4.268	20	30		HIEDRP
C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000303508981	854997845	/nfs/dbraw/zinc/99/78/45/854997845.db2.gz	BHVFOQWQNCHMDL-MSOLQXFVSA-N	2	0	402.970	4.127	20	30		HIEDRP
C[C@@H]([NH2+]C1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCOCC1)c1ccccc1	ZINC000304738729	855357777	/nfs/dbraw/zinc/35/77/77/855357777.db2.gz	AXKXKQLDGCTKQV-LJQANCHMSA-N	2	0	406.574	4.192	20	30		HIEDRP
C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592852	904122976	/nfs/dbraw/zinc/12/29/76/904122976.db2.gz	SQZBCXFQSFJFNX-HXUWFJFHSA-N	2	0	405.590	4.435	20	30		HIEDRP
CC[N@H+](CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1)CC1CC1	ZINC000491056678	904400359	/nfs/dbraw/zinc/40/03/59/904400359.db2.gz	CEASEOVAVOPNFN-UHFFFAOYSA-N	2	0	405.590	4.293	20	30		HIEDRP
C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000501030893	910247617	/nfs/dbraw/zinc/24/76/17/910247617.db2.gz	XOZPMMGBHIHMRQ-UHFFFAOYSA-N	2	0	403.448	4.180	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)CC1	ZINC000502760295	911782980	/nfs/dbraw/zinc/78/29/80/911782980.db2.gz	BOOGSYLKRBEXCB-HXUWFJFHSA-N	2	0	400.611	4.236	20	30		HIEDRP
CN(c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC[NH+](C)CC1	ZINC000538727722	938694066	/nfs/dbraw/zinc/69/40/66/938694066.db2.gz	REXDCPLHXFFPEB-AOYPEHQESA-N	2	0	402.586	4.489	20	30		HIEDRP
CN(c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC[NH+](C)CC1	ZINC000538727721	938694143	/nfs/dbraw/zinc/69/41/43/938694143.db2.gz	REXDCPLHXFFPEB-AHWVRZQESA-N	2	0	402.586	4.489	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1	ZINC000540708212	939345083	/nfs/dbraw/zinc/34/50/83/939345083.db2.gz	NPWLBWOMJBVRDG-OAHLLOKOSA-N	2	0	420.454	4.319	20	30		HIEDRP
C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000556252415	942826440	/nfs/dbraw/zinc/82/64/40/942826440.db2.gz	CEISPRDKPJEGOH-OOEPIQFGSA-N	2	0	416.569	4.086	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1OC	ZINC000303879577	855266625	/nfs/dbraw/zinc/26/66/25/855266625.db2.gz	GQYCPKHWDLMTMU-ROUUACIJSA-N	2	0	410.562	4.109	20	30		HIEDRP
Cc1ccc(CNC(Nc2ccccc2)=[NH+]CC2([NH+]3CCCC3)CCOCC2)cc1	ZINC000304750420	855357436	/nfs/dbraw/zinc/35/74/36/855357436.db2.gz	IJKVCAOQFVEXJP-UHFFFAOYSA-N	2	0	406.574	4.198	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000439550307	864876761	/nfs/dbraw/zinc/87/67/61/864876761.db2.gz	OLRMZLZSZSXWNK-FQEVSTJZSA-N	2	0	422.548	4.237	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1	ZINC000468026359	881860591	/nfs/dbraw/zinc/86/05/91/881860591.db2.gz	NSYAJLLQRFWBRO-NZQKXSOJSA-N	2	0	400.611	4.092	20	30		HIEDRP
CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000492785792	904905643	/nfs/dbraw/zinc/90/56/43/904905643.db2.gz	VMRBHHOGSHKYHX-INIZCTEOSA-N	2	0	410.587	4.067	20	30		HIEDRP
C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000495373213	906410739	/nfs/dbraw/zinc/41/07/39/906410739.db2.gz	DIOYCCWFJPGIAD-OFVILXPXSA-N	2	0	402.586	4.023	20	30		HIEDRP
C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000495373212	906410977	/nfs/dbraw/zinc/41/09/77/906410977.db2.gz	DIOYCCWFJPGIAD-BWKNWUBXSA-N	2	0	402.586	4.023	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507839	938638269	/nfs/dbraw/zinc/63/82/69/938638269.db2.gz	HBWCDXUNQUAJJG-GOSISDBHSA-N	2	0	411.521	4.038	20	30		HIEDRP
CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000554099240	942036155	/nfs/dbraw/zinc/03/61/55/942036155.db2.gz	GSIVMJRMUBUMHR-UHFFFAOYSA-N	2	0	402.608	4.023	20	30		HIEDRP
C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@H](C)O1	ZINC000564416078	945569291	/nfs/dbraw/zinc/56/92/91/945569291.db2.gz	XFLWSTNJXZWRTP-CALCHBBNSA-N	2	0	417.475	4.476	20	30		HIEDRP
C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000303508987	854997496	/nfs/dbraw/zinc/99/74/96/854997496.db2.gz	BHVFOQWQNCHMDL-ROUUACIJSA-N	2	0	402.970	4.127	20	30		HIEDRP
COc1ccc(C[NH+]2CCC(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)cc1	ZINC000303867953	855260297	/nfs/dbraw/zinc/26/02/97/855260297.db2.gz	DFIWJWUYQCDXIB-UHFFFAOYSA-N	2	0	410.562	4.121	20	30		HIEDRP
C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1	ZINC000443597336	868151432	/nfs/dbraw/zinc/15/14/32/868151432.db2.gz	YYZBXDBHRQQELB-FQEVSTJZSA-N	2	0	414.569	4.049	20	30		HIEDRP
C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000480051785	895400452	/nfs/dbraw/zinc/40/04/52/895400452.db2.gz	STZGHYHMIDZTDN-FQEVSTJZSA-N	2	0	413.569	4.480	20	30		HIEDRP
COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481922090	897306299	/nfs/dbraw/zinc/30/62/99/897306299.db2.gz	MDOXTMOADNBEFH-VWLOTQADSA-N	2	0	407.558	4.073	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F	ZINC000512674588	921283363	/nfs/dbraw/zinc/28/33/63/921283363.db2.gz	XXYRWZLRWNJBIR-GOSISDBHSA-N	2	0	411.521	4.038	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)CC1	ZINC000521583139	929311145	/nfs/dbraw/zinc/31/11/45/929311145.db2.gz	XCZRKLDQAOXPJI-UHFFFAOYSA-N	2	0	420.601	4.255	20	30		HIEDRP
CC[NH+](CC)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1	ZINC000539499615	938869290	/nfs/dbraw/zinc/86/92/90/938869290.db2.gz	IYVHWQYNJIEBJV-AREMUKBSSA-N	2	0	404.602	4.065	20	30		HIEDRP
C[C@H]1C[C@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000539509079	938870692	/nfs/dbraw/zinc/87/06/92/938870692.db2.gz	SRLILKPBRZGVMG-NVQXNPDNSA-N	2	0	416.613	4.413	20	30		HIEDRP
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1	ZINC000543775083	940181800	/nfs/dbraw/zinc/18/18/00/940181800.db2.gz	APKZJZRDTWGJAA-GXUWAKPLSA-N	2	0	403.570	4.137	20	30		HIEDRP
C=CCOc1cccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1	ZINC000549882888	941225753	/nfs/dbraw/zinc/22/57/53/941225753.db2.gz	JKDKYLOEAMPKDJ-XMMPIXPASA-N	2	0	406.570	4.270	20	30		HIEDRP
C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1	ZINC000556252416	942826337	/nfs/dbraw/zinc/82/63/37/942826337.db2.gz	CEISPRDKPJEGOH-RVMZIBIISA-N	2	0	416.569	4.086	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cccc(C#N)c1	ZINC000557782058	943290100	/nfs/dbraw/zinc/29/01/00/943290100.db2.gz	JDVCNRZAIDKACG-MRXNPFEDSA-N	2	0	402.464	4.180	20	30		HIEDRP
C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891606	944077518	/nfs/dbraw/zinc/07/75/18/944077518.db2.gz	DGSWRXPTJVXAQG-WMZHIEFXSA-N	2	0	407.533	4.277	20	30		HIEDRP
