smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1O	ZINC000863485051	1296302709	/nfs/dbraw/zinc/30/27/09/1296302709.db2.gz	SIOWBBDIRSHBSO-SKDRFNHKSA-N	2	2	329.238	2.393	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1	ZINC001329433114	1334649371	/nfs/dbraw/zinc/64/93/71/1334649371.db2.gz	LMZCSZVKIVAOKB-FQEVSTJZSA-N	3	2	346.494	2.153	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2F)CC1	ZINC001329433114	1334649375	/nfs/dbraw/zinc/64/93/75/1334649375.db2.gz	LMZCSZVKIVAOKB-FQEVSTJZSA-N	3	2	346.494	2.153	10	10		EECELP
c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2	ZINC000089787902	462719161	/nfs/dbraw/zinc/71/91/61/462719161.db2.gz	BMVDGRQLAAICGT-QGZVFWFLSA-N	2	2	326.444	2.387	10	10		EECELP
C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O	ZINC000757658114	577861993	/nfs/dbraw/zinc/86/19/93/577861993.db2.gz	VAIHZKNQPNODPL-SWLSCSKDSA-N	2	2	346.406	2.107	10	10		EECELP
COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C	ZINC001317597058	1332317048	/nfs/dbraw/zinc/31/70/48/1332317048.db2.gz	AEOWASCAXFMVLL-HZPDHXFCSA-N	2	2	342.443	2.078	10	10		EECELP
COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C	ZINC001317597058	1332317052	/nfs/dbraw/zinc/31/70/52/1332317052.db2.gz	AEOWASCAXFMVLL-HZPDHXFCSA-N	2	2	342.443	2.078	10	10		EECELP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1	ZINC000191330477	529151228	/nfs/dbraw/zinc/15/12/28/529151228.db2.gz	BOEXHKUTQPSWKJ-CYBMUJFWSA-N	2	2	341.858	2.397	10	10		EECELP
CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1	ZINC000191330477	529151229	/nfs/dbraw/zinc/15/12/29/529151229.db2.gz	BOEXHKUTQPSWKJ-CYBMUJFWSA-N	2	2	341.858	2.397	10	10		EECELP
Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000903980087	1242841747	/nfs/dbraw/zinc/84/17/47/1242841747.db2.gz	GXFZKYJVKBLHDJ-CALCHBBNSA-N	2	2	335.879	2.446	10	10		EECELP
Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000903980087	1242841761	/nfs/dbraw/zinc/84/17/61/1242841761.db2.gz	GXFZKYJVKBLHDJ-CALCHBBNSA-N	2	2	335.879	2.446	10	10		EECELP
Oc1c(Br)cccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F	ZINC000903955262	1242700255	/nfs/dbraw/zinc/70/02/55/1242700255.db2.gz	OAOFZKSWNJEEHE-JTQLQIEISA-N	2	2	335.192	2.489	10	10		EECELP
COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1	ZINC000850487826	1277244461	/nfs/dbraw/zinc/24/44/61/1277244461.db2.gz	PKLQIWFXIOLYNA-PKOBYXMFSA-N	2	2	345.487	2.117	10	10		EECELP
COc1c(O)c(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-]	ZINC000903959263	1331618093	/nfs/dbraw/zinc/61/80/93/1331618093.db2.gz	DDOKFPQUNITBIU-QGZVFWFLSA-N	2	2	335.404	2.275	10	10		EECELP
Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1	ZINC000757657809	577862029	/nfs/dbraw/zinc/86/20/29/577862029.db2.gz	QZIGTHWNGOGTNR-GOEBONIOSA-N	2	2	342.443	2.276	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1	ZINC000092079767	237034927	/nfs/dbraw/zinc/03/49/27/237034927.db2.gz	TWMXRKBAWQYGML-OAHLLOKOSA-N	2	2	334.460	2.476	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1	ZINC000092079767	237034936	/nfs/dbraw/zinc/03/49/36/237034936.db2.gz	TWMXRKBAWQYGML-OAHLLOKOSA-N	2	2	334.460	2.476	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1C	ZINC001485177268	1191677774	/nfs/dbraw/zinc/67/77/74/1191677774.db2.gz	NUPPZCJXBWAWSA-HZPDHXFCSA-N	2	2	344.459	2.273	10	10		EECELP
C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O	ZINC000925843864	1206159361	/nfs/dbraw/zinc/15/93/61/1206159361.db2.gz	HBVUGPXJOSSHSV-CYBMUJFWSA-N	2	2	327.419	2.397	10	10		EECELP
Oc1cc2c(cc1C[N@@H+]1CC[C@H](CNc3cccc[nH+]3)C1)OCO2	ZINC000092812866	534449198	/nfs/dbraw/zinc/44/91/98/534449198.db2.gz	NKZVMSHQENMDIK-CYBMUJFWSA-N	2	2	327.384	2.450	10	10		EECELP
Oc1cc2c(cc1C[N@H+]1CC[C@H](CNc3cccc[nH+]3)C1)OCO2	ZINC000092812866	534449206	/nfs/dbraw/zinc/44/92/06/534449206.db2.gz	NKZVMSHQENMDIK-CYBMUJFWSA-N	2	2	327.384	2.450	10	10		EECELP
C/C=C\C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC	ZINC000763360183	577719810	/nfs/dbraw/zinc/71/98/10/577719810.db2.gz	BASAZHWOIBCPFS-GJEJWFRCSA-N	2	2	345.487	2.426	10	10		EECELP
c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(N3CCOCC3)cc1)CCC2	ZINC000089787901	462719405	/nfs/dbraw/zinc/71/94/05/462719405.db2.gz	BMVDGRQLAAICGT-KRWDZBQOSA-N	2	2	326.444	2.387	10	10		EECELP
COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1	ZINC000754028766	577798884	/nfs/dbraw/zinc/79/88/84/577798884.db2.gz	AQDFURORQNKYSH-GOSISDBHSA-N	2	2	347.503	2.053	10	10		EECELP
COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCCC3(C)C)CC2)cc1	ZINC000754028766	577798885	/nfs/dbraw/zinc/79/88/85/577798885.db2.gz	AQDFURORQNKYSH-GOSISDBHSA-N	2	2	347.503	2.053	10	10		EECELP
C[C@@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1O	ZINC000863544734	690718036	/nfs/dbraw/zinc/71/80/36/690718036.db2.gz	ABNZTUBSDZESKJ-SECBINFHSA-N	2	2	335.217	2.310	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C	ZINC001480547367	1100380668	/nfs/dbraw/zinc/38/06/68/1100380668.db2.gz	ZRUGCATWCDRQQC-HZPDHXFCSA-N	2	2	344.459	2.446	10	10		EECELP
CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(O)c1	ZINC000761226412	577679804	/nfs/dbraw/zinc/67/98/04/577679804.db2.gz	PTXTXCPFILIZRS-UHFFFAOYSA-N	2	2	328.416	2.212	10	10		EECELP
C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O	ZINC000757655812	577861969	/nfs/dbraw/zinc/86/19/69/577861969.db2.gz	LBOCACOYLKVTTQ-WFASDCNBSA-N	2	2	346.406	2.107	10	10		EECELP
COC[C@@H](C)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000187625590	678721853	/nfs/dbraw/zinc/72/18/53/678721853.db2.gz	JNLUQRDCFGBLFN-KRWDZBQOSA-N	2	2	335.492	2.079	10	10		EECELP
C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O	ZINC000863544023	1296328444	/nfs/dbraw/zinc/32/84/44/1296328444.db2.gz	ITCOFYMMKWUYOM-SECBINFHSA-N	2	2	335.217	2.180	10	10		EECELP
CCC1([NH3+])CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1	ZINC001350647556	1337731437	/nfs/dbraw/zinc/73/14/37/1337731437.db2.gz	RZNICTJRIPJHEM-UHFFFAOYSA-N	3	2	334.483	2.281	10	10		EECELP
c1cn(-c2ccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)cn2)c[nH+]1	ZINC000048364065	462901579	/nfs/dbraw/zinc/90/15/79/462901579.db2.gz	KLUFQVXEOZWJKB-UHFFFAOYSA-N	2	2	349.438	2.394	10	10		EECELP
C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1O	ZINC000294480559	464512991	/nfs/dbraw/zinc/51/29/91/464512991.db2.gz	AMADXLYUPPNCRS-GFCCVEGCSA-N	2	2	329.847	2.300	10	10		EECELP
C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O	ZINC000757655802	577861895	/nfs/dbraw/zinc/86/18/95/577861895.db2.gz	LBOCACOYLKVTTQ-IUODEOHRSA-N	2	2	346.406	2.107	10	10		EECELP
OC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)CC1	ZINC000925715001	1206145636	/nfs/dbraw/zinc/14/56/36/1206145636.db2.gz	BBPFOXPXIANDMW-IBGZPJMESA-N	2	2	329.488	2.412	10	10		EECELP
Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1	ZINC000840889378	682705575	/nfs/dbraw/zinc/70/55/75/682705575.db2.gz	FZLPJJXXLKXDPB-CYBMUJFWSA-N	2	2	339.867	2.031	10	10		EECELP
Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)c1	ZINC000840889378	682705580	/nfs/dbraw/zinc/70/55/80/682705580.db2.gz	FZLPJJXXLKXDPB-CYBMUJFWSA-N	2	2	339.867	2.031	10	10		EECELP
COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043961	1315827267	/nfs/dbraw/zinc/82/72/67/1315827267.db2.gz	DUIBYEOZHBQNBB-OCCSQVGLSA-N	2	2	335.404	2.273	10	10		EECELP
COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043961	1315827270	/nfs/dbraw/zinc/82/72/70/1315827270.db2.gz	DUIBYEOZHBQNBB-OCCSQVGLSA-N	2	2	335.404	2.273	10	10		EECELP
O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@@H+]1CCc2ccccc2C1	ZINC000054174625	214222145	/nfs/dbraw/zinc/22/21/45/214222145.db2.gz	OTTJRWDOEIMTHP-FQEVSTJZSA-N	2	2	338.451	2.130	10	10		EECELP
O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C[N@H+]1CCc2ccccc2C1	ZINC000054174625	214222148	/nfs/dbraw/zinc/22/21/48/214222148.db2.gz	OTTJRWDOEIMTHP-FQEVSTJZSA-N	2	2	338.451	2.130	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C	ZINC000177056967	464918422	/nfs/dbraw/zinc/91/84/22/464918422.db2.gz	PZOQSSPRSCGHFS-VQIMIIECSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C	ZINC000177056967	464918430	/nfs/dbraw/zinc/91/84/30/464918430.db2.gz	PZOQSSPRSCGHFS-VQIMIIECSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056967	464918437	/nfs/dbraw/zinc/91/84/37/464918437.db2.gz	PZOQSSPRSCGHFS-VQIMIIECSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056967	464918441	/nfs/dbraw/zinc/91/84/41/464918441.db2.gz	PZOQSSPRSCGHFS-VQIMIIECSA-N	2	2	346.519	2.126	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1C	ZINC001485177266	1191677648	/nfs/dbraw/zinc/67/76/48/1191677648.db2.gz	NUPPZCJXBWAWSA-CVEARBPZSA-N	2	2	344.459	2.273	10	10		EECELP
C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1O	ZINC000863542495	1296327003	/nfs/dbraw/zinc/32/70/03/1296327003.db2.gz	WBBQVWYVGLVJGC-SECBINFHSA-N	2	2	347.228	2.452	10	10		EECELP
