smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195692	893357526	/nfs/dbraw/zinc/35/75/26/893357526.db2.gz	KTAGNZXYRCONGK-AUSIDOKSSA-N	1	3	405.571	4.193	20	30		HIEDHO
Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195692	893357546	/nfs/dbraw/zinc/35/75/46/893357546.db2.gz	KTAGNZXYRCONGK-AUSIDOKSSA-N	1	3	405.571	4.193	20	30		HIEDHO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C	ZINC000481174511	896509975	/nfs/dbraw/zinc/50/99/75/896509975.db2.gz	HSIYBPWJQMOZHS-QPPBQGQZSA-N	1	3	418.585	4.050	20	30		HIEDHO
CC(C)[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000514008157	922331568	/nfs/dbraw/zinc/33/15/68/922331568.db2.gz	BWGRSORNBALLBL-UHFFFAOYSA-N	1	3	402.608	4.022	20	30		HIEDHO
COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391220	931042083	/nfs/dbraw/zinc/04/20/83/931042083.db2.gz	ZQYSUFSIOOSOAA-OFNKIYASSA-N	1	3	407.558	4.378	20	30		HIEDHO
COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391220	931042086	/nfs/dbraw/zinc/04/20/86/931042086.db2.gz	ZQYSUFSIOOSOAA-OFNKIYASSA-N	1	3	407.558	4.378	20	30		HIEDHO
C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125229	860652007	/nfs/dbraw/zinc/65/20/07/860652007.db2.gz	VXHFWLDBUIKYFL-NRFANRHFSA-N	1	3	420.605	4.335	20	30		HIEDHO
C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125229	860652014	/nfs/dbraw/zinc/65/20/14/860652014.db2.gz	VXHFWLDBUIKYFL-NRFANRHFSA-N	1	3	420.605	4.335	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195703	893357193	/nfs/dbraw/zinc/35/71/93/893357193.db2.gz	KTAGNZXYRCONGK-CVDCTZTESA-N	1	3	405.571	4.193	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195703	893357215	/nfs/dbraw/zinc/35/72/15/893357215.db2.gz	KTAGNZXYRCONGK-CVDCTZTESA-N	1	3	405.571	4.193	20	30		HIEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000512829925	921334482	/nfs/dbraw/zinc/33/44/82/921334482.db2.gz	VVXOQYFNKVLTAD-UHFFFAOYSA-N	1	3	416.491	4.269	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161930	908516453	/nfs/dbraw/zinc/51/64/53/908516453.db2.gz	OTQGDCICQNIBOL-YCAMKHIRSA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161930	908516463	/nfs/dbraw/zinc/51/64/63/908516463.db2.gz	OTQGDCICQNIBOL-YCAMKHIRSA-N	1	3	418.560	4.451	20	30		HIEDHO
Cn1cc(C[N@@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000512245590	921002983	/nfs/dbraw/zinc/00/29/83/921002983.db2.gz	QPFIRSUZCAIXMR-SANMLTNESA-N	1	3	411.553	4.057	20	30		HIEDHO
Cn1cc(C[N@H+]2CC[C@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000512245590	921002993	/nfs/dbraw/zinc/00/29/93/921002993.db2.gz	QPFIRSUZCAIXMR-SANMLTNESA-N	1	3	411.553	4.057	20	30		HIEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@H](C)O1	ZINC000237404688	854024552	/nfs/dbraw/zinc/02/45/52/854024552.db2.gz	SGFRWXUISJUUEF-NHCUHLMSSA-N	1	3	407.558	4.116	20	30		HIEDHO
C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000481180732	896521206	/nfs/dbraw/zinc/52/12/06/896521206.db2.gz	XRLFYCCBHMUMOI-XXBNENTESA-N	1	3	424.976	4.087	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161929	908516538	/nfs/dbraw/zinc/51/65/38/908516538.db2.gz	OTQGDCICQNIBOL-XQUALCHDSA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161929	908516547	/nfs/dbraw/zinc/51/65/47/908516547.db2.gz	OTQGDCICQNIBOL-XQUALCHDSA-N	1	3	418.560	4.451	20	30		HIEDHO
CN(c1ccccc1CN1CC=C(c2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1	ZINC000535840980	933426226	/nfs/dbraw/zinc/42/62/26/933426226.db2.gz	QQKOPLFCZYGXJE-UHFFFAOYSA-N	1	3	400.570	4.378	20	30		HIEDHO
C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891607	944078037	/nfs/dbraw/zinc/07/80/37/944078037.db2.gz	DGSWRXPTJVXAQG-XXBNENTESA-N	1	3	407.533	4.277	20	30		HIEDHO
CN1CCCC[C@@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000441357420	866426978	/nfs/dbraw/zinc/42/69/78/866426978.db2.gz	NQEUXSGWZBIXHZ-QGZVFWFLSA-N	1	3	402.608	4.023	20	30		HIEDHO
CN1CCCC[C@@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000441357420	866426984	/nfs/dbraw/zinc/42/69/84/866426984.db2.gz	NQEUXSGWZBIXHZ-QGZVFWFLSA-N	1	3	402.608	4.023	20	30		HIEDHO
CC[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531062	871396079	/nfs/dbraw/zinc/39/60/79/871396079.db2.gz	PTLFYCGFKNCLKT-RUZDIDTESA-N	1	3	407.558	4.289	20	30		HIEDHO
CC[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531062	871396098	/nfs/dbraw/zinc/39/60/98/871396098.db2.gz	PTLFYCGFKNCLKT-RUZDIDTESA-N	1	3	407.558	4.289	20	30		HIEDHO
Cn1cc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000479930371	895280190	/nfs/dbraw/zinc/28/01/90/895280190.db2.gz	VYXAHSNXLAOGQN-LJQANCHMSA-N	1	3	405.571	4.022	20	30		HIEDHO