C[C@H]1C[C@@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000573708770	948279268	/nfs/dbraw/zinc/27/92/68/948279268.db2.gz	YGDASGXNVAZSIC-XUZZJYLKSA-N	2	0	402.586	4.417	20	30		HIEDRP
C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1	ZINC000303892039	855272805	/nfs/dbraw/zinc/27/28/05/855272805.db2.gz	NJAJLXQSCZMCSK-SFHVURJKSA-N	2	0	408.546	4.007	20	30		HIEDRP
CN1CCC([NH+]2CCC(CC[N@H+](C)CC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1	ZINC000430920841	858370796	/nfs/dbraw/zinc/37/07/96/858370796.db2.gz	QLPFHWMFOYLIDF-UHFFFAOYSA-N	2	0	421.551	4.185	20	30		HIEDRP
Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000433016320	859479878	/nfs/dbraw/zinc/47/98/78/859479878.db2.gz	PMLGHONMWCMCCJ-VWLOTQADSA-N	2	0	418.585	4.100	20	30		HIEDRP
Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)CC1	ZINC000433025094	859485532	/nfs/dbraw/zinc/48/55/32/859485532.db2.gz	HIKQTVPPEZPTPZ-VWLOTQADSA-N	2	0	418.585	4.054	20	30		HIEDRP
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000478055530	893209567	/nfs/dbraw/zinc/20/95/67/893209567.db2.gz	RPJQAXHLHPBCFI-VXKWHMMOSA-N	2	0	410.606	4.298	20	30		HIEDRP
C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1	ZINC000478204825	893365064	/nfs/dbraw/zinc/36/50/64/893365064.db2.gz	ZDNUCDUSTMYYNM-NZQKXSOJSA-N	2	0	413.569	4.349	20	30		HIEDRP
CC[N@H+](Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C	ZINC000479210140	894474129	/nfs/dbraw/zinc/47/41/29/894474129.db2.gz	CMXVFTWDKIRINR-UHFFFAOYSA-N	2	0	418.585	4.205	20	30		HIEDRP
CN(c1ccccc1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1	ZINC000510486152	918937782	/nfs/dbraw/zinc/93/77/82/918937782.db2.gz	VWEFGSSTVGGKDA-UHFFFAOYSA-N	2	0	418.585	4.132	20	30		HIEDRP
C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC	ZINC000516686128	923845992	/nfs/dbraw/zinc/84/59/92/923845992.db2.gz	QKKYRMCXEQCEIZ-SFHVURJKSA-N	2	0	423.395	4.186	20	30		HIEDRP
C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000525858726	930469572	/nfs/dbraw/zinc/46/95/72/930469572.db2.gz	YAEOQRGNUBKNJS-VJGHCQHZSA-N	2	0	404.558	4.143	20	30		HIEDRP
C=C(C)COc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000556407694	942858915	/nfs/dbraw/zinc/85/89/15/942858915.db2.gz	OCCZIXFBKVWODY-UHFFFAOYSA-N	2	0	410.558	4.413	20	30		HIEDRP
C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891604	944078210	/nfs/dbraw/zinc/07/82/10/944078210.db2.gz	DGSWRXPTJVXAQG-AUSIDOKSSA-N	2	0	407.533	4.277	20	30		HIEDRP
Cc1cccc(N2CC[NH+](CCCCNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)c1	ZINC000303904829	855279063	/nfs/dbraw/zinc/27/90/63/855279063.db2.gz	VDWTYWDXIRYTLL-UHFFFAOYSA-N	2	0	423.605	4.111	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@H]1c1cccs1	ZINC000304786245	855358711	/nfs/dbraw/zinc/35/87/11/855358711.db2.gz	IKOVTCXQYLOQPF-GUYCJALGSA-N	2	0	412.481	4.456	20	30		HIEDRP
C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1	ZINC000443597339	868152279	/nfs/dbraw/zinc/15/22/79/868152279.db2.gz	YYZBXDBHRQQELB-HXUWFJFHSA-N	2	0	414.569	4.049	20	30		HIEDRP
CCC[N@H+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000479253061	894518726	/nfs/dbraw/zinc/51/87/26/894518726.db2.gz	XFJNPCVSJBUOAU-UHFFFAOYSA-N	2	0	418.585	4.207	20	30		HIEDRP
Cn1cc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000491165887	904463403	/nfs/dbraw/zinc/46/34/03/904463403.db2.gz	GMOAKLWKWVROCE-UHFFFAOYSA-N	2	0	413.569	4.303	20	30		HIEDRP
C[C@@H]1C[NH+](CCC2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@@H](C)O1	ZINC000492633945	904880426	/nfs/dbraw/zinc/88/04/26/904880426.db2.gz	WAOMAJLXXSNCAF-IAGOWNOFSA-N	2	0	420.395	4.032	20	30		HIEDRP
C[C@H]1C[NH+](CCC2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1	ZINC000492633948	904880488	/nfs/dbraw/zinc/88/04/88/904880488.db2.gz	WAOMAJLXXSNCAF-IRXDYDNUSA-N	2	0	420.395	4.032	20	30		HIEDRP
N#Cc1cccc(COc2cccc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)c2)c1	ZINC000512399773	921135345	/nfs/dbraw/zinc/13/53/45/921135345.db2.gz	MWHVZRSVLKRCTN-UHFFFAOYSA-N	2	0	419.569	4.072	20	30		HIEDRP
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]34)CC2)nc1	ZINC000507465638	916232708	/nfs/dbraw/zinc/23/27/08/916232708.db2.gz	BKLDRZOILPSRQR-QUFPEAKPSA-N	2	0	416.569	4.143	20	30		HIEDRP
N#Cc1ccccc1COc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000538723125	938691398	/nfs/dbraw/zinc/69/13/98/938691398.db2.gz	KXWQHXFQPHRATB-UHFFFAOYSA-N	2	0	419.569	4.214	20	30		HIEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1OC(F)F	ZINC000538946612	938744544	/nfs/dbraw/zinc/74/45/44/938744544.db2.gz	CXOIMULPPDGNKM-UHFFFAOYSA-N	2	0	400.473	4.293	20	30		HIEDRP
N#Cc1cccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000030909892	847797358	/nfs/dbraw/zinc/79/73/58/847797358.db2.gz	LRBVPEIOBXXIGM-UHFFFAOYSA-N	2	0	416.491	4.269	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000304753516	855357512	/nfs/dbraw/zinc/35/75/12/855357512.db2.gz	LDOGDKZMPGKVDZ-PZJWPPBQSA-N	2	0	418.507	4.235	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCCCC[NH+]2CCC(Cc3ccccc3)CC2)cc1OC	ZINC000304761725	855357553	/nfs/dbraw/zinc/35/75/53/855357553.db2.gz	UTZHMGHQKHDLAV-UHFFFAOYSA-N	2	0	424.589	4.165	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000439557393	864883537	/nfs/dbraw/zinc/88/35/37/864883537.db2.gz	MBWCFHCKRDLWNA-FGZHOGPDSA-N	2	0	418.585	4.486	20	30		HIEDRP
C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CC[C@@H]1CCCC[NH+]1C	ZINC000441357419	866427227	/nfs/dbraw/zinc/42/72/27/866427227.db2.gz	NQEUXSGWZBIXHZ-KRWDZBQOSA-N	2	0	402.608	4.023	20	30		HIEDRP
Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000443971711	868502016	/nfs/dbraw/zinc/50/20/16/868502016.db2.gz	VODQXCPRDOKDGJ-UHFFFAOYSA-N	2	0	410.565	4.479	20	30		HIEDRP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@H](C)C1	ZINC000471240630	885816432	/nfs/dbraw/zinc/81/64/32/885816432.db2.gz	ACYQTVOFIHITMA-XXBNENTESA-N	2	0	407.558	4.308	20	30		HIEDRP
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000478055529	893209750	/nfs/dbraw/zinc/20/97/50/893209750.db2.gz	RPJQAXHLHPBCFI-FGZHOGPDSA-N	2	0	410.606	4.298	20	30		HIEDRP
C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1	ZINC000478204823	893365663	/nfs/dbraw/zinc/36/56/63/893365663.db2.gz	ZDNUCDUSTMYYNM-NFBKMPQASA-N	2	0	413.569	4.349	20	30		HIEDRP