C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817915921	785068979	/nfs/dbraw/zinc/06/89/79/785068979.db2.gz	BIJWAKXZHUKSFG-UWJYYQICSA-N	3	2	342.531	2.306	10	10		EECELP
CCC1([NH+]2CCOCC2)CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000862536665	1295870267	/nfs/dbraw/zinc/87/02/67/1295870267.db2.gz	RFJAHGLPLYUDGX-UHFFFAOYSA-N	2	2	334.460	2.478	10	10		EECELP
c1snnc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000776252753	577455707	/nfs/dbraw/zinc/45/57/07/577455707.db2.gz	XIPJHMHMTYVKPP-UHFFFAOYSA-N	2	2	343.500	2.360	10	10		EECELP
C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O	ZINC000757655806	577861871	/nfs/dbraw/zinc/86/18/71/577861871.db2.gz	LBOCACOYLKVTTQ-SWLSCSKDSA-N	2	2	346.406	2.107	10	10		EECELP
Cc1nc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc[nH+]1	ZINC000758979366	577634742	/nfs/dbraw/zinc/63/47/42/577634742.db2.gz	AOOIQTJOWPNZGO-UHFFFAOYSA-N	2	2	335.411	2.361	10	10		EECELP
Cc1cc(C)n2c(C[NH2+]C[C@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1	ZINC000841045679	1315461883	/nfs/dbraw/zinc/46/18/83/1315461883.db2.gz	OCENDMVFPBREEA-SFHVURJKSA-N	2	2	338.459	2.202	10	10		EECELP
CCOC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000753572162	577790159	/nfs/dbraw/zinc/79/01/59/577790159.db2.gz	RIPCQZCBKRBKDO-LJQANCHMSA-N	2	2	345.487	2.260	10	10		EECELP
C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000756098103	577838389	/nfs/dbraw/zinc/83/83/89/577838389.db2.gz	FHRKEVKKWUXWPM-LUXYFRNMSA-N	2	2	335.467	2.479	10	10		EECELP
C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000756098103	577838390	/nfs/dbraw/zinc/83/83/90/577838390.db2.gz	FHRKEVKKWUXWPM-LUXYFRNMSA-N	2	2	335.467	2.479	10	10		EECELP
C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CN1CC[NH+](C)CC1	ZINC000293609128	464414719	/nfs/dbraw/zinc/41/47/19/464414719.db2.gz	LRTPSLOMVYKTFU-GFCCVEGCSA-N	2	2	329.847	2.158	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C	ZINC000775717899	577443625	/nfs/dbraw/zinc/44/36/25/577443625.db2.gz	UGWHBBMBZTUQDE-YLJYHZDGSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C	ZINC000775717899	577443626	/nfs/dbraw/zinc/44/36/26/577443626.db2.gz	UGWHBBMBZTUQDE-YLJYHZDGSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717899	577443627	/nfs/dbraw/zinc/44/36/27/577443627.db2.gz	UGWHBBMBZTUQDE-YLJYHZDGSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717899	577443628	/nfs/dbraw/zinc/44/36/28/577443628.db2.gz	UGWHBBMBZTUQDE-YLJYHZDGSA-N	3	2	330.520	2.353	10	10		EECELP
CN(C)c1ccc(/C=C/C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000827699462	1248654957	/nfs/dbraw/zinc/65/49/57/1248654957.db2.gz	HQMQOSRRWPVZDF-WUUFJKRQSA-N	2	2	329.488	2.297	10	10		EECELP
CN(C)c1ccc(/C=C/C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000827699462	1248654970	/nfs/dbraw/zinc/65/49/70/1248654970.db2.gz	HQMQOSRRWPVZDF-WUUFJKRQSA-N	2	2	329.488	2.297	10	10		EECELP
COc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000121224594	463101318	/nfs/dbraw/zinc/10/13/18/463101318.db2.gz	BJYBPAYDIVURGE-UHFFFAOYSA-N	2	2	344.459	2.194	10	10		EECELP
COc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000121224594	463101325	/nfs/dbraw/zinc/10/13/25/463101325.db2.gz	BJYBPAYDIVURGE-UHFFFAOYSA-N	2	2	344.459	2.194	10	10		EECELP
Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1	ZINC000757656937	577862005	/nfs/dbraw/zinc/86/20/05/577862005.db2.gz	PPMANOJFNXDIDZ-HOCLYGCPSA-N	2	2	342.443	2.276	10	10		EECELP
COC[C@H](C)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1	ZINC000187625605	678725153	/nfs/dbraw/zinc/72/51/53/678725153.db2.gz	JNLUQRDCFGBLFN-QGZVFWFLSA-N	2	2	335.492	2.079	10	10		EECELP
COc1c(O)c(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1[N+](=O)[O-]	ZINC000845996517	790028952	/nfs/dbraw/zinc/02/89/52/790028952.db2.gz	PWFVPEKSDVQPBG-UHFFFAOYSA-N	2	2	325.409	2.377	10	10		EECELP
COc1c(O)c(C[NH2+]CCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-]	ZINC000845996517	790028957	/nfs/dbraw/zinc/02/89/57/790028957.db2.gz	PWFVPEKSDVQPBG-UHFFFAOYSA-N	2	2	325.409	2.377	10	10		EECELP
Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1	ZINC000328634053	258026297	/nfs/dbraw/zinc/02/62/97/258026297.db2.gz	MLMVNKCPPSAMOK-QFBILLFUSA-N	2	2	326.444	2.422	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1	ZINC000925561105	1206128237	/nfs/dbraw/zinc/12/82/37/1206128237.db2.gz	YQOKRZOIMQYQFC-OALUTQOASA-N	3	2	346.494	2.327	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1O	ZINC000863485049	1296301916	/nfs/dbraw/zinc/30/19/16/1296301916.db2.gz	SIOWBBDIRSHBSO-CABZTGNLSA-N	2	2	329.238	2.393	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1O	ZINC000841090341	1315473142	/nfs/dbraw/zinc/47/31/42/1315473142.db2.gz	OEFIBDWAMBWVGM-LBPRGKRZSA-N	2	2	329.238	2.395	10	10		EECELP
CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026697	465278016	/nfs/dbraw/zinc/27/80/16/465278016.db2.gz	BEBMEAXMDYAEFZ-LPHOPBHVSA-N	2	2	346.519	2.031	10	10		EECELP
CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026697	465278021	/nfs/dbraw/zinc/27/80/21/465278021.db2.gz	BEBMEAXMDYAEFZ-LPHOPBHVSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026697	465278027	/nfs/dbraw/zinc/27/80/27/465278027.db2.gz	BEBMEAXMDYAEFZ-LPHOPBHVSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026697	465278030	/nfs/dbraw/zinc/27/80/30/465278030.db2.gz	BEBMEAXMDYAEFZ-LPHOPBHVSA-N	2	2	346.519	2.031	10	10		EECELP
Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12	ZINC000097135214	463332193	/nfs/dbraw/zinc/33/21/93/463332193.db2.gz	VUBWARKOHLZAJV-UHFFFAOYSA-N	2	2	343.383	2.231	10	10		EECELP
Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(O)cc12	ZINC000097135214	463332197	/nfs/dbraw/zinc/33/21/97/463332197.db2.gz	VUBWARKOHLZAJV-UHFFFAOYSA-N	2	2	343.383	2.231	10	10		EECELP
COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1	ZINC000163364641	463582771	/nfs/dbraw/zinc/58/27/71/463582771.db2.gz	OYHRWNAEKLBPQL-LJQANCHMSA-N	2	2	347.503	2.364	10	10		EECELP
COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1	ZINC000163364641	463582776	/nfs/dbraw/zinc/58/27/76/463582776.db2.gz	OYHRWNAEKLBPQL-LJQANCHMSA-N	2	2	347.503	2.364	10	10		EECELP
CC[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O	ZINC000775551010	577439311	/nfs/dbraw/zinc/43/93/11/577439311.db2.gz	GAPHALYEOUIGMQ-HOTGVXAUSA-N	2	2	342.443	2.358	10	10		EECELP
COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[N@H+](C)C3)CC2)cc1	ZINC000726707960	576290163	/nfs/dbraw/zinc/29/01/63/576290163.db2.gz	IHOWZNZDHFLJAS-INIZCTEOSA-N	2	2	346.475	2.057	10	10		EECELP
COc1ccc([NH+]2CCC(NC(=O)N[C@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000726707960	576290167	/nfs/dbraw/zinc/29/01/67/576290167.db2.gz	IHOWZNZDHFLJAS-INIZCTEOSA-N	2	2	346.475	2.057	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1C	ZINC001485177267	1191677589	/nfs/dbraw/zinc/67/75/89/1191677589.db2.gz	NUPPZCJXBWAWSA-HOTGVXAUSA-N	2	2	344.459	2.273	10	10		EECELP
CC[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1	ZINC000850013620	1276991963	/nfs/dbraw/zinc/99/19/63/1276991963.db2.gz	KIIWNEFZIAZOSD-HKUYNNGSSA-N	2	2	347.503	2.364	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)CC1	ZINC000843129107	1315849772	/nfs/dbraw/zinc/84/97/72/1315849772.db2.gz	REMGJTQYYNNLAT-LJQANCHMSA-N	3	2	328.504	2.203	10	10		EECELP
COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001668287561	1355915773	/nfs/dbraw/zinc/91/57/73/1355915773.db2.gz	AFVUIEFNVNSYCU-AWEZNQCLSA-N	2	2	344.459	2.262	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)cc2F)CC1	ZINC000756117885	577838723	/nfs/dbraw/zinc/83/87/23/577838723.db2.gz	BGAGEBWUEUVPNY-QAPCUYQASA-N	3	2	334.483	2.007	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)cc2F)CC1	ZINC000756117885	577838724	/nfs/dbraw/zinc/83/87/24/577838724.db2.gz	BGAGEBWUEUVPNY-QAPCUYQASA-N	3	2	334.483	2.007	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@H](C)C(C)(C)CO)CC2)cc1	ZINC000924578869	681974543	/nfs/dbraw/zinc/97/45/43/681974543.db2.gz	CYDLWCZKPCDBJK-QGZVFWFLSA-N	2	2	349.519	2.204	10	10		EECELP
CN(C)c1ccc(/C=C\C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000827699463	1248656410	/nfs/dbraw/zinc/65/64/10/1248656410.db2.gz	HQMQOSRRWPVZDF-XQQSMPNESA-N	2	2	329.488	2.297	10	10		EECELP
CN(C)c1ccc(/C=C\C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000827699463	1248656424	/nfs/dbraw/zinc/65/64/24/1248656424.db2.gz	HQMQOSRRWPVZDF-XQQSMPNESA-N	2	2	329.488	2.297	10	10		EECELP
C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1	ZINC000817917802	785068814	/nfs/dbraw/zinc/06/88/14/785068814.db2.gz	SQTBKQJBYXZYHP-DYESRHJHSA-N	3	2	342.531	2.449	10	10		EECELP
COc1c(O)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-]	ZINC000278294548	463960980	/nfs/dbraw/zinc/96/09/80/463960980.db2.gz	VHHBTPYVVWWGDN-UHFFFAOYSA-N	2	2	332.360	2.412	10	10		EECELP