Cn1cc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000479930371	895280204	/nfs/dbraw/zinc/28/02/04/895280204.db2.gz	VYXAHSNXLAOGQN-LJQANCHMSA-N	1	3	405.571	4.022	20	30		HIEDHO
C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000512599716	921254871	/nfs/dbraw/zinc/25/48/71/921254871.db2.gz	IFSMEQSDKIWYEI-UHFFFAOYSA-N	1	3	418.585	4.367	20	30		HIEDHO
C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1	ZINC000512599716	921254876	/nfs/dbraw/zinc/25/48/76/921254876.db2.gz	IFSMEQSDKIWYEI-UHFFFAOYSA-N	1	3	418.585	4.367	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC	ZINC000539818816	938942744	/nfs/dbraw/zinc/94/27/44/938942744.db2.gz	NVWHFSVGTSTAMM-DOTOQJQBSA-N	1	3	411.384	4.327	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1OC	ZINC000539818816	938942747	/nfs/dbraw/zinc/94/27/47/938942747.db2.gz	NVWHFSVGTSTAMM-DOTOQJQBSA-N	1	3	411.384	4.327	20	30		HIEDHO
CC(C)[NH+]1CCN(c2cccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c2)CC1	ZINC000540744854	939356363	/nfs/dbraw/zinc/35/63/63/939356363.db2.gz	VZNRKKOOSKWIFG-UHFFFAOYSA-N	1	3	417.601	4.165	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170110	884448256	/nfs/dbraw/zinc/44/82/56/884448256.db2.gz	OTQGDCICQNIBOL-KWDCZQRMSA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170110	884448265	/nfs/dbraw/zinc/44/82/65/884448265.db2.gz	OTQGDCICQNIBOL-KWDCZQRMSA-N	1	3	418.560	4.451	20	30		HIEDHO
CCN1CCN(Cc2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)CC1	ZINC000481919451	897304568	/nfs/dbraw/zinc/30/45/68/897304568.db2.gz	RYBMEEZEIMTXHB-SANMLTNESA-N	1	3	402.586	4.253	20	30		HIEDHO
CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662912	930791464	/nfs/dbraw/zinc/79/14/64/930791464.db2.gz	OADMEKQMFIWTMU-SJORKVTESA-N	1	3	402.608	4.022	20	30		HIEDHO
CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662912	930791468	/nfs/dbraw/zinc/79/14/68/930791468.db2.gz	OADMEKQMFIWTMU-SJORKVTESA-N	1	3	402.608	4.022	20	30		HIEDHO
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599490	939563847	/nfs/dbraw/zinc/56/38/47/939563847.db2.gz	GWDGRHFWDVLBPZ-IRXDYDNUSA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000541599490	939563850	/nfs/dbraw/zinc/56/38/50/939563850.db2.gz	GWDGRHFWDVLBPZ-IRXDYDNUSA-N	1	3	414.619	4.070	20	30		HIEDHO
C=C(C)C[NH+]1CCC(NCc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1	ZINC000236692294	853912319	/nfs/dbraw/zinc/91/23/19/853912319.db2.gz	NDCRNPRDANJDNS-UHFFFAOYSA-N	1	3	404.558	4.352	20	30		HIEDHO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1	ZINC000481169829	896505601	/nfs/dbraw/zinc/50/56/01/896505601.db2.gz	GHUMOXXCFPELLU-RCZVLFRGSA-N	1	3	418.585	4.050	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161927	908516089	/nfs/dbraw/zinc/51/60/89/908516089.db2.gz	OTQGDCICQNIBOL-JLLPCOHGSA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](N[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161927	908516096	/nfs/dbraw/zinc/51/60/96/908516096.db2.gz	OTQGDCICQNIBOL-JLLPCOHGSA-N	1	3	418.560	4.451	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1OCC	ZINC000508571238	917345703	/nfs/dbraw/zinc/34/57/03/917345703.db2.gz	UAFAIJQEBGOYRR-MRXNPFEDSA-N	1	3	411.384	4.186	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1OCC	ZINC000508571238	917345707	/nfs/dbraw/zinc/34/57/07/917345707.db2.gz	UAFAIJQEBGOYRR-MRXNPFEDSA-N	1	3	411.384	4.186	20	30		HIEDHO
CC(C)OCC[NH+]1CCC(NCc2cccc(OCc3cccc(C#N)c3)c2)CC1	ZINC000530631042	930779218	/nfs/dbraw/zinc/77/92/18/930779218.db2.gz	MJIGTKRZGXPKFQ-UHFFFAOYSA-N	1	3	407.558	4.116	20	30		HIEDHO
C=CCC[C@@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1	ZINC000557547992	943202652	/nfs/dbraw/zinc/20/26/52/943202652.db2.gz	VHURLWSZFFDPNY-RUZDIDTESA-N	1	3	405.586	4.373	20	30		HIEDHO
N#C[C@@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295194	876357090	/nfs/dbraw/zinc/35/70/90/876357090.db2.gz	YKHVYOAXQDPOKH-QUCCMNQESA-N	1	3	408.512	4.280	20	30		HIEDHO
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@H]43)CC2)nc1	ZINC000507465633	916233547	/nfs/dbraw/zinc/23/35/47/916233547.db2.gz	BKLDRZOILPSRQR-MQEXIPMMSA-N	1	3	416.569	4.143	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1OCC	ZINC000508571235	917345338	/nfs/dbraw/zinc/34/53/38/917345338.db2.gz	UAFAIJQEBGOYRR-INIZCTEOSA-N	1	3	411.384	4.186	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1OCC	ZINC000508571235	917345349	/nfs/dbraw/zinc/34/53/49/917345349.db2.gz	UAFAIJQEBGOYRR-INIZCTEOSA-N	1	3	411.384	4.186	20	30		HIEDHO