Cn1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c(-c2ccc(C#N)cc2)n1	ZINC000479895618	895243666	/nfs/dbraw/zinc/24/36/66/895243666.db2.gz	YIQCABBFOQZVAF-UHFFFAOYSA-N	2	0	405.571	4.022	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161928	908516739	/nfs/dbraw/zinc/51/67/39/908516739.db2.gz	OTQGDCICQNIBOL-NEWJYFPISA-N	2	0	418.560	4.451	20	30		HIEDRP
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)CC2)nc1	ZINC000507465635	916232028	/nfs/dbraw/zinc/23/20/28/916232028.db2.gz	BKLDRZOILPSRQR-PKFSMUTISA-N	2	0	416.569	4.143	20	30		HIEDRP
C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000513668521	921992142	/nfs/dbraw/zinc/99/21/42/921992142.db2.gz	ZTODBMSUAPOBCG-SFTDATJTSA-N	2	0	402.586	4.273	20	30		HIEDRP
CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000514099293	922426891	/nfs/dbraw/zinc/42/68/91/922426891.db2.gz	NEXOZASJHOQAPL-UHFFFAOYSA-N	2	0	406.574	4.037	20	30		HIEDRP
CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662911	930791285	/nfs/dbraw/zinc/79/12/85/930791285.db2.gz	OADMEKQMFIWTMU-IRXDYDNUSA-N	2	0	402.608	4.022	20	30		HIEDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1	ZINC000562905710	945147013	/nfs/dbraw/zinc/14/70/13/945147013.db2.gz	VDXWMJVCSBQPEV-UHFFFAOYSA-N	2	0	416.491	4.004	20	30		HIEDRP
C=CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1	ZINC000557547993	943202388	/nfs/dbraw/zinc/20/23/88/943202388.db2.gz	VHURLWSZFFDPNY-VWLOTQADSA-N	2	0	405.586	4.373	20	30		HIEDRP
[NH2+]=C(NCc1cccc(C[NH+]2CCCCCC2)c1)Nc1ccc2c(c1)OCCCO2	ZINC000303968077	855328688	/nfs/dbraw/zinc/32/86/88/855328688.db2.gz	AHJHDWMZDSBKQQ-UHFFFAOYSA-N	2	0	408.546	4.151	20	30		HIEDRP
CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1	ZINC000304496532	855356518	/nfs/dbraw/zinc/35/65/18/855356518.db2.gz	PWCCILCDZDYMGC-UHFFFAOYSA-N	2	0	408.468	4.030	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCc2cccs2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000304756554	855357299	/nfs/dbraw/zinc/35/72/99/855357299.db2.gz	NTXZJAZVPJTGML-LPHOPBHVSA-N	2	0	424.536	4.297	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000304753518	855357478	/nfs/dbraw/zinc/35/74/78/855357478.db2.gz	LDOGDKZMPGKVDZ-TZIWHRDSSA-N	2	0	418.507	4.235	20	30		HIEDRP
C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccs1	ZINC000304786246	855358650	/nfs/dbraw/zinc/35/86/50/855358650.db2.gz	IKOVTCXQYLOQPF-SUMWQHHRSA-N	2	0	412.481	4.456	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N(CCC#N)c1ccc(F)cc1	ZINC000439550308	864876608	/nfs/dbraw/zinc/87/66/08/864876608.db2.gz	OLRMZLZSZSXWNK-HXUWFJFHSA-N	2	0	422.548	4.237	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1	ZINC000468026360	881860928	/nfs/dbraw/zinc/86/09/28/881860928.db2.gz	NSYAJLLQRFWBRO-OFNKIYASSA-N	2	0	400.611	4.092	20	30		HIEDRP
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CCC2	ZINC000443598563	868154573	/nfs/dbraw/zinc/15/45/73/868154573.db2.gz	IPVYRCKYBHSAKI-UHFFFAOYSA-N	2	0	414.619	4.025	20	30		HIEDRP
N#CC(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)(c1ccccc1)c1ccccc1	ZINC000472580682	887461552	/nfs/dbraw/zinc/46/15/52/887461552.db2.gz	MRFNSHBILOUFGQ-UHFFFAOYSA-N	2	0	417.597	4.463	20	30		HIEDRP
C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000525858725	930469687	/nfs/dbraw/zinc/46/96/87/930469687.db2.gz	YAEOQRGNUBKNJS-OVAXGASASA-N	2	0	404.558	4.143	20	30		HIEDRP
C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000537295892	933702275	/nfs/dbraw/zinc/70/22/75/933702275.db2.gz	OLGGKGICYQFNDN-MRXNPFEDSA-N	2	0	402.464	4.180	20	30		HIEDRP
C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1	ZINC000540455914	939257578	/nfs/dbraw/zinc/25/75/78/939257578.db2.gz	GBOSNVZJCNPHJP-QHCPKHFHSA-N	2	0	409.599	4.471	20	30		HIEDRP
C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1	ZINC000543770429	940181152	/nfs/dbraw/zinc/18/11/52/940181152.db2.gz	IYNAJHPYWYKARO-RLWLMLJZSA-N	2	0	402.586	4.165	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+](C)CCC)CC1	ZINC000553865832	941987501	/nfs/dbraw/zinc/98/75/01/941987501.db2.gz	ASHPFIVFGKMTSB-OAQYLSRUSA-N	2	0	407.002	4.063	20	30		HIEDRP
C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)CC1	ZINC000564496530	945624567	/nfs/dbraw/zinc/62/45/67/945624567.db2.gz	LVMCXSOMKMOWJZ-UHFFFAOYSA-N	2	0	403.448	4.340	20	30		HIEDRP
C[C@H]1C[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000573708769	948279408	/nfs/dbraw/zinc/27/94/08/948279408.db2.gz	YGDASGXNVAZSIC-URXFXBBRSA-N	2	0	402.586	4.417	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000028899510	847474323	/nfs/dbraw/zinc/47/43/23/847474323.db2.gz	OBIPCCDPTVPBNH-KRWDZBQOSA-N	2	0	410.949	4.314	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000236982358	853946626	/nfs/dbraw/zinc/94/66/26/853946626.db2.gz	DGQMIYMWSUXAIH-RTBURBONSA-N	2	0	410.537	4.109	20	30		HIEDRP
C=C(C)C[NH+]1CCC(Nc2ncc(Cl)c(NC3CC[NH+](CC(=C)C)CC3)n2)CC1	ZINC000301698283	854447216	/nfs/dbraw/zinc/44/72/16/854447216.db2.gz	CDZCFIVYVAFPNN-UHFFFAOYSA-N	2	0	419.017	4.035	20	30		HIEDRP
CC1CC[NH+](Cc2ccc(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)cc2)CC1	ZINC000303784852	855196897	/nfs/dbraw/zinc/19/68/97/855196897.db2.gz	PUBOTVCQQIJDTN-UHFFFAOYSA-N	2	0	408.546	4.007	20	30		HIEDRP
[NH2+]=C(NCc1ccccc1C[NH+]1CCCCCC1)Nc1ccc2c(c1)OCCCO2	ZINC000304752734	855357698	/nfs/dbraw/zinc/35/76/98/855357698.db2.gz	KNGQZELQEYGUSE-UHFFFAOYSA-N	2	0	408.546	4.151	20	30		HIEDRP
[NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccccc1OC(F)(F)F	ZINC000305219788	855360373	/nfs/dbraw/zinc/36/03/73/855360373.db2.gz	JDQZINMEXPKPLO-AWEZNQCLSA-N	2	0	412.481	4.286	20	30		HIEDRP
C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@H]1c1ccc(Cl)c(F)c1	ZINC000305666556	855361058	/nfs/dbraw/zinc/36/10/58/855361058.db2.gz	IGMXVADHRSSCON-LAUBAEHRSA-N	2	0	400.929	4.387	20	30		HIEDRP
Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000433025093	859485734	/nfs/dbraw/zinc/48/57/34/859485734.db2.gz	HIKQTVPPEZPTPZ-RUZDIDTESA-N	2	0	418.585	4.054	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000439557392	864883147	/nfs/dbraw/zinc/88/31/47/864883147.db2.gz	MBWCFHCKRDLWNA-FCHUYYIVSA-N	2	0	418.585	4.486	20	30		HIEDRP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000444667208	868945445	/nfs/dbraw/zinc/94/54/45/868945445.db2.gz	SIHSNEZJBQZKBP-UBFVSLLYSA-N	2	0	403.570	4.070	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1	ZINC000447594149	871500043	/nfs/dbraw/zinc/50/00/43/871500043.db2.gz	XERNBDHSTUDUQY-PFZMCEHDSA-N	2	0	416.569	4.428	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1	ZINC000447594148	871501411	/nfs/dbraw/zinc/50/14/11/871501411.db2.gz	XERNBDHSTUDUQY-KMVVVDKLSA-N	2	0	416.569	4.428	20	30		HIEDRP