CC[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O	ZINC000775551012	577439324	/nfs/dbraw/zinc/43/93/24/577439324.db2.gz	GAPHALYEOUIGMQ-JKSUJKDBSA-N	2	2	342.443	2.358	10	10		EECELP
Oc1c(Br)cccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F	ZINC000903955263	1242700937	/nfs/dbraw/zinc/70/09/37/1242700937.db2.gz	OAOFZKSWNJEEHE-SNVBAGLBSA-N	2	2	335.192	2.489	10	10		EECELP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1	ZINC000191330490	529152476	/nfs/dbraw/zinc/15/24/76/529152476.db2.gz	BOEXHKUTQPSWKJ-ZDUSSCGKSA-N	2	2	341.858	2.397	10	10		EECELP
CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)CC1	ZINC000191330490	529152477	/nfs/dbraw/zinc/15/24/77/529152477.db2.gz	BOEXHKUTQPSWKJ-ZDUSSCGKSA-N	2	2	341.858	2.397	10	10		EECELP
CC[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O	ZINC000775551011	577439305	/nfs/dbraw/zinc/43/93/05/577439305.db2.gz	GAPHALYEOUIGMQ-HZPDHXFCSA-N	2	2	342.443	2.358	10	10		EECELP
Oc1cc2c(cc1C[NH2+]C1CCN(c3cccc[nH+]3)CC1)OCO2	ZINC000063255952	462635398	/nfs/dbraw/zinc/63/53/98/462635398.db2.gz	DMMUFCQCESFTEG-UHFFFAOYSA-N	2	2	327.384	2.275	10	10		EECELP
CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1	ZINC000278229515	463958291	/nfs/dbraw/zinc/95/82/91/463958291.db2.gz	MOGSSKGQTPZUMS-JSGCOSHPSA-N	2	2	337.420	2.471	10	10		EECELP
CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1	ZINC000278229515	463958295	/nfs/dbraw/zinc/95/82/95/463958295.db2.gz	MOGSSKGQTPZUMS-JSGCOSHPSA-N	2	2	337.420	2.471	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C	ZINC001480547364	1100380882	/nfs/dbraw/zinc/38/08/82/1100380882.db2.gz	ZRUGCATWCDRQQC-CVEARBPZSA-N	2	2	344.459	2.446	10	10		EECELP
CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1O	ZINC000184766212	465024618	/nfs/dbraw/zinc/02/46/18/465024618.db2.gz	LTOXRZVTCPHACZ-UHFFFAOYSA-N	2	2	328.416	2.212	10	10		EECELP
C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)CN1CC[NH+](C)CC1	ZINC000293609131	464414474	/nfs/dbraw/zinc/41/44/74/464414474.db2.gz	LRTPSLOMVYKTFU-LBPRGKRZSA-N	2	2	329.847	2.158	10	10		EECELP
Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1	ZINC000757657813	577862032	/nfs/dbraw/zinc/86/20/32/577862032.db2.gz	QZIGTHWNGOGTNR-HOCLYGCPSA-N	2	2	342.443	2.276	10	10		EECELP
COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043958	1315827413	/nfs/dbraw/zinc/82/74/13/1315827413.db2.gz	DUIBYEOZHBQNBB-GXTWGEPZSA-N	2	2	335.404	2.273	10	10		EECELP
COc1c(O)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043958	1315827416	/nfs/dbraw/zinc/82/74/16/1315827416.db2.gz	DUIBYEOZHBQNBB-GXTWGEPZSA-N	2	2	335.404	2.273	10	10		EECELP
COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001668287565	1355915852	/nfs/dbraw/zinc/91/58/52/1355915852.db2.gz	AFVUIEFNVNSYCU-CQSZACIVSA-N	2	2	344.459	2.262	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C	ZINC001669321092	1356145036	/nfs/dbraw/zinc/14/50/36/1356145036.db2.gz	XMQTYGTWPWPWGK-FVQBIDKESA-N	2	2	342.443	2.125	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C	ZINC001669321092	1356145038	/nfs/dbraw/zinc/14/50/38/1356145038.db2.gz	XMQTYGTWPWPWGK-FVQBIDKESA-N	2	2	342.443	2.125	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C	ZINC000775717896	577443599	/nfs/dbraw/zinc/44/35/99/577443599.db2.gz	UGWHBBMBZTUQDE-FXAWDEMLSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C	ZINC000775717896	577443600	/nfs/dbraw/zinc/44/36/00/577443600.db2.gz	UGWHBBMBZTUQDE-FXAWDEMLSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717896	577443601	/nfs/dbraw/zinc/44/36/01/577443601.db2.gz	UGWHBBMBZTUQDE-FXAWDEMLSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717896	577443602	/nfs/dbraw/zinc/44/36/02/577443602.db2.gz	UGWHBBMBZTUQDE-FXAWDEMLSA-N	3	2	330.520	2.353	10	10		EECELP
C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1O	ZINC000294096764	464432189	/nfs/dbraw/zinc/43/21/89/464432189.db2.gz	ZXZZAEKCVOBNGK-UHFFFAOYSA-N	2	2	329.847	2.254	10	10		EECELP
C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)c(F)cc1O	ZINC000294096764	464432193	/nfs/dbraw/zinc/43/21/93/464432193.db2.gz	ZXZZAEKCVOBNGK-UHFFFAOYSA-N	2	2	329.847	2.254	10	10		EECELP
CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1	ZINC000295323521	464789875	/nfs/dbraw/zinc/78/98/75/464789875.db2.gz	LMFYMTHNBCVLSP-CQSZACIVSA-N	2	2	341.858	2.397	10	10		EECELP
CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1	ZINC000295323521	464789877	/nfs/dbraw/zinc/78/98/77/464789877.db2.gz	LMFYMTHNBCVLSP-CQSZACIVSA-N	2	2	341.858	2.397	10	10		EECELP