CC(C)OCC[NH+]1CCC(NCc2cccc(OCc3ccccc3C#N)c2)CC1	ZINC000530870433	930844099	/nfs/dbraw/zinc/84/40/99/930844099.db2.gz	MYXRBOHDDMLNCP-UHFFFAOYSA-N	1	3	407.558	4.116	20	30		HIEDHO
C=CCC[C@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000561191331	944507953	/nfs/dbraw/zinc/50/79/53/944507953.db2.gz	AIODJOYOLFRJMF-FQEVSTJZSA-N	1	3	409.496	4.045	20	30		HIEDHO
CCC[NH+]1CCN(c2ccccc2CNCc2cccc(O[C@H](C#N)CC)c2)CC1	ZINC000236803361	853924576	/nfs/dbraw/zinc/92/45/76/853924576.db2.gz	SUUITWGESZVACD-QHCPKHFHSA-N	1	3	406.574	4.189	20	30		HIEDHO
N#CCCn1cc(C[NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)c(-c2ccccc2)n1	ZINC000237830912	854105547	/nfs/dbraw/zinc/10/55/47/854105547.db2.gz	CVBHDHHVMYEUTL-QHCPKHFHSA-N	1	3	413.569	4.118	20	30		HIEDHO
C=CCSc1ccccc1NC(=O)CN(C)CC1CCN(c2cc[nH+]cc2)CC1	ZINC000501023851	910242431	/nfs/dbraw/zinc/24/24/31/910242431.db2.gz	LZXHBPUCPCVWML-UHFFFAOYSA-N	1	3	410.587	4.147	20	30		HIEDHO
COc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391221	931041891	/nfs/dbraw/zinc/04/18/91/931041891.db2.gz	ZQYSUFSIOOSOAA-REWPJTCUSA-N	1	3	407.558	4.378	20	30		HIEDHO
COc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391221	931041898	/nfs/dbraw/zinc/04/18/98/931041898.db2.gz	ZQYSUFSIOOSOAA-REWPJTCUSA-N	1	3	407.558	4.378	20	30		HIEDHO
C[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507840	938638413	/nfs/dbraw/zinc/63/84/13/938638413.db2.gz	HBWCDXUNQUAJJG-SFHVURJKSA-N	1	3	411.521	4.038	20	30		HIEDHO
C[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507840	938638415	/nfs/dbraw/zinc/63/84/15/938638415.db2.gz	HBWCDXUNQUAJJG-SFHVURJKSA-N	1	3	411.521	4.038	20	30		HIEDHO
C[C@H]1CN(CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1	ZINC000062252806	851516741	/nfs/dbraw/zinc/51/67/41/851516741.db2.gz	SGFRWXUISJUUEF-SFTDATJTSA-N	1	3	407.558	4.116	20	30		HIEDHO
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1	ZINC000437085349	862278915	/nfs/dbraw/zinc/27/89/15/862278915.db2.gz	ZUCZLRMJPHGCDM-PKFSMUTISA-N	1	3	416.569	4.143	20	30		HIEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125238	860652086	/nfs/dbraw/zinc/65/20/86/860652086.db2.gz	VXHFWLDBUIKYFL-OAQYLSRUSA-N	1	3	420.605	4.335	20	30		HIEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1	ZINC000435125238	860652091	/nfs/dbraw/zinc/65/20/91/860652091.db2.gz	VXHFWLDBUIKYFL-OAQYLSRUSA-N	1	3	420.605	4.335	20	30		HIEDHO
CC[C@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531066	871396264	/nfs/dbraw/zinc/39/62/64/871396264.db2.gz	PTLFYCGFKNCLKT-VWLOTQADSA-N	1	3	407.558	4.289	20	30		HIEDHO
CC[C@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)cc1	ZINC000447531066	871396287	/nfs/dbraw/zinc/39/62/87/871396287.db2.gz	PTLFYCGFKNCLKT-VWLOTQADSA-N	1	3	407.558	4.289	20	30		HIEDHO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1	ZINC000481169827	896504831	/nfs/dbraw/zinc/50/48/31/896504831.db2.gz	GHUMOXXCFPELLU-DHLKQENFSA-N	1	3	418.585	4.050	20	30		HIEDHO
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@@H]34)CC2)nc1	ZINC000507465612	916234034	/nfs/dbraw/zinc/23/40/34/916234034.db2.gz	BKLDRZOILPSRQR-JEZXRVLCSA-N	1	3	416.569	4.143	20	30		HIEDHO
CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662909	930790685	/nfs/dbraw/zinc/79/06/85/930790685.db2.gz	OADMEKQMFIWTMU-IAGOWNOFSA-N	1	3	402.608	4.022	20	30		HIEDHO
CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C	ZINC000530662909	930790690	/nfs/dbraw/zinc/79/06/90/930790690.db2.gz	OADMEKQMFIWTMU-IAGOWNOFSA-N	1	3	402.608	4.022	20	30		HIEDHO
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599491	939564044	/nfs/dbraw/zinc/56/40/44/939564044.db2.gz	GWDGRHFWDVLBPZ-SJORKVTESA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000541599491	939564046	/nfs/dbraw/zinc/56/40/46/939564046.db2.gz	GWDGRHFWDVLBPZ-SJORKVTESA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599488	939564074	/nfs/dbraw/zinc/56/40/74/939564074.db2.gz	GWDGRHFWDVLBPZ-DLBZAZTESA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000541599488	939564076	/nfs/dbraw/zinc/56/40/76/939564076.db2.gz	GWDGRHFWDVLBPZ-DLBZAZTESA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000481180731	896520262	/nfs/dbraw/zinc/52/02/62/896520262.db2.gz	XRLFYCCBHMUMOI-WMZHIEFXSA-N	1	3	424.976	4.087	20	30		HIEDHO
N#Cc1c(NC(=O)CCN2CCC(C[NH+]3CCCC3)CC2)sc2c1CCCCC2	ZINC000488435517	902825717	/nfs/dbraw/zinc/82/57/17/902825717.db2.gz	PSTAUNKSGKJBIG-UHFFFAOYSA-N	1	3	414.619	4.025	20	30		HIEDHO