C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983812	895337316	/nfs/dbraw/zinc/33/73/16/895337316.db2.gz	PFBVEFMWCBJKEP-HXUWFJFHSA-N	2	0	413.569	4.480	20	30		HIEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1Br	ZINC000481241689	896592191	/nfs/dbraw/zinc/59/21/91/896592191.db2.gz	VJBPYWREKRKYDS-UHFFFAOYSA-N	2	0	413.363	4.454	20	30		HIEDRP
COc1cc(C[N@H+](C)CCCn2ccnc2C)ccc1OCc1cccc(C#N)c1	ZINC000503053278	912016318	/nfs/dbraw/zinc/01/63/18/912016318.db2.gz	OERHEQWLKXNKDX-UHFFFAOYSA-N	2	0	404.514	4.173	20	30		HIEDRP
Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000520898828	928865175	/nfs/dbraw/zinc/86/51/75/928865175.db2.gz	BUFOKHKXDXYKAO-HSZRJFAPSA-N	2	0	413.569	4.351	20	30		HIEDRP
COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1OCc1cccc(C#N)c1	ZINC000533406577	931860392	/nfs/dbraw/zinc/86/03/92/931860392.db2.gz	PKDHCMALDMYTRO-UHFFFAOYSA-N	2	0	407.558	4.450	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c(C)c2)CC1	ZINC000541901697	939650104	/nfs/dbraw/zinc/65/01/04/939650104.db2.gz	VBRUOCUBKWQLQE-UHFFFAOYSA-N	2	0	417.601	4.085	20	30		HIEDRP
C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000548483239	941107953	/nfs/dbraw/zinc/10/79/53/941107953.db2.gz	JAPGHKCOXZJLGT-AJSBUHFISA-N	2	0	406.549	4.166	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1	ZINC000437085345	862278004	/nfs/dbraw/zinc/27/80/04/862278004.db2.gz	ZUCZLRMJPHGCDM-JEZXRVLCSA-N	2	0	416.569	4.143	20	30		HIEDRP
[NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Nc1ccc(OC(F)(F)F)cc1	ZINC000303904688	855279721	/nfs/dbraw/zinc/27/97/21/855279721.db2.gz	YYWCVZIAUUTXHL-AWEZNQCLSA-N	2	0	412.481	4.286	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OC	ZINC000303911809	855284165	/nfs/dbraw/zinc/28/41/65/855284165.db2.gz	ZVJJBLCCQOMTIP-QZTJIDSGSA-N	2	0	410.562	4.109	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000304753513	855357727	/nfs/dbraw/zinc/35/77/27/855357727.db2.gz	LDOGDKZMPGKVDZ-CTNGQTDRSA-N	2	0	418.507	4.235	20	30		HIEDRP
N#CCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c(-c2ccncc2)n1	ZINC000433303181	859626779	/nfs/dbraw/zinc/62/67/79/859626779.db2.gz	HDUSTNVVAPIGSO-UHFFFAOYSA-N	2	0	414.557	4.134	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)N(CCC#N)c1ccccc1	ZINC000439557397	864883637	/nfs/dbraw/zinc/88/36/37/864883637.db2.gz	MBWCFHCKRDLWNA-YADHBBJMSA-N	2	0	418.585	4.486	20	30		HIEDRP
N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170111	884448376	/nfs/dbraw/zinc/44/83/76/884448376.db2.gz	OTQGDCICQNIBOL-XALAGWIPSA-N	2	0	418.560	4.451	20	30		HIEDRP
CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1	ZINC000479928814	895278311	/nfs/dbraw/zinc/27/83/11/895278311.db2.gz	SNCXDBDKADYLIV-UHFFFAOYSA-N	2	0	413.569	4.480	20	30		HIEDRP
CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1	ZINC000500139998	909616340	/nfs/dbraw/zinc/61/63/40/909616340.db2.gz	PLGGBHMIXHBLMF-UHFFFAOYSA-N	2	0	408.565	4.116	20	30		HIEDRP
CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)c1ccc(C#N)cc1	ZINC000507719015	916513341	/nfs/dbraw/zinc/51/33/41/916513341.db2.gz	QXKSUPFWBRNVIU-NRFANRHFSA-N	2	0	418.585	4.030	20	30		HIEDRP
CC[NH+](CC)CCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)cc1	ZINC000552254803	941615177	/nfs/dbraw/zinc/61/51/77/941615177.db2.gz	VMUFJELPRRAOLX-UHFFFAOYSA-N	2	0	406.574	4.037	20	30		HIEDRP
CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(O[C@@H](C#N)CC)c2)CC1	ZINC000236803388	853924624	/nfs/dbraw/zinc/92/46/24/853924624.db2.gz	SUUITWGESZVACD-HSZRJFAPSA-N	2	0	406.574	4.189	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)[C@@H]1c1cccs1	ZINC000304786243	855359111	/nfs/dbraw/zinc/35/91/11/855359111.db2.gz	IKOVTCXQYLOQPF-CXAGYDPISA-N	2	0	412.481	4.456	20	30		HIEDRP
N#Cc1ccc(-c2nnc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)cc1	ZINC000433128839	859532122	/nfs/dbraw/zinc/53/21/22/859532122.db2.gz	XXANVCODRWQMFG-UHFFFAOYSA-N	2	0	413.525	4.096	20	30		HIEDRP
C=CCOc1c(Br)cc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1OCC	ZINC000503929908	912869433	/nfs/dbraw/zinc/86/94/33/912869433.db2.gz	NYPRQIBGHZCSCA-UHFFFAOYSA-N	2	0	411.384	4.234	20	30		HIEDRP
C[C@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1	ZINC000478204828	893367741	/nfs/dbraw/zinc/36/77/41/893367741.db2.gz	ZDNUCDUSTMYYNM-REWPJTCUSA-N	2	0	413.569	4.349	20	30		HIEDRP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1	ZINC000513668519	921992221	/nfs/dbraw/zinc/99/22/21/921992221.db2.gz	ZTODBMSUAPOBCG-ACWUQQCTSA-N	2	0	402.586	4.273	20	30		HIEDRP
C=CCOc1ccc(C[NH2+]Cc2ccc(CN3CC[NH+](CC)CC3)cc2)cc1Cl	ZINC000518764651	927483142	/nfs/dbraw/zinc/48/31/42/927483142.db2.gz	XUTAOWGFJHIHJR-UHFFFAOYSA-N	2	0	413.993	4.332	20	30		HIEDRP
N#Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(C(F)(F)F)c1	ZINC000521120963	929007474	/nfs/dbraw/zinc/00/74/74/929007474.db2.gz	SPFYHYSOBJDHMC-UHFFFAOYSA-N	2	0	403.448	4.341	20	30		HIEDRP
N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3C[NH+]3CCCCC3)CC2)cc1	ZINC000542859518	939863685	/nfs/dbraw/zinc/86/36/85/939863685.db2.gz	VVPUWGWSHKGWPH-UHFFFAOYSA-N	2	0	402.586	4.298	20	30		HIEDRP
C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000548483241	941107815	/nfs/dbraw/zinc/10/78/15/941107815.db2.gz	JAPGHKCOXZJLGT-VJBMBRPKSA-N	2	0	406.549	4.166	20	30		HIEDRP
C=CCOc1cccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1	ZINC000549882887	941226020	/nfs/dbraw/zinc/22/60/20/941226020.db2.gz	JKDKYLOEAMPKDJ-DEOSSOPVSA-N	2	0	406.570	4.270	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000560918170	944369307	/nfs/dbraw/zinc/36/93/07/944369307.db2.gz	SHUUYKUYOUXWJS-XMMPIXPASA-N	2	0	412.622	4.113	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccc(C#N)c(Cl)c1	ZINC000028899506	847474451	/nfs/dbraw/zinc/47/44/51/847474451.db2.gz	OBIPCCDPTVPBNH-QGZVFWFLSA-N	2	0	410.949	4.314	20	30		HIEDRP