C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669174	577560594	/nfs/dbraw/zinc/56/05/94/577560594.db2.gz	DYEWMWOCIRTBPX-UTKZUKDTSA-N	3	2	342.531	2.258	10	10		EECELP
C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669174	577560595	/nfs/dbraw/zinc/56/05/95/577560595.db2.gz	DYEWMWOCIRTBPX-UTKZUKDTSA-N	3	2	342.531	2.258	10	10		EECELP
COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C	ZINC001275361772	1205320918	/nfs/dbraw/zinc/32/09/18/1205320918.db2.gz	XRYNAAAUBFKWRN-GJZGRUSLSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C	ZINC001275361772	1205320920	/nfs/dbraw/zinc/32/09/20/1205320920.db2.gz	XRYNAAAUBFKWRN-GJZGRUSLSA-N	2	2	344.459	2.200	10	10		EECELP
COc1cc(C)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O	ZINC000530106495	467951205	/nfs/dbraw/zinc/95/12/05/467951205.db2.gz	XOWQCJQOYKSJGD-UHFFFAOYSA-N	2	2	334.460	2.396	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1	ZINC000184765304	465024663	/nfs/dbraw/zinc/02/46/63/465024663.db2.gz	VOTNZMNACWXRLZ-UHFFFAOYSA-N	2	2	328.416	2.212	10	10		EECELP
CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026706	465278547	/nfs/dbraw/zinc/27/85/47/465278547.db2.gz	BEBMEAXMDYAEFZ-VQIMIIECSA-N	2	2	346.519	2.031	10	10		EECELP
CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026706	465278554	/nfs/dbraw/zinc/27/85/54/465278554.db2.gz	BEBMEAXMDYAEFZ-VQIMIIECSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026706	465278560	/nfs/dbraw/zinc/27/85/60/465278560.db2.gz	BEBMEAXMDYAEFZ-VQIMIIECSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026706	465278564	/nfs/dbraw/zinc/27/85/64/465278564.db2.gz	BEBMEAXMDYAEFZ-VQIMIIECSA-N	2	2	346.519	2.031	10	10		EECELP
CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925632233	1206137626	/nfs/dbraw/zinc/13/76/26/1206137626.db2.gz	VRRPZDOCGQGUQN-HXUWFJFHSA-N	3	2	342.531	2.449	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1O	ZINC000841059273	1315465644	/nfs/dbraw/zinc/46/56/44/1315465644.db2.gz	OZEYZLJSSGAVAF-BXKDBHETSA-N	2	2	329.238	2.251	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2F)CC1	ZINC001325202242	1333847118	/nfs/dbraw/zinc/84/71/18/1333847118.db2.gz	VSXAJIKCNRYWSF-UHFFFAOYSA-N	2	2	333.451	2.190	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2F)CC1	ZINC001325202242	1333847121	/nfs/dbraw/zinc/84/71/21/1333847121.db2.gz	VSXAJIKCNRYWSF-UHFFFAOYSA-N	2	2	333.451	2.190	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCn4ccnc43)cc2F)CC1	ZINC001344070376	1337364173	/nfs/dbraw/zinc/36/41/73/1337364173.db2.gz	RDKHBKKZRNFUGH-INIZCTEOSA-N	2	2	329.423	2.009	10	10		EECELP
CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1	ZINC000278229519	463958533	/nfs/dbraw/zinc/95/85/33/463958533.db2.gz	MOGSSKGQTPZUMS-OCCSQVGLSA-N	2	2	337.420	2.471	10	10		EECELP
CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1	ZINC000278229519	463958537	/nfs/dbraw/zinc/95/85/37/463958537.db2.gz	MOGSSKGQTPZUMS-OCCSQVGLSA-N	2	2	337.420	2.471	10	10		EECELP
COc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1	ZINC000850487823	1277245026	/nfs/dbraw/zinc/24/50/26/1277245026.db2.gz	PKLQIWFXIOLYNA-HKUYNNGSSA-N	2	2	345.487	2.117	10	10		EECELP
CCN(CC)[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1	ZINC001339602817	1337036056	/nfs/dbraw/zinc/03/60/56/1337036056.db2.gz	BHINKUWIBWZUDF-MRXNPFEDSA-N	2	2	336.499	2.397	10	10		EECELP
CC[NH+](CC)[C@H](C)CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1	ZINC001339602817	1337036059	/nfs/dbraw/zinc/03/60/59/1337036059.db2.gz	BHINKUWIBWZUDF-MRXNPFEDSA-N	2	2	336.499	2.397	10	10		EECELP
CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)Cc1[nH]c[nH+]c1C	ZINC001568794479	1124807983	/nfs/dbraw/zinc/80/79/83/1124807983.db2.gz	ZUJHZNYPIFEPLQ-UHFFFAOYSA-N	2	2	344.459	2.216	10	10		EECELP
COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C	ZINC001275361771	1205320870	/nfs/dbraw/zinc/32/08/70/1205320870.db2.gz	XRYNAAAUBFKWRN-CABCVRRESA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C	ZINC001275361771	1205320872	/nfs/dbraw/zinc/32/08/72/1205320872.db2.gz	XRYNAAAUBFKWRN-CABCVRRESA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C	ZINC001569021029	1125047833	/nfs/dbraw/zinc/04/78/33/1125047833.db2.gz	PRTJSOLWEFPXMN-HZPDHXFCSA-N	2	2	344.459	2.446	10	10		EECELP