CN(c1ccccc1CN1CCC(Oc2ccc(C#N)cc2)CC1)C1CC[NH+](C)CC1	ZINC000513737271	922057502	/nfs/dbraw/zinc/05/75/02/922057502.db2.gz	YYIPQFKZZZOLBK-UHFFFAOYSA-N	1	3	418.585	4.132	20	30		HIEDHO
Cn1cc(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000520898829	928865572	/nfs/dbraw/zinc/86/55/72/928865572.db2.gz	BUFOKHKXDXYKAO-QHCPKHFHSA-N	1	3	413.569	4.351	20	30		HIEDHO
C[C@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1	ZINC000237610239	854061846	/nfs/dbraw/zinc/06/18/46/854061846.db2.gz	OLXZBTXJRGHIJY-SFTDATJTSA-N	1	3	407.558	4.116	20	30		HIEDHO
C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592852	904123001	/nfs/dbraw/zinc/12/30/01/904123001.db2.gz	SQZBCXFQSFJFNX-HXUWFJFHSA-N	1	3	405.590	4.435	20	30		HIEDHO
C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592852	904123009	/nfs/dbraw/zinc/12/30/09/904123009.db2.gz	SQZBCXFQSFJFNX-HXUWFJFHSA-N	1	3	405.590	4.435	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC	ZINC000539818820	938942318	/nfs/dbraw/zinc/94/23/18/938942318.db2.gz	NVWHFSVGTSTAMM-WBVHZDCISA-N	1	3	411.384	4.327	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(CC)[C@H](C)C2)cc1OC	ZINC000539818820	938942319	/nfs/dbraw/zinc/94/23/19/938942319.db2.gz	NVWHFSVGTSTAMM-WBVHZDCISA-N	1	3	411.384	4.327	20	30		HIEDHO
C[C@@H](NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507839	938638274	/nfs/dbraw/zinc/63/82/74/938638274.db2.gz	HBWCDXUNQUAJJG-GOSISDBHSA-N	1	3	411.521	4.038	20	30		HIEDHO
C[C@@H](NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccc(C#N)c(F)c1	ZINC000538507839	938638278	/nfs/dbraw/zinc/63/82/78/938638278.db2.gz	HBWCDXUNQUAJJG-GOSISDBHSA-N	1	3	411.521	4.038	20	30		HIEDHO
CCC[NH+]1CCC(N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000554099240	942036163	/nfs/dbraw/zinc/03/61/63/942036163.db2.gz	GSIVMJRMUBUMHR-UHFFFAOYSA-N	1	3	402.608	4.023	20	30		HIEDHO
C[N@@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1	ZINC000433320198	859636983	/nfs/dbraw/zinc/63/69/83/859636983.db2.gz	TXYJNJGLLKNYMG-AUSIDOKSSA-N	1	3	420.586	4.093	20	30		HIEDHO
C[N@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1	ZINC000433320198	859636993	/nfs/dbraw/zinc/63/69/93/859636993.db2.gz	TXYJNJGLLKNYMG-AUSIDOKSSA-N	1	3	420.586	4.093	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC	ZINC000539818817	938942024	/nfs/dbraw/zinc/94/20/24/938942024.db2.gz	NVWHFSVGTSTAMM-NVXWUHKLSA-N	1	3	411.384	4.327	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CCN(CC)[C@H](C)C2)cc1OC	ZINC000539818817	938942025	/nfs/dbraw/zinc/94/20/25/938942025.db2.gz	NVWHFSVGTSTAMM-NVXWUHKLSA-N	1	3	411.384	4.327	20	30		HIEDHO
C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891606	944077554	/nfs/dbraw/zinc/07/75/54/944077554.db2.gz	DGSWRXPTJVXAQG-WMZHIEFXSA-N	1	3	407.533	4.277	20	30		HIEDHO
CN(CC#Cc1ccc(C(F)(F)F)cc1)CCC1CC[NH+](C2CCN(C)CC2)CC1	ZINC000430920841	858370823	/nfs/dbraw/zinc/37/08/23/858370823.db2.gz	QLPFHWMFOYLIDF-UHFFFAOYSA-N	1	3	421.551	4.185	20	30		HIEDHO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@@H](CCCC#N)c2ccccc2)CC1	ZINC000433016320	859479883	/nfs/dbraw/zinc/47/98/83/859479883.db2.gz	PMLGHONMWCMCCJ-VWLOTQADSA-N	1	3	418.585	4.100	20	30		HIEDHO
CN(c1ccccc1CN1CCC(Oc2cccc(C#N)c2)CC1)C1CC[NH+](C)CC1	ZINC000510486152	918937791	/nfs/dbraw/zinc/93/77/91/918937791.db2.gz	VWEFGSSTVGGKDA-UHFFFAOYSA-N	1	3	418.585	4.132	20	30		HIEDHO
C=C(C)COc1cc(CNCc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000556407694	942858919	/nfs/dbraw/zinc/85/89/19/942858919.db2.gz	OCCZIXFBKVWODY-UHFFFAOYSA-N	1	3	410.558	4.413	20	30		HIEDHO
C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891604	944078229	/nfs/dbraw/zinc/07/82/29/944078229.db2.gz	DGSWRXPTJVXAQG-AUSIDOKSSA-N	1	3	407.533	4.277	20	30		HIEDHO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)c1	ZINC000481169831	896504228	/nfs/dbraw/zinc/50/42/28/896504228.db2.gz	GHUMOXXCFPELLU-RDGATRHJSA-N	1	3	418.585	4.050	20	30		HIEDHO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C	ZINC000481174516	896509749	/nfs/dbraw/zinc/50/97/49/896509749.db2.gz	HSIYBPWJQMOZHS-XUZZJYLKSA-N	1	3	418.585	4.050	20	30		HIEDHO
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@@H]4CN(Cc5ccccc5)C[C@H]34)CC2)nc1	ZINC000507465638	916232749	/nfs/dbraw/zinc/23/27/49/916232749.db2.gz	BKLDRZOILPSRQR-QUFPEAKPSA-N	1	3	416.569	4.143	20	30		HIEDHO
N#Cc1ccccc1COc1cccc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1	ZINC000538723125	938691402	/nfs/dbraw/zinc/69/14/02/938691402.db2.gz	KXWQHXFQPHRATB-UHFFFAOYSA-N	1	3	419.569	4.214	20	30		HIEDHO