C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3cccc(OCCCC#N)c3)cc2)C[C@@H](C)O1	ZINC000237420691	854028728	/nfs/dbraw/zinc/02/87/28/854028728.db2.gz	QAMHDVCRKDPVCF-NHCUHLMSSA-N	2	0	407.558	4.268	20	30		HIEDRP
C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1	ZINC000237610205	854061634	/nfs/dbraw/zinc/06/16/34/854061634.db2.gz	OLXZBTXJRGHIJY-OYRHEFFESA-N	2	0	407.558	4.116	20	30		HIEDRP
C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000303508990	854997189	/nfs/dbraw/zinc/99/71/89/854997189.db2.gz	BHVFOQWQNCHMDL-ZWKOTPCHSA-N	2	0	402.970	4.127	20	30		HIEDRP
C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2	ZINC000303771593	855188922	/nfs/dbraw/zinc/18/89/22/855188922.db2.gz	CSRKWKWUWZRIAJ-SFHVURJKSA-N	2	0	408.546	4.149	20	30		HIEDRP
CC1CC[NH+]([C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2ccccc2)CC1	ZINC000303892721	855273930	/nfs/dbraw/zinc/27/39/30/855273930.db2.gz	RKVUCLZBPOZIIT-NRFANRHFSA-N	2	0	408.546	4.048	20	30		HIEDRP
COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2C[N@H+](C)C2CCCCC2)c1	ZINC000303898330	855276509	/nfs/dbraw/zinc/27/65/09/855276509.db2.gz	VMGGVXNQCSETQO-UHFFFAOYSA-N	2	0	410.562	4.395	20	30		HIEDRP
N#Cc1cccc(-c2nnc(C[N@@H+]3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)o2)c1	ZINC000433083937	859515486	/nfs/dbraw/zinc/51/54/86/859515486.db2.gz	RIVMUQVZYABNQX-UHFFFAOYSA-N	2	0	413.525	4.096	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)N(CCC#N)c1ccccc1	ZINC000439579959	864900554	/nfs/dbraw/zinc/90/05/54/864900554.db2.gz	HMHPRUYOGYZKTF-JOCHJYFZSA-N	2	0	418.585	4.488	20	30		HIEDRP
CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)[C@@H](C)C1	ZINC000471240628	885816987	/nfs/dbraw/zinc/81/69/87/885816987.db2.gz	ACYQTVOFIHITMA-CVDCTZTESA-N	2	0	407.558	4.308	20	30		HIEDRP
C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC	ZINC000475548151	890472407	/nfs/dbraw/zinc/47/24/07/890472407.db2.gz	AXUSTODYSZAHAE-OAQYLSRUSA-N	2	0	400.611	4.418	20	30		HIEDRP
C=CCc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC	ZINC000475548150	890473190	/nfs/dbraw/zinc/47/31/90/890473190.db2.gz	AXUSTODYSZAHAE-NRFANRHFSA-N	2	0	400.611	4.418	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000479507787	894822156	/nfs/dbraw/zinc/82/21/56/894822156.db2.gz	DBUIZTWIMXPPJX-JOCHJYFZSA-N	2	0	418.585	4.343	20	30		HIEDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1	ZINC000481919450	897304021	/nfs/dbraw/zinc/30/40/21/897304021.db2.gz	RYBMEEZEIMTXHB-AREMUKBSSA-N	2	0	402.586	4.253	20	30		HIEDRP
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1	ZINC000507634719	916394156	/nfs/dbraw/zinc/39/41/56/916394156.db2.gz	GKQVDYBPUIJICJ-UHFFFAOYSA-N	2	0	403.570	4.137	20	30		HIEDRP
C=CCOc1c(Br)cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1OCC	ZINC000513746384	922067859	/nfs/dbraw/zinc/06/78/59/922067859.db2.gz	VDNWQZAFQDCWKW-UHFFFAOYSA-N	2	0	411.384	4.186	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](CC)CC)CC1	ZINC000520696142	928742695	/nfs/dbraw/zinc/74/26/95/928742695.db2.gz	YMFFCADEWVKWST-NRFANRHFSA-N	2	0	407.002	4.063	20	30		HIEDRP
COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391219	931041924	/nfs/dbraw/zinc/04/19/24/931041924.db2.gz	ZQYSUFSIOOSOAA-NZQKXSOJSA-N	2	0	407.558	4.378	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)CC1	ZINC000236985418	853947433	/nfs/dbraw/zinc/94/74/33/853947433.db2.gz	DGQMIYMWSUXAIH-MOPGFXCFSA-N	2	0	410.537	4.109	20	30		HIEDRP
C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1	ZINC000237404733	854024277	/nfs/dbraw/zinc/02/42/77/854024277.db2.gz	OLXZBTXJRGHIJY-NHCUHLMSSA-N	2	0	407.558	4.116	20	30		HIEDRP
N#CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(-c2ccccc2)n1	ZINC000237831310	854105580	/nfs/dbraw/zinc/10/55/80/854105580.db2.gz	CVBHDHHVMYEUTL-HSZRJFAPSA-N	2	0	413.569	4.118	20	30		HIEDRP
Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000302187814	854546163	/nfs/dbraw/zinc/54/61/63/854546163.db2.gz	QDIWFMKCUIOVNH-UHFFFAOYSA-N	2	0	401.470	4.035	20	30		HIEDRP
C[N@H+](Cc1ccccc1CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CCCCC1	ZINC000304482089	855356188	/nfs/dbraw/zinc/35/61/88/855356188.db2.gz	IRLWISMZHZGCBP-QHCPKHFHSA-N	2	0	406.574	4.379	20	30		HIEDRP
N#CCCC[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1	ZINC000433022448	859483245	/nfs/dbraw/zinc/48/32/45/859483245.db2.gz	KNENLXJBXAQHIV-QHCPKHFHSA-N	2	0	422.598	4.199	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1	ZINC000468026361	881860631	/nfs/dbraw/zinc/86/06/31/881860631.db2.gz	NSYAJLLQRFWBRO-REWPJTCUSA-N	2	0	400.611	4.092	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1	ZINC000468026358	881860903	/nfs/dbraw/zinc/86/09/03/881860903.db2.gz	NSYAJLLQRFWBRO-NFBKMPQASA-N	2	0	400.611	4.092	20	30		HIEDRP
C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000478055531	893208968	/nfs/dbraw/zinc/20/89/68/893208968.db2.gz	RPJQAXHLHPBCFI-YADHBBJMSA-N	2	0	410.606	4.298	20	30		HIEDRP
CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1	ZINC000490435986	904009695	/nfs/dbraw/zinc/00/96/95/904009695.db2.gz	RAJIBMDDUCDTNH-HSZRJFAPSA-N	2	0	413.569	4.303	20	30		HIEDRP
C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592851	904123290	/nfs/dbraw/zinc/12/32/90/904123290.db2.gz	SQZBCXFQSFJFNX-FQEVSTJZSA-N	2	0	405.590	4.435	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1cccc(C#N)c1	ZINC000515522810	923153889	/nfs/dbraw/zinc/15/38/89/923153889.db2.gz	KBQKSISFZXIEIC-VAMGGRTRSA-N	2	0	404.558	4.153	20	30		HIEDRP
COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1OCc1cccc(C#N)c1	ZINC000532486943	931457346	/nfs/dbraw/zinc/45/73/46/931457346.db2.gz	XKVSCWRATDBVGB-UHFFFAOYSA-N	2	0	407.558	4.310	20	30		HIEDRP
N#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)s1	ZINC000538345717	938599249	/nfs/dbraw/zinc/59/92/49/938599249.db2.gz	UJUPATXPHQIIRR-UHFFFAOYSA-N	2	0	422.520	4.331	20	30		HIEDRP
N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1	ZINC000541901476	939650034	/nfs/dbraw/zinc/65/00/34/939650034.db2.gz	AABOWEKEPPEDSP-UHFFFAOYSA-N	2	0	420.626	4.226	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1	ZINC000437085352	862278301	/nfs/dbraw/zinc/27/83/01/862278301.db2.gz	ZUCZLRMJPHGCDM-QUFPEAKPSA-N	2	0	416.569	4.143	20	30		HIEDRP