Oc1cc(F)c(Cl)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1	ZINC000295010644	464678232	/nfs/dbraw/zinc/67/82/32/464678232.db2.gz	VNTVYTNLAQLDLG-UHFFFAOYSA-N	2	2	341.858	2.398	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C	ZINC001266948652	1177874772	/nfs/dbraw/zinc/87/47/72/1177874772.db2.gz	FOZVXZIEPZVCMU-FVQBIDKESA-N	2	2	342.443	2.125	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C	ZINC001266948652	1177874779	/nfs/dbraw/zinc/87/47/79/1177874779.db2.gz	FOZVXZIEPZVCMU-FVQBIDKESA-N	2	2	342.443	2.125	10	10		EECELP
CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1	ZINC000278229511	463957185	/nfs/dbraw/zinc/95/71/85/463957185.db2.gz	MOGSSKGQTPZUMS-GXTWGEPZSA-N	2	2	337.420	2.471	10	10		EECELP
CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@@H](C)C1	ZINC000278229511	463957191	/nfs/dbraw/zinc/95/71/91/463957191.db2.gz	MOGSSKGQTPZUMS-GXTWGEPZSA-N	2	2	337.420	2.471	10	10		EECELP
c1cn(C[C@@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1	ZINC000188418174	464275222	/nfs/dbraw/zinc/27/52/22/464275222.db2.gz	HUQPCRNCSSANQH-IBGZPJMESA-N	2	2	326.444	2.384	10	10		EECELP
c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1	ZINC000188418174	464275227	/nfs/dbraw/zinc/27/52/27/464275227.db2.gz	HUQPCRNCSSANQH-IBGZPJMESA-N	2	2	326.444	2.384	10	10		EECELP
COc1c(O)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-]	ZINC000369537309	466736904	/nfs/dbraw/zinc/73/69/04/466736904.db2.gz	PKJKZSKZSRUAII-UHFFFAOYSA-N	2	2	335.404	2.416	10	10		EECELP
CCOC(=O)[C@H](CC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000753572159	577790134	/nfs/dbraw/zinc/79/01/34/577790134.db2.gz	RIPCQZCBKRBKDO-IBGZPJMESA-N	2	2	345.487	2.260	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)CC2)cc1	ZINC000924579544	1205999238	/nfs/dbraw/zinc/99/92/38/1205999238.db2.gz	KUOQGRVEQZLUGM-FUHIMQAGSA-N	2	2	347.503	2.220	10	10		EECELP
COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043963	1315827539	/nfs/dbraw/zinc/82/75/39/1315827539.db2.gz	DUIBYEOZHBQNBB-TZMCWYRMSA-N	2	2	335.404	2.273	10	10		EECELP
COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043963	1315827541	/nfs/dbraw/zinc/82/75/41/1315827541.db2.gz	DUIBYEOZHBQNBB-TZMCWYRMSA-N	2	2	335.404	2.273	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C	ZINC001320508555	1332900171	/nfs/dbraw/zinc/90/01/71/1332900171.db2.gz	BAUVQDKZXMRZNT-SJLPKXTDSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C	ZINC001320508555	1332900175	/nfs/dbraw/zinc/90/01/75/1332900175.db2.gz	BAUVQDKZXMRZNT-SJLPKXTDSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508555	1332900177	/nfs/dbraw/zinc/90/01/77/1332900177.db2.gz	BAUVQDKZXMRZNT-SJLPKXTDSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508555	1332900180	/nfs/dbraw/zinc/90/01/80/1332900180.db2.gz	BAUVQDKZXMRZNT-SJLPKXTDSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O	ZINC000757658109	577862025	/nfs/dbraw/zinc/86/20/25/577862025.db2.gz	VAIHZKNQPNODPL-DOMZBBRYSA-N	2	2	346.406	2.107	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C	ZINC001483175924	1189027378	/nfs/dbraw/zinc/02/73/78/1189027378.db2.gz	XRYNAAAUBFKWRN-HUUCEWRRSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C	ZINC001483175924	1189027383	/nfs/dbraw/zinc/02/73/83/1189027383.db2.gz	XRYNAAAUBFKWRN-HUUCEWRRSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)cc1C	ZINC001568465101	1124527633	/nfs/dbraw/zinc/52/76/33/1124527633.db2.gz	AZUJCNQUWFJDGL-MRXNPFEDSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1C	ZINC001569021028	1125047310	/nfs/dbraw/zinc/04/73/10/1125047310.db2.gz	PRTJSOLWEFPXMN-CVEARBPZSA-N	2	2	344.459	2.446	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C	ZINC001266948653	1177874736	/nfs/dbraw/zinc/87/47/36/1177874736.db2.gz	FOZVXZIEPZVCMU-NUEKZKHPSA-N	2	2	342.443	2.125	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C	ZINC001266948653	1177874745	/nfs/dbraw/zinc/87/47/45/1177874745.db2.gz	FOZVXZIEPZVCMU-NUEKZKHPSA-N	2	2	342.443	2.125	10	10		EECELP
CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925632227	1206137871	/nfs/dbraw/zinc/13/78/71/1206137871.db2.gz	VRRPZDOCGQGUQN-FQEVSTJZSA-N	3	2	342.531	2.449	10	10		EECELP
Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1	ZINC000757657806	577862040	/nfs/dbraw/zinc/86/20/40/577862040.db2.gz	QZIGTHWNGOGTNR-GDBMZVCRSA-N	2	2	342.443	2.276	10	10		EECELP
OC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2F)CC1	ZINC000925500390	1206120032	/nfs/dbraw/zinc/12/00/32/1206120032.db2.gz	FACBJFYKYSELMM-SFHVURJKSA-N	2	2	333.451	2.161	10	10		EECELP