CN(CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc(C#N)cc1OC(F)F	ZINC000538946612	938744548	/nfs/dbraw/zinc/74/45/48/938744548.db2.gz	CXOIMULPPDGNKM-UHFFFAOYSA-N	1	3	400.473	4.293	20	30		HIEDHO
N#Cc1cccc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000030909892	847797367	/nfs/dbraw/zinc/79/73/67/847797367.db2.gz	LRBVPEIOBXXIGM-UHFFFAOYSA-N	1	3	416.491	4.269	20	30		HIEDHO
CN1CCCC[C@H]1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000441357419	866427276	/nfs/dbraw/zinc/42/72/76/866427276.db2.gz	NQEUXSGWZBIXHZ-KRWDZBQOSA-N	1	3	402.608	4.023	20	30		HIEDHO
CN1CCCC[C@H]1CC[N@@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000441357419	866427283	/nfs/dbraw/zinc/42/72/83/866427283.db2.gz	NQEUXSGWZBIXHZ-KRWDZBQOSA-N	1	3	402.608	4.023	20	30		HIEDHO
Cc1cc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)ccc1C#N	ZINC000443971711	868502033	/nfs/dbraw/zinc/50/20/33/868502033.db2.gz	VODQXCPRDOKDGJ-UHFFFAOYSA-N	1	3	410.565	4.479	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161928	908516757	/nfs/dbraw/zinc/51/67/57/908516757.db2.gz	OTQGDCICQNIBOL-NEWJYFPISA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@H](N[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000499161928	908516763	/nfs/dbraw/zinc/51/67/63/908516763.db2.gz	OTQGDCICQNIBOL-NEWJYFPISA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(OC2CCC([NH2+][C@@H]3CC[C@H]4CN(Cc5ccccc5)C[C@@H]43)CC2)nc1	ZINC000507465635	916232088	/nfs/dbraw/zinc/23/20/88/916232088.db2.gz	BKLDRZOILPSRQR-PKFSMUTISA-N	1	3	416.569	4.143	20	30		HIEDHO
CC[N@@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662911	930791319	/nfs/dbraw/zinc/79/13/19/930791319.db2.gz	OADMEKQMFIWTMU-IRXDYDNUSA-N	1	3	402.608	4.022	20	30		HIEDHO
CC[N@H+]1CC[C@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662911	930791323	/nfs/dbraw/zinc/79/13/23/930791323.db2.gz	OADMEKQMFIWTMU-IRXDYDNUSA-N	1	3	402.608	4.022	20	30		HIEDHO
C=CCC[C@H](NCC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)c1ccccc1	ZINC000557547993	943202392	/nfs/dbraw/zinc/20/23/92/943202392.db2.gz	VHURLWSZFFDPNY-VWLOTQADSA-N	1	3	405.586	4.373	20	30		HIEDHO
C[N@@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1	ZINC000433320200	859637923	/nfs/dbraw/zinc/63/79/23/859637923.db2.gz	TXYJNJGLLKNYMG-WMZHIEFXSA-N	1	3	420.586	4.093	20	30		HIEDHO
C[N@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1	ZINC000433320200	859637931	/nfs/dbraw/zinc/63/79/31/859637931.db2.gz	TXYJNJGLLKNYMG-WMZHIEFXSA-N	1	3	420.586	4.093	20	30		HIEDHO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)c1C	ZINC000481174518	896509531	/nfs/dbraw/zinc/50/95/31/896509531.db2.gz	HSIYBPWJQMOZHS-ZJSXRUAMSA-N	1	3	418.585	4.050	20	30		HIEDHO
CCN1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000481922319	897306441	/nfs/dbraw/zinc/30/64/41/897306441.db2.gz	YAHOCWILAYFJJP-AREMUKBSSA-N	1	3	402.586	4.253	20	30		HIEDHO
C[NH+]1CCC(Oc2ccc(CNCc3ccc(C#N)cc3C(F)(F)F)cc2)CC1	ZINC000564496530	945624592	/nfs/dbraw/zinc/62/45/92/945624592.db2.gz	LVMCXSOMKMOWJZ-UHFFFAOYSA-N	1	3	403.448	4.340	20	30		HIEDHO
C[C@]1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC[N@@H+]1Cc1ccccc1	ZINC000433321704	859639522	/nfs/dbraw/zinc/63/95/22/859639522.db2.gz	OGOIRBVHWABBFZ-RUZDIDTESA-N	1	3	414.557	4.003	20	30		HIEDHO
C[C@]1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC[N@H+]1Cc1ccccc1	ZINC000433321704	859639531	/nfs/dbraw/zinc/63/95/31/859639531.db2.gz	OGOIRBVHWABBFZ-RUZDIDTESA-N	1	3	414.557	4.003	20	30		HIEDHO
C[C@@H]1CCC[N@H+](Cc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983812	895337360	/nfs/dbraw/zinc/33/73/60/895337360.db2.gz	PFBVEFMWCBJKEP-HXUWFJFHSA-N	1	3	413.569	4.480	20	30		HIEDHO
C[C@@H]1CCC[N@@H+](Cc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983812	895337381	/nfs/dbraw/zinc/33/73/81/895337381.db2.gz	PFBVEFMWCBJKEP-HXUWFJFHSA-N	1	3	413.569	4.480	20	30		HIEDHO
Cn1cc(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000520898828	928865198	/nfs/dbraw/zinc/86/51/98/928865198.db2.gz	BUFOKHKXDXYKAO-HSZRJFAPSA-N	1	3	413.569	4.351	20	30		HIEDHO
CC[NH+]1CCN(c2ccc(NC3CCN(Cc4ccc(C#N)cc4)CC3)c(C)c2)CC1	ZINC000541901697	939650105	/nfs/dbraw/zinc/65/01/05/939650105.db2.gz	VBRUOCUBKWQLQE-UHFFFAOYSA-N	1	3	417.601	4.085	20	30		HIEDHO
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1	ZINC000437085345	862278046	/nfs/dbraw/zinc/27/80/46/862278046.db2.gz	ZUCZLRMJPHGCDM-JEZXRVLCSA-N	1	3	416.569	4.143	20	30		HIEDHO
N#CCCn1cc(CNCc2ccc(C[NH+]3CCCCC3)cc2)c(-c2ccncc2)n1	ZINC000433303181	859626811	/nfs/dbraw/zinc/62/68/11/859626811.db2.gz	HDUSTNVVAPIGSO-UHFFFAOYSA-N	1	3	414.557	4.134	20	30		HIEDHO