C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000237494428	854045192	/nfs/dbraw/zinc/04/51/92/854045192.db2.gz	SSRQHPLOMBRISV-IBGZPJMESA-N	2	0	410.537	4.111	20	30		HIEDRP
CCCC[N@H+](C)CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000303575899	855051516	/nfs/dbraw/zinc/05/15/16/855051516.db2.gz	PVXSTXVMBZLTBO-UHFFFAOYSA-N	2	0	416.635	4.271	20	30		HIEDRP
C[C@@H]([NH2+]C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CCCC1)c1ccccc1	ZINC000304759445	855357649	/nfs/dbraw/zinc/35/76/49/855357649.db2.gz	RFZAMSVUFWPVJW-GOSISDBHSA-N	2	0	408.546	4.238	20	30		HIEDRP
N#C[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295195	876356301	/nfs/dbraw/zinc/35/63/01/876356301.db2.gz	YKHVYOAXQDPOKH-UYAOXDASSA-N	2	0	408.512	4.280	20	30		HIEDRP
N#C[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295193	876356937	/nfs/dbraw/zinc/35/69/37/876356937.db2.gz	YKHVYOAXQDPOKH-ICSRJNTNSA-N	2	0	408.512	4.280	20	30		HIEDRP
Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(-c2ccc(C#N)cc2)n1	ZINC000478324476	893555701	/nfs/dbraw/zinc/55/57/01/893555701.db2.gz	CYIKMLFAOBNRCV-QILAJZQNSA-N	2	0	411.553	4.244	20	30		HIEDRP
C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1	ZINC000480051786	895400601	/nfs/dbraw/zinc/40/06/01/895400601.db2.gz	STZGHYHMIDZTDN-HXUWFJFHSA-N	2	0	413.569	4.480	20	30		HIEDRP
C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1	ZINC000489634248	903510041	/nfs/dbraw/zinc/51/00/41/903510041.db2.gz	MSAKYOIHNAAZTC-UHFFFAOYSA-N	2	0	424.976	4.384	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)Nc1ccccc1C#N	ZINC000515759548	923333072	/nfs/dbraw/zinc/33/30/72/923333072.db2.gz	OKRUHUYIKPGFQW-VAMGGRTRSA-N	2	0	404.558	4.153	20	30		HIEDRP
COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391218	931042100	/nfs/dbraw/zinc/04/21/00/931042100.db2.gz	ZQYSUFSIOOSOAA-NFBKMPQASA-N	2	0	407.558	4.378	20	30		HIEDRP
C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC	ZINC000537615544	938333793	/nfs/dbraw/zinc/33/37/93/938333793.db2.gz	KFNXJTSRFATYAS-CRAIPNDOSA-N	2	0	411.384	4.185	20	30		HIEDRP
C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(Br)cc1C#N	ZINC000554243478	942076517	/nfs/dbraw/zinc/07/65/17/942076517.db2.gz	JAHYKDCPVDMNJZ-UHFFFAOYSA-N	2	0	413.363	4.454	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000560918167	944369199	/nfs/dbraw/zinc/36/91/99/944369199.db2.gz	SHUUYKUYOUXWJS-DEOSSOPVSA-N	2	0	412.622	4.113	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N	ZINC000056162145	850264268	/nfs/dbraw/zinc/26/42/68/850264268.db2.gz	OKRUHUYIKPGFQW-ZCNNSNEGSA-N	2	0	404.558	4.153	20	30		HIEDRP
CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)c1ccc(C#N)cc1	ZINC000060469353	851109614	/nfs/dbraw/zinc/10/96/14/851109614.db2.gz	QXKSUPFWBRNVIU-OAQYLSRUSA-N	2	0	418.585	4.030	20	30		HIEDRP
N#Cc1csc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000237682352	854075113	/nfs/dbraw/zinc/07/51/13/854075113.db2.gz	XAHKLNUJJAHUAR-UHFFFAOYSA-N	2	0	422.520	4.331	20	30		HIEDRP
C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000303508984	854997296	/nfs/dbraw/zinc/99/72/96/854997296.db2.gz	BHVFOQWQNCHMDL-QZTJIDSGSA-N	2	0	402.970	4.127	20	30		HIEDRP
N#CCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c(-c2ccncc2)n1	ZINC000433306020	859629009	/nfs/dbraw/zinc/62/90/09/859629009.db2.gz	PLQVEMBXNSNCLX-UHFFFAOYSA-N	2	0	414.557	4.134	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1	ZINC000531056526	930899883	/nfs/dbraw/zinc/89/98/83/930899883.db2.gz	LPCRHIKUCOQZEW-HXUWFJFHSA-N	2	0	411.512	4.245	20	30		HIEDRP
CN(c1ccccc1C[NH2+]CCSCc1ccccc1C#N)C1CC[NH+](C)CC1	ZINC000532361718	931409254	/nfs/dbraw/zinc/40/92/54/931409254.db2.gz	PPQGDLJWADLQBX-UHFFFAOYSA-N	2	0	408.615	4.112	20	30		HIEDRP
C[C@@H]1C[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1	ZINC000538591105	938657148	/nfs/dbraw/zinc/65/71/48/938657148.db2.gz	XPAFBPPADITUQP-OYRHEFFESA-N	2	0	418.585	4.244	20	30		HIEDRP
CC[NH+](CC)CCOc1ccccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000540972947	939422386	/nfs/dbraw/zinc/42/23/86/939422386.db2.gz	PAUXFSBNYPNUDC-UHFFFAOYSA-N	2	0	406.574	4.355	20	30		HIEDRP
C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1	ZINC000237610167	854061440	/nfs/dbraw/zinc/06/14/40/854061440.db2.gz	SGFRWXUISJUUEF-OYRHEFFESA-N	2	0	407.558	4.116	20	30		HIEDRP
N#Cc1ccc2ncc(C[NH2+]CCCC[NH+]3CCC(Cc4ccccc4)CC3)n2c1	ZINC000237851982	854107524	/nfs/dbraw/zinc/10/75/24/854107524.db2.gz	FCSBVJBXBLFVRR-UHFFFAOYSA-N	2	0	401.558	4.030	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1OC	ZINC000303879570	855266579	/nfs/dbraw/zinc/26/65/79/855266579.db2.gz	GQYCPKHWDLMTMU-HDICACEKSA-N	2	0	410.562	4.109	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1	ZINC000439556791	864882428	/nfs/dbraw/zinc/88/24/28/864882428.db2.gz	HSDSVKQPNHJPHJ-FCHUYYIVSA-N	2	0	418.585	4.343	20	30		HIEDRP
C=CCc1cccc(C(C)C)c1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000475562573	890492628	/nfs/dbraw/zinc/49/26/28/890492628.db2.gz	OAFZGFAHTSMDSA-UHFFFAOYSA-N	2	0	421.589	4.267	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1cccc(C#N)c1	ZINC000515522809	923153770	/nfs/dbraw/zinc/15/37/70/923153770.db2.gz	KBQKSISFZXIEIC-HSALFYBXSA-N	2	0	404.558	4.153	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC1	ZINC000521880134	929530003	/nfs/dbraw/zinc/53/00/03/929530003.db2.gz	HEZCWDQGYFZFMI-JOCHJYFZSA-N	2	0	419.013	4.034	20	30		HIEDRP
C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1	ZINC000537295891	933702459	/nfs/dbraw/zinc/70/24/59/933702459.db2.gz	OLGGKGICYQFNDN-INIZCTEOSA-N	2	0	402.464	4.180	20	30		HIEDRP
CC[NH+](CC)CCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1	ZINC000542014130	939685642	/nfs/dbraw/zinc/68/56/42/939685642.db2.gz	XJMFDDNBALVBKC-UHFFFAOYSA-N	2	0	416.635	4.271	20	30		HIEDRP
C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCN1Cc1ccccc1	ZINC000543770426	940180732	/nfs/dbraw/zinc/18/07/32/940180732.db2.gz	IYNAJHPYWYKARO-HFZDXXHNSA-N	2	0	402.586	4.165	20	30		HIEDRP
N#Cc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1	ZINC000556873448	942946940	/nfs/dbraw/zinc/94/69/40/942946940.db2.gz	YJMCTAIPOMNFJB-VORXZUAXSA-N	2	0	400.570	4.312	20	30		HIEDRP
N#Cc1cnn2cc(C[NH2+]Cc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)cnc12	ZINC000573985016	948340930	/nfs/dbraw/zinc/34/09/30/948340930.db2.gz	MAQSMBSGSWCRGN-UHFFFAOYSA-N	2	0	422.536	4.154	20	30		HIEDRP