C[N@@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1	ZINC000433320201	859639598	/nfs/dbraw/zinc/63/95/98/859639598.db2.gz	TXYJNJGLLKNYMG-XXBNENTESA-N	1	3	420.586	4.093	20	30		HIEDHO
C[N@H+]1CCC[C@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1	ZINC000433320201	859639603	/nfs/dbraw/zinc/63/96/03/859639603.db2.gz	TXYJNJGLLKNYMG-XXBNENTESA-N	1	3	420.586	4.093	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170111	884448394	/nfs/dbraw/zinc/44/83/94/884448394.db2.gz	OTQGDCICQNIBOL-XALAGWIPSA-N	1	3	418.560	4.451	20	30		HIEDHO
N#Cc1ccc(N2CCC[C@@H](NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c(F)c1	ZINC000470170111	884448405	/nfs/dbraw/zinc/44/84/05/884448405.db2.gz	OTQGDCICQNIBOL-XALAGWIPSA-N	1	3	418.560	4.451	20	30		HIEDHO
CC1CC[NH+](Cc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)CC1	ZINC000479928814	895278327	/nfs/dbraw/zinc/27/83/27/895278327.db2.gz	SNCXDBDKADYLIV-UHFFFAOYSA-N	1	3	413.569	4.480	20	30		HIEDHO
CC(C)[NH+]1CCN(CCCN(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1	ZINC000500139998	909616384	/nfs/dbraw/zinc/61/63/84/909616384.db2.gz	PLGGBHMIXHBLMF-UHFFFAOYSA-N	1	3	408.565	4.116	20	30		HIEDHO
COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1cccc(C#N)c1	ZINC000513138130	921578510	/nfs/dbraw/zinc/57/85/10/921578510.db2.gz	DHHCRYXACSJYEM-AIZNXBIQSA-N	1	3	405.542	4.203	20	30		HIEDHO
COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)ccc1OCc1cccc(C#N)c1	ZINC000513138130	921578517	/nfs/dbraw/zinc/57/85/17/921578517.db2.gz	DHHCRYXACSJYEM-AIZNXBIQSA-N	1	3	405.542	4.203	20	30		HIEDHO
CCC[NH+]1CCN(c2ccccc2CNCc2cccc(O[C@@H](C#N)CC)c2)CC1	ZINC000236803388	853924628	/nfs/dbraw/zinc/92/46/28/853924628.db2.gz	SUUITWGESZVACD-HSZRJFAPSA-N	1	3	406.574	4.189	20	30		HIEDHO
N#Cc1ccc(CNCc2ccc(OCC[NH+]3CCCC3)cc2)c(C(F)(F)F)c1	ZINC000521120963	929007486	/nfs/dbraw/zinc/00/74/86/929007486.db2.gz	SPFYHYSOBJDHMC-UHFFFAOYSA-N	1	3	403.448	4.341	20	30		HIEDHO
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000560918170	944369325	/nfs/dbraw/zinc/36/93/25/944369325.db2.gz	SHUUYKUYOUXWJS-XMMPIXPASA-N	1	3	412.622	4.113	20	30		HIEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1	ZINC000237610205	854061646	/nfs/dbraw/zinc/06/16/46/854061646.db2.gz	OLXZBTXJRGHIJY-OYRHEFFESA-N	1	3	407.558	4.116	20	30		HIEDHO
CCN1CCN(Cc2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)CC1	ZINC000481919450	897304041	/nfs/dbraw/zinc/30/40/41/897304041.db2.gz	RYBMEEZEIMTXHB-AREMUKBSSA-N	1	3	402.586	4.253	20	30		HIEDHO
CCN1CCN(Cc2ccccc2C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1	ZINC000481922321	897306510	/nfs/dbraw/zinc/30/65/10/897306510.db2.gz	YAHOCWILAYFJJP-SANMLTNESA-N	1	3	402.586	4.253	20	30		HIEDHO
COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391219	931041944	/nfs/dbraw/zinc/04/19/44/931041944.db2.gz	ZQYSUFSIOOSOAA-NZQKXSOJSA-N	1	3	407.558	4.378	20	30		HIEDHO
COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N	ZINC000531391219	931041950	/nfs/dbraw/zinc/04/19/50/931041950.db2.gz	ZQYSUFSIOOSOAA-NZQKXSOJSA-N	1	3	407.558	4.378	20	30		HIEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1	ZINC000237404733	854024293	/nfs/dbraw/zinc/02/42/93/854024293.db2.gz	OLXZBTXJRGHIJY-NHCUHLMSSA-N	1	3	407.558	4.116	20	30		HIEDHO
N#CCCn1cc(C[NH2+]C[C@H]2CCN(CCc3ccccc3)C2)c(-c2ccccc2)n1	ZINC000237831310	854105595	/nfs/dbraw/zinc/10/55/95/854105595.db2.gz	CVBHDHHVMYEUTL-HSZRJFAPSA-N	1	3	413.569	4.118	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195705	893357998	/nfs/dbraw/zinc/35/79/98/893357998.db2.gz	KTAGNZXYRCONGK-WMZHIEFXSA-N	1	3	405.571	4.193	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195705	893358014	/nfs/dbraw/zinc/35/80/14/893358014.db2.gz	KTAGNZXYRCONGK-WMZHIEFXSA-N	1	3	405.571	4.193	20	30		HIEDHO
C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592851	904123306	/nfs/dbraw/zinc/12/33/06/904123306.db2.gz	SQZBCXFQSFJFNX-FQEVSTJZSA-N	1	3	405.590	4.435	20	30		HIEDHO
C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1	ZINC000490592851	904123309	/nfs/dbraw/zinc/12/33/09/904123309.db2.gz	SQZBCXFQSFJFNX-FQEVSTJZSA-N	1	3	405.590	4.435	20	30		HIEDHO
Cn1cc(C[N@@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000512245589	921003186	/nfs/dbraw/zinc/00/31/86/921003186.db2.gz	QPFIRSUZCAIXMR-AREMUKBSSA-N	1	3	411.553	4.057	20	30		HIEDHO
Cn1cc(C[N@H+]2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000512245589	921003197	/nfs/dbraw/zinc/00/31/97/921003197.db2.gz	QPFIRSUZCAIXMR-AREMUKBSSA-N	1	3	411.553	4.057	20	30		HIEDHO
COc1cc(CN2CCC(CC[NH+](C)C)CC2)ccc1OCc1cccc(C#N)c1	ZINC000532486943	931457352	/nfs/dbraw/zinc/45/73/52/931457352.db2.gz	XKVSCWRATDBVGB-UHFFFAOYSA-N	1	3	407.558	4.310	20	30		HIEDHO
N#Cc1ccc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)s1	ZINC000538345717	938599252	/nfs/dbraw/zinc/59/92/52/938599252.db2.gz	UJUPATXPHQIIRR-UHFFFAOYSA-N	1	3	422.520	4.331	20	30		HIEDHO
N#Cc1ccc(CN2CCC(Nc3ccc(CC[NH+]4CCSCC4)cc3)CC2)cc1	ZINC000541901476	939650036	/nfs/dbraw/zinc/65/00/36/939650036.db2.gz	AABOWEKEPPEDSP-UHFFFAOYSA-N	1	3	420.626	4.226	20	30		HIEDHO
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1	ZINC000437085352	862278337	/nfs/dbraw/zinc/27/83/37/862278337.db2.gz	ZUCZLRMJPHGCDM-QUFPEAKPSA-N	1	3	416.569	4.143	20	30		HIEDHO
C[C@@]1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC[N@@H+]1Cc1ccccc1	ZINC000433321705	859638807	/nfs/dbraw/zinc/63/88/07/859638807.db2.gz	OGOIRBVHWABBFZ-VWLOTQADSA-N	1	3	414.557	4.003	20	30		HIEDHO
C[C@@]1(CNCc2cn(CCC#N)nc2-c2ccncc2)CCC[N@H+]1Cc1ccccc1	ZINC000433321705	859638819	/nfs/dbraw/zinc/63/88/19/859638819.db2.gz	OGOIRBVHWABBFZ-VWLOTQADSA-N	1	3	414.557	4.003	20	30		HIEDHO
N#C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295195	876356319	/nfs/dbraw/zinc/35/63/19/876356319.db2.gz	YKHVYOAXQDPOKH-UYAOXDASSA-N	1	3	408.512	4.280	20	30		HIEDHO
N#C[C@H]1CCC[C@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295193	876356946	/nfs/dbraw/zinc/35/69/46/876356946.db2.gz	YKHVYOAXQDPOKH-ICSRJNTNSA-N	1	3	408.512	4.280	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000479930370	895279082	/nfs/dbraw/zinc/27/90/82/895279082.db2.gz	VYXAHSNXLAOGQN-IBGZPJMESA-N	1	3	405.571	4.022	20	30		HIEDHO
Cn1cc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000479930370	895279104	/nfs/dbraw/zinc/27/91/04/895279104.db2.gz	VYXAHSNXLAOGQN-IBGZPJMESA-N	1	3	405.571	4.022	20	30		HIEDHO
COc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391218	931042122	/nfs/dbraw/zinc/04/21/22/931042122.db2.gz	ZQYSUFSIOOSOAA-NFBKMPQASA-N	1	3	407.558	4.378	20	30		HIEDHO
COc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N	ZINC000531391218	931042128	/nfs/dbraw/zinc/04/21/28/931042128.db2.gz	ZQYSUFSIOOSOAA-NFBKMPQASA-N	1	3	407.558	4.378	20	30		HIEDHO
C=C(C)C[NH+]1CCC(NC(=O)N(CCC)[C@H]2CCCN(Cc3ccccc3)C2)CC1	ZINC000560918167	944369224	/nfs/dbraw/zinc/36/92/24/944369224.db2.gz	SHUUYKUYOUXWJS-DEOSSOPVSA-N	1	3	412.622	4.113	20	30		HIEDHO
N#Cc1csc(C[NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000237682352	854075122	/nfs/dbraw/zinc/07/51/22/854075122.db2.gz	XAHKLNUJJAHUAR-UHFFFAOYSA-N	1	3	422.520	4.331	20	30		HIEDHO
Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195707	893356539	/nfs/dbraw/zinc/35/65/39/893356539.db2.gz	KTAGNZXYRCONGK-XXBNENTESA-N	1	3	405.571	4.193	20	30		HIEDHO
Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1	ZINC000478195707	893356558	/nfs/dbraw/zinc/35/65/58/893356558.db2.gz	KTAGNZXYRCONGK-XXBNENTESA-N	1	3	405.571	4.193	20	30		HIEDHO
CC[NH+](CC)CCOc1ccccc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000540972947	939422387	/nfs/dbraw/zinc/42/23/87/939422387.db2.gz	PAUXFSBNYPNUDC-UHFFFAOYSA-N	1	3	406.574	4.355	20	30		HIEDHO
C[C@@H]1CN(CCCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1	ZINC000237610167	854061452	/nfs/dbraw/zinc/06/14/52/854061452.db2.gz	SGFRWXUISJUUEF-OYRHEFFESA-N	1	3	407.558	4.116	20	30		HIEDHO
C[N@@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1	ZINC000433320199	859637560	/nfs/dbraw/zinc/63/75/60/859637560.db2.gz	TXYJNJGLLKNYMG-CVDCTZTESA-N	1	3	420.586	4.093	20	30		HIEDHO
C[N@H+]1CCC[C@@H](CNCc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1	ZINC000433320199	859637566	/nfs/dbraw/zinc/63/75/66/859637566.db2.gz	TXYJNJGLLKNYMG-CVDCTZTESA-N	1	3	420.586	4.093	20	30		HIEDHO
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000481180729	896521605	/nfs/dbraw/zinc/52/16/05/896521605.db2.gz	XRLFYCCBHMUMOI-AUSIDOKSSA-N	1	3	424.976	4.087	20	30		HIEDHO
N#Cc1cnn2cc(CNCc3ccccc3-c3ccc(C[NH+]4CCCC4)cc3)cnc12	ZINC000573985016	948340939	/nfs/dbraw/zinc/34/09/39/948340939.db2.gz	MAQSMBSGSWCRGN-UHFFFAOYSA-N	1	3	422.536	4.154	20	30		HIEDHO
N#C[C@H]1CCC[C@@H]([NH2+]CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1	ZINC000463295192	876356470	/nfs/dbraw/zinc/35/64/70/876356470.db2.gz	YKHVYOAXQDPOKH-AZUAARDMSA-N	1	3	408.512	4.280	20	30		HIEDHO