CC(C)(C)[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](C(C)(C)C)CC3)n2)CC1	ZINC000302842707	854652418	/nfs/dbraw/zinc/65/24/18/854652418.db2.gz	MQIOUQLQQMVNRV-UHFFFAOYSA-N	2	0	412.626	4.303	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1	ZINC000303383908	854902710	/nfs/dbraw/zinc/90/27/10/854902710.db2.gz	XXLARXBFKBBUKK-NHCUHLMSSA-N	2	0	412.622	4.004	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1	ZINC000303383909	854903004	/nfs/dbraw/zinc/90/30/04/854903004.db2.gz	XXLARXBFKBBUKK-OYRHEFFESA-N	2	0	412.622	4.004	20	30		HIEDRP
COc1ccc(OC)c(NC(=[NH2+])NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1	ZINC000304756768	855357262	/nfs/dbraw/zinc/35/72/62/855357262.db2.gz	NZHMXZFKQJVXHK-UHFFFAOYSA-N	2	0	424.589	4.165	20	30		HIEDRP
C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCc2cccs2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000304756556	855357971	/nfs/dbraw/zinc/35/79/71/855357971.db2.gz	NTXZJAZVPJTGML-VQIMIIECSA-N	2	0	424.536	4.297	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)N(CCC#N)c1ccccc1	ZINC000439556793	864882392	/nfs/dbraw/zinc/88/23/92/864882392.db2.gz	HSDSVKQPNHJPHJ-VXKWHMMOSA-N	2	0	418.585	4.343	20	30		HIEDRP
N#C[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295192	876356456	/nfs/dbraw/zinc/35/64/56/876356456.db2.gz	YKHVYOAXQDPOKH-AZUAARDMSA-N	2	0	408.512	4.280	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)C(=O)N(CCC#N)c1ccccc1	ZINC000479507789	894822034	/nfs/dbraw/zinc/82/20/34/894822034.db2.gz	DBUIZTWIMXPPJX-QFIPXVFZSA-N	2	0	418.585	4.343	20	30		HIEDRP
COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)c1	ZINC000481922089	897306372	/nfs/dbraw/zinc/30/63/72/897306372.db2.gz	MDOXTMOADNBEFH-RUZDIDTESA-N	2	0	407.558	4.073	20	30		HIEDRP
C[NH+](C)CCCC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000501784266	910839459	/nfs/dbraw/zinc/83/94/59/910839459.db2.gz	DVIWMYXLZZCAEA-UHFFFAOYSA-N	2	0	416.635	4.271	20	30		HIEDRP
C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC	ZINC000537615549	938333742	/nfs/dbraw/zinc/33/37/42/938333742.db2.gz	KFNXJTSRFATYAS-YJBOKZPZSA-N	2	0	411.384	4.185	20	30		HIEDRP
C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC	ZINC000537615548	938334051	/nfs/dbraw/zinc/33/40/51/938334051.db2.gz	KFNXJTSRFATYAS-QAPCUYQASA-N	2	0	411.384	4.185	20	30		HIEDRP
N#Cc1ccc(CN2CCC([NH2+]CC3CC[NH+](Cc4cccs4)CC3)CC2)cc1	ZINC000540596424	939315495	/nfs/dbraw/zinc/31/54/95/939315495.db2.gz	VAAOMQZZYCLPJY-UHFFFAOYSA-N	2	0	408.615	4.086	20	30		HIEDRP
C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1	ZINC000540708210	939344830	/nfs/dbraw/zinc/34/48/30/939344830.db2.gz	NPWLBWOMJBVRDG-HNNXBMFYSA-N	2	0	420.454	4.319	20	30		HIEDRP
C=CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000561191333	944508745	/nfs/dbraw/zinc/50/87/45/944508745.db2.gz	AIODJOYOLFRJMF-HXUWFJFHSA-N	2	0	409.496	4.045	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(N(C)CCC#N)cc2)CC1	ZINC000236984794	853947534	/nfs/dbraw/zinc/94/75/34/853947534.db2.gz	QHGSSDITOQFXCY-FQEVSTJZSA-N	2	0	423.580	4.168	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1	ZINC000303383910	854903046	/nfs/dbraw/zinc/90/30/46/854903046.db2.gz	XXLARXBFKBBUKK-SFTDATJTSA-N	2	0	412.622	4.004	20	30		HIEDRP
COc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1OC	ZINC000303879573	855266698	/nfs/dbraw/zinc/26/66/98/855266698.db2.gz	GQYCPKHWDLMTMU-QZTJIDSGSA-N	2	0	410.562	4.109	20	30		HIEDRP
COc1ccc(CNC(=[NH2+])NCc2ccccc2C[N@H+](C)C2CCCCC2)cc1OC	ZINC000303893884	855274790	/nfs/dbraw/zinc/27/47/90/855274790.db2.gz	SERXFKWOYCSNMK-UHFFFAOYSA-N	2	0	424.589	4.073	20	30		HIEDRP
CCc1cccc(CC)c1NC(=[NH2+])NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1	ZINC000304762371	855358937	/nfs/dbraw/zinc/35/89/37/855358937.db2.gz	VPWWOHBHIGHQTG-IBGZPJMESA-N	2	0	408.590	4.438	20	30		HIEDRP
C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000305666562	855361180	/nfs/dbraw/zinc/36/11/80/855361180.db2.gz	IGMXVADHRSSCON-UWJYYQICSA-N	2	0	400.929	4.387	20	30		HIEDRP
C=CCOc1cccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)c1	ZINC000462725858	875803545	/nfs/dbraw/zinc/80/35/45/875803545.db2.gz	NWJOXIVIAVPWOP-UHFFFAOYSA-N	2	0	419.491	4.312	20	30		HIEDRP
C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000495373215	906411146	/nfs/dbraw/zinc/41/11/46/906411146.db2.gz	DIOYCCWFJPGIAD-SQJMNOBHSA-N	2	0	402.586	4.023	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C(=O)Nc1ccccc1C#N	ZINC000515759547	923332036	/nfs/dbraw/zinc/33/20/36/923332036.db2.gz	OKRUHUYIKPGFQW-HSALFYBXSA-N	2	0	404.558	4.153	20	30		HIEDRP
CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662905	930791115	/nfs/dbraw/zinc/79/11/15/930791115.db2.gz	OADMEKQMFIWTMU-DLBZAZTESA-N	2	0	402.608	4.022	20	30		HIEDRP
N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C[NH+]4CCSCC4)c3)CC2)cc1	ZINC000540787409	939372518	/nfs/dbraw/zinc/37/25/18/939372518.db2.gz	MAPQLKMXNIWFOG-UHFFFAOYSA-N	2	0	406.599	4.184	20	30		HIEDRP
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1	ZINC000437085347	862279216	/nfs/dbraw/zinc/27/92/16/862279216.db2.gz	ZUCZLRMJPHGCDM-MQEXIPMMSA-N	2	0	416.569	4.143	20	30		HIEDRP
[NH2+]=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1	ZINC000303368832	854895254	/nfs/dbraw/zinc/89/52/54/854895254.db2.gz	JAACYHFKOSKGCA-UHFFFAOYSA-N	2	0	419.495	4.034	20	30		HIEDRP
CC1CC[NH+]([C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c2cccs2)CC1	ZINC000303789288	855199579	/nfs/dbraw/zinc/19/95/79/855199579.db2.gz	VFPLYXZCHUUPJR-GOSISDBHSA-N	2	0	414.575	4.109	20	30		HIEDRP
C[N@H+](Cc1ccccc1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CCCCC1	ZINC000304482085	855356656	/nfs/dbraw/zinc/35/66/56/855356656.db2.gz	IRLWISMZHZGCBP-HSZRJFAPSA-N	2	0	406.574	4.379	20	30		HIEDRP
OC1CC[NH+](Cc2ccc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)cc2)CC1	ZINC000304742602	855357620	/nfs/dbraw/zinc/35/76/20/855357620.db2.gz	CRDUVUMFCXFLII-UHFFFAOYSA-N	2	0	406.574	4.097	20	30		HIEDRP
C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)[C@@H]1c1ccc(Cl)c(F)c1	ZINC000305666559	855361110	/nfs/dbraw/zinc/36/11/10/855361110.db2.gz	IGMXVADHRSSCON-UTKZUKDTSA-N	2	0	400.929	4.387	20	30		HIEDRP
Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)CC1	ZINC000433016319	859479642	/nfs/dbraw/zinc/47/96/42/859479642.db2.gz	PMLGHONMWCMCCJ-RUZDIDTESA-N	2	0	418.585	4.100	20	30		HIEDRP
N#CCCC[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1ccccc1	ZINC000433022445	859482951	/nfs/dbraw/zinc/48/29/51/859482951.db2.gz	KNENLXJBXAQHIV-HSZRJFAPSA-N	2	0	422.598	4.199	20	30		HIEDRP
C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1	ZINC000439556794	864882340	/nfs/dbraw/zinc/88/23/40/864882340.db2.gz	HSDSVKQPNHJPHJ-YADHBBJMSA-N	2	0	418.585	4.343	20	30		HIEDRP
C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)N(CCC#N)c1ccccc1	ZINC000439556792	864882522	/nfs/dbraw/zinc/88/25/22/864882522.db2.gz	HSDSVKQPNHJPHJ-FGZHOGPDSA-N	2	0	418.585	4.343	20	30		HIEDRP
C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1F	ZINC000512674589	921283672	/nfs/dbraw/zinc/28/36/72/921283672.db2.gz	XXYRWZLRWNJBIR-SFHVURJKSA-N	2	0	411.521	4.038	20	30		HIEDRP
C[C@H]1C[C@@H](CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000539509077	938870790	/nfs/dbraw/zinc/87/07/90/938870790.db2.gz	SRLILKPBRZGVMG-BKMJKUGQSA-N	2	0	416.613	4.413	20	30		HIEDRP
Cc1c(C[NH+]2CCSCC2)cccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000543759165	940177138	/nfs/dbraw/zinc/17/71/38/940177138.db2.gz	LNIAWCQYZUODSP-UHFFFAOYSA-N	2	0	420.626	4.492	20	30		HIEDRP
C[C@@H]1C[C@H](CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1	ZINC000573708765	948278785	/nfs/dbraw/zinc/27/87/85/948278785.db2.gz	YGDASGXNVAZSIC-QPPBQGQZSA-N	2	0	402.586	4.417	20	30		HIEDRP
CC(C)C[NH+]1CCC(Nc2ccc(C#N)c(NC3CC[NH+](CC(C)C)CC3)n2)CC1	ZINC000302624879	854593567	/nfs/dbraw/zinc/59/35/67/854593567.db2.gz	APQCAXNJHGLQPJ-UHFFFAOYSA-N	2	0	412.626	4.018	20	30		HIEDRP
CCc1cccc(CC)c1NC(=[NH2+])NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1	ZINC000304762372	855359138	/nfs/dbraw/zinc/35/91/38/855359138.db2.gz	VPWWOHBHIGHQTG-LJQANCHMSA-N	2	0	408.590	4.438	20	30		HIEDRP
C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1	ZINC000478204826	893367647	/nfs/dbraw/zinc/36/76/47/893367647.db2.gz	ZDNUCDUSTMYYNM-OFNKIYASSA-N	2	0	413.569	4.349	20	30		HIEDRP
CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000480021024	895371388	/nfs/dbraw/zinc/37/13/88/895371388.db2.gz	OYEWAYRTQRWWPL-UHFFFAOYSA-N	2	0	413.569	4.480	20	30		HIEDRP
CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000492785793	904904702	/nfs/dbraw/zinc/90/47/02/904904702.db2.gz	VMRBHHOGSHKYHX-MRXNPFEDSA-N	2	0	410.587	4.067	20	30		HIEDRP
C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599489	939563810	/nfs/dbraw/zinc/56/38/10/939563810.db2.gz	GWDGRHFWDVLBPZ-IAGOWNOFSA-N	2	0	414.619	4.070	20	30		HIEDRP
Cc1cc(C[NH+]2CCSCC2)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000541901510	939650209	/nfs/dbraw/zinc/65/02/09/939650209.db2.gz	KWLMJFOBORFZIC-UHFFFAOYSA-N	2	0	420.626	4.492	20	30		HIEDRP
CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)CC1	ZINC000544487734	940453756	/nfs/dbraw/zinc/45/37/56/940453756.db2.gz	OWAQHMWNYQOYLZ-UHFFFAOYSA-N	2	0	402.586	4.075	20	30		HIEDRP
C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)cc2)C[C@@H](C)O1	ZINC000564416079	945568613	/nfs/dbraw/zinc/56/86/13/945568613.db2.gz	XFLWSTNJXZWRTP-IAGOWNOFSA-N	2	0	417.475	4.476	20	30		HIEDRP
N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CCC2	ZINC000110182617	853070741	/nfs/dbraw/zinc/07/07/41/853070741.db2.gz	JHPVGQMDRBGEGF-UHFFFAOYSA-N	2	0	414.619	4.025	20	30		HIEDRP
N#Cc1c(NC(=O)CCN2CCC([NH+]3CCCCC3)CC2)sc2c1CCCCC2	ZINC000117398975	853355443	/nfs/dbraw/zinc/35/54/43/853355443.db2.gz	AIARAMDXFXWLCA-UHFFFAOYSA-N	2	0	414.619	4.168	20	30		HIEDRP
CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)CC1	ZINC000236985386	853947647	/nfs/dbraw/zinc/94/76/47/853947647.db2.gz	DGQMIYMWSUXAIH-OALUTQOASA-N	2	0	410.537	4.109	20	30		HIEDRP
CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1	ZINC000303784951	855197121	/nfs/dbraw/zinc/19/71/21/855197121.db2.gz	PYBHKRNIJUWAAO-UHFFFAOYSA-N	2	0	408.546	4.007	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1	ZINC000303870964	855262528	/nfs/dbraw/zinc/26/25/28/855262528.db2.gz	BMNVGRUHCSKNCX-RTBURBONSA-N	2	0	410.562	4.010	20	30		HIEDRP
CC(C)Oc1ccc(NC(=[NH2+])NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000304669232	855357681	/nfs/dbraw/zinc/35/76/81/855357681.db2.gz	BSZHIIHUHHWYAJ-UHFFFAOYSA-N	2	0	424.589	4.272	20	30		HIEDRP
[NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccccc1OC(F)(F)F	ZINC000305229115	855360364	/nfs/dbraw/zinc/36/03/64/855360364.db2.gz	LKXMCMLXELVWBA-UHFFFAOYSA-N	2	0	406.452	4.498	20	30		HIEDRP
C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(C#N)(c1ccccc1)c1ccccc1	ZINC000444667204	868945838	/nfs/dbraw/zinc/94/58/38/868945838.db2.gz	SIHSNEZJBQZKBP-DSNGMDLFSA-N	2	0	403.570	4.070	20	30		HIEDRP
C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983810	895337809	/nfs/dbraw/zinc/33/78/09/895337809.db2.gz	PFBVEFMWCBJKEP-FQEVSTJZSA-N	2	0	413.569	4.480	20	30		HIEDRP
C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2cccc(C(F)(F)F)c2)[NH+](CC)CC)CC1	ZINC000531056525	930899701	/nfs/dbraw/zinc/89/97/01/930899701.db2.gz	LPCRHIKUCOQZEW-FQEVSTJZSA-N	2	0	411.512	4.245	20	30		HIEDRP
C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC	ZINC000537615546	938334162	/nfs/dbraw/zinc/33/41/62/938334162.db2.gz	KFNXJTSRFATYAS-MAUKXSAKSA-N	2	0	411.384	4.185	20	30		HIEDRP
N#Cc1cccc(COc2cccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)c2)c1	ZINC000539825655	938947121	/nfs/dbraw/zinc/94/71/21/938947121.db2.gz	WKNKXKLDRUEYJT-UHFFFAOYSA-N	2	0	419.569	4.214	20	30		HIEDRP
N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1	ZINC000540598720	939315742	/nfs/dbraw/zinc/31/57/42/939315742.db2.gz	PTPZCYAZRRCGHC-UHFFFAOYSA-N	2	0	402.586	4.298	20	30		HIEDRP
Cc1ccc(C[NH+]2CCSCC2)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000542831148	939861689	/nfs/dbraw/zinc/86/16/89/939861689.db2.gz	GYOINJYQIGDIJQ-UHFFFAOYSA-N	2	0	420.626	4.492	20	30		HIEDRP
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1	ZINC000543775085	940181554	/nfs/dbraw/zinc/18/15/54/940181554.db2.gz	APKZJZRDTWGJAA-JNLGVIEDSA-N	2	0	403.570	4.137	20	30		HIEDRP
C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891605	944077771	/nfs/dbraw/zinc/07/77/71/944077771.db2.gz	DGSWRXPTJVXAQG-CVDCTZTESA-N	2	0	407.533	4.277	20	30		HIEDRP