C=CCC[C@@H](NCC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(C(F)(F)F)cc1	ZINC000561191333	944508754	/nfs/dbraw/zinc/50/87/54/944508754.db2.gz	AIODJOYOLFRJMF-HXUWFJFHSA-N	1	3	409.496	4.045	20	30		HIEDHO
C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1	ZINC000481180730	896521800	/nfs/dbraw/zinc/52/18/00/896521800.db2.gz	XRLFYCCBHMUMOI-CVDCTZTESA-N	1	3	424.976	4.087	20	30		HIEDHO
CC[N@@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662905	930791150	/nfs/dbraw/zinc/79/11/50/930791150.db2.gz	OADMEKQMFIWTMU-DLBZAZTESA-N	1	3	402.608	4.022	20	30		HIEDHO
CC[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C	ZINC000530662905	930791154	/nfs/dbraw/zinc/79/11/54/930791154.db2.gz	OADMEKQMFIWTMU-DLBZAZTESA-N	1	3	402.608	4.022	20	30		HIEDHO
N#Cc1ccc(C[NH+]2CCC(Nc3cccc(CN4CCSCC4)c3)CC2)cc1	ZINC000540787409	939372524	/nfs/dbraw/zinc/37/25/24/939372524.db2.gz	MAPQLKMXNIWFOG-UHFFFAOYSA-N	1	3	406.599	4.184	20	30		HIEDHO
N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1	ZINC000437085347	862279252	/nfs/dbraw/zinc/27/92/52/862279252.db2.gz	ZUCZLRMJPHGCDM-MQEXIPMMSA-N	1	3	416.569	4.143	20	30		HIEDHO
[NH2+]=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1	ZINC000303368832	854895258	/nfs/dbraw/zinc/89/52/58/854895258.db2.gz	JAACYHFKOSKGCA-UHFFFAOYSA-N	1	3	419.495	4.034	20	30		HIEDHO
OC1CCN(Cc2ccc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)cc2)CC1	ZINC000304742602	855357629	/nfs/dbraw/zinc/35/76/29/855357629.db2.gz	CRDUVUMFCXFLII-UHFFFAOYSA-N	1	3	406.574	4.097	20	30		HIEDHO
Cc1ccccc1C[NH+]1CCC(NC(=O)CN[C@H](CCCC#N)c2ccccc2)CC1	ZINC000433016319	859479652	/nfs/dbraw/zinc/47/96/52/859479652.db2.gz	PMLGHONMWCMCCJ-RUZDIDTESA-N	1	3	418.585	4.100	20	30		HIEDHO
Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1C	ZINC000481174514	896508759	/nfs/dbraw/zinc/50/87/59/896508759.db2.gz	HSIYBPWJQMOZHS-URXFXBBRSA-N	1	3	418.585	4.050	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC	ZINC000539818818	938942232	/nfs/dbraw/zinc/94/22/32/938942232.db2.gz	NVWHFSVGTSTAMM-RDJZCZTQSA-N	1	3	411.384	4.327	20	30		HIEDHO
C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CCN(CC)[C@@H](C)C2)cc1OC	ZINC000539818818	938942238	/nfs/dbraw/zinc/94/22/38/938942238.db2.gz	NVWHFSVGTSTAMM-RDJZCZTQSA-N	1	3	411.384	4.327	20	30		HIEDHO
Cc1c(C[NH+]2CCSCC2)cccc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000543759165	940177141	/nfs/dbraw/zinc/17/71/41/940177141.db2.gz	LNIAWCQYZUODSP-UHFFFAOYSA-N	1	3	420.626	4.492	20	30		HIEDHO
Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)c1	ZINC000481169833	896504987	/nfs/dbraw/zinc/50/49/87/896504987.db2.gz	GHUMOXXCFPELLU-WIOPSUGQSA-N	1	3	418.585	4.050	20	30		HIEDHO
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1	ZINC000541599489	939563816	/nfs/dbraw/zinc/56/38/16/939563816.db2.gz	GWDGRHFWDVLBPZ-IAGOWNOFSA-N	1	3	414.619	4.070	20	30		HIEDHO
C[C@@H](NCCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000541599489	939563820	/nfs/dbraw/zinc/56/38/20/939563820.db2.gz	GWDGRHFWDVLBPZ-IAGOWNOFSA-N	1	3	414.619	4.070	20	30		HIEDHO
Cc1cc(C[NH+]2CCSCC2)ccc1NC1CCN(Cc2ccc(C#N)cc2)CC1	ZINC000541901510	939650210	/nfs/dbraw/zinc/65/02/10/939650210.db2.gz	KWLMJFOBORFZIC-UHFFFAOYSA-N	1	3	420.626	4.492	20	30		HIEDHO
CN1CCN(CC2(C)CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)CC1	ZINC000544487734	940453760	/nfs/dbraw/zinc/45/37/60/940453760.db2.gz	OWAQHMWNYQOYLZ-UHFFFAOYSA-N	1	3	402.586	4.075	20	30		HIEDHO
N#Cc1c2c(sc1NC(=O)CCN1CCC(C[NH+]3CCCCCC3)CC1)CCC2	ZINC000110182617	853070754	/nfs/dbraw/zinc/07/07/54/853070754.db2.gz	JHPVGQMDRBGEGF-UHFFFAOYSA-N	1	3	414.619	4.025	20	30		HIEDHO
C[C@H]1CCC[N@H+](Cc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983810	895337843	/nfs/dbraw/zinc/33/78/43/895337843.db2.gz	PFBVEFMWCBJKEP-FQEVSTJZSA-N	1	3	413.569	4.480	20	30		HIEDHO
C[C@H]1CCC[N@@H+](Cc2ccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)cc2)C1	ZINC000479983810	895337853	/nfs/dbraw/zinc/33/78/53/895337853.db2.gz	PFBVEFMWCBJKEP-FQEVSTJZSA-N	1	3	413.569	4.480	20	30		HIEDHO
N#Cc1cccc(COc2cccc(CN3CCC(OCC[NH+]4CCCC4)CC3)c2)c1	ZINC000539825655	938947128	/nfs/dbraw/zinc/94/71/28/938947128.db2.gz	WKNKXKLDRUEYJT-UHFFFAOYSA-N	1	3	419.569	4.214	20	30		HIEDHO
Cc1ccc(CN2CCSCC2)cc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000542831148	939861690	/nfs/dbraw/zinc/86/16/90/939861690.db2.gz	GYOINJYQIGDIJQ-UHFFFAOYSA-N	1	3	420.626	4.492	20	30		HIEDHO
C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)c(F)c1	ZINC000559891605	944077802	/nfs/dbraw/zinc/07/78/02/944077802.db2.gz	DGSWRXPTJVXAQG-CVDCTZTESA-N	1	3	407.533	4.277	20	30		HIEDHO