COc1ccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)cc1C	ZINC001319967251	1332802817	/nfs/dbraw/zinc/80/28/17/1332802817.db2.gz	CHCQKKQSSJZOQX-QGZVFWFLSA-N	2	2	344.459	2.131	10	10		EECELP
Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1	ZINC000328634052	258026529	/nfs/dbraw/zinc/02/65/29/258026529.db2.gz	MLMVNKCPPSAMOK-LPHOPBHVSA-N	2	2	326.444	2.422	10	10		EECELP
Cc1nc(N2CC[NH+](Cc3ccc(N(C)C)c(F)c3)CC2)cc[nH+]1	ZINC000273792631	464725879	/nfs/dbraw/zinc/72/58/79/464725879.db2.gz	VNYYIBWFBSSZLO-UHFFFAOYSA-N	2	2	329.423	2.312	10	10		EECELP
COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1	ZINC000817940915	785086667	/nfs/dbraw/zinc/08/66/67/785086667.db2.gz	PDIHQGNEKLUSTI-CQSZACIVSA-N	2	2	343.427	2.404	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C)[C@H]3C)CC2)cc1	ZINC000924579546	1205999188	/nfs/dbraw/zinc/99/91/88/1205999188.db2.gz	KUOQGRVEQZLUGM-MBOZVWFJSA-N	2	2	347.503	2.220	10	10		EECELP
C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O	ZINC000757658111	577862053	/nfs/dbraw/zinc/86/20/53/577862053.db2.gz	VAIHZKNQPNODPL-IUODEOHRSA-N	2	2	346.406	2.107	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1C	ZINC001485177269	1191677607	/nfs/dbraw/zinc/67/76/07/1191677607.db2.gz	NUPPZCJXBWAWSA-JKSUJKDBSA-N	2	2	344.459	2.273	10	10		EECELP
COc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CC2)cc1C	ZINC001323459988	1333467948	/nfs/dbraw/zinc/46/79/48/1333467948.db2.gz	QYNVKBOYVDEHSF-UHFFFAOYSA-N	2	2	342.443	2.098	10	10		EECELP
COc1ccc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CC2)cc1C	ZINC001323459988	1333467950	/nfs/dbraw/zinc/46/79/50/1333467950.db2.gz	QYNVKBOYVDEHSF-UHFFFAOYSA-N	2	2	342.443	2.098	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCn4ccnc43)cc2F)CC1	ZINC001344070378	1337364070	/nfs/dbraw/zinc/36/40/70/1337364070.db2.gz	RDKHBKKZRNFUGH-MRXNPFEDSA-N	2	2	329.423	2.009	10	10		EECELP
c1cn(C[C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1	ZINC000188418147	464275725	/nfs/dbraw/zinc/27/57/25/464275725.db2.gz	HUQPCRNCSSANQH-LJQANCHMSA-N	2	2	326.444	2.384	10	10		EECELP
c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)c[nH+]1	ZINC000188418147	464275731	/nfs/dbraw/zinc/27/57/31/464275731.db2.gz	HUQPCRNCSSANQH-LJQANCHMSA-N	2	2	326.444	2.384	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1O	ZINC000841059275	1315465420	/nfs/dbraw/zinc/46/54/20/1315465420.db2.gz	OZEYZLJSSGAVAF-JOYOIKCWSA-N	2	2	329.238	2.251	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C	ZINC000177056993	464918523	/nfs/dbraw/zinc/91/85/23/464918523.db2.gz	PZOQSSPRSCGHFS-APWZRJJASA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C	ZINC000177056993	464918530	/nfs/dbraw/zinc/91/85/30/464918530.db2.gz	PZOQSSPRSCGHFS-APWZRJJASA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056993	464918538	/nfs/dbraw/zinc/91/85/38/464918538.db2.gz	PZOQSSPRSCGHFS-APWZRJJASA-N	2	2	346.519	2.126	10	10		EECELP
C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056993	464918545	/nfs/dbraw/zinc/91/85/45/464918545.db2.gz	PZOQSSPRSCGHFS-APWZRJJASA-N	2	2	346.519	2.126	10	10		EECELP
Oc1cc2c(cc1C[N@@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)OCO2	ZINC000092812865	534447855	/nfs/dbraw/zinc/44/78/55/534447855.db2.gz	NKZVMSHQENMDIK-ZDUSSCGKSA-N	2	2	327.384	2.450	10	10		EECELP
Oc1cc2c(cc1C[N@H+]1CC[C@@H](CNc3cccc[nH+]3)C1)OCO2	ZINC000092812865	534447862	/nfs/dbraw/zinc/44/78/62/534447862.db2.gz	NKZVMSHQENMDIK-ZDUSSCGKSA-N	2	2	327.384	2.450	10	10		EECELP
CC[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1	ZINC000850013621	1276991199	/nfs/dbraw/zinc/99/11/99/1276991199.db2.gz	KIIWNEFZIAZOSD-IEBWSBKVSA-N	2	2	347.503	2.364	10	10		EECELP
COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001497734662	1102984878	/nfs/dbraw/zinc/98/48/78/1102984878.db2.gz	PNXKISCCPRWNPP-SNAWJCMRSA-N	2	2	342.443	2.040	10	10		EECELP
C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)c(F)cc1O	ZINC000294480567	464513195	/nfs/dbraw/zinc/51/31/95/464513195.db2.gz	AMADXLYUPPNCRS-LBPRGKRZSA-N	2	2	329.847	2.300	10	10		EECELP
CC[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1	ZINC000850013622	1276990978	/nfs/dbraw/zinc/99/09/78/1276990978.db2.gz	KIIWNEFZIAZOSD-MJGOQNOKSA-N	2	2	347.503	2.364	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001480804575	1107147971	/nfs/dbraw/zinc/14/79/71/1107147971.db2.gz	CCBHAEOMXBRXLO-CQSZACIVSA-N	2	2	344.459	2.262	10	10		EECELP
C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O	ZINC000179879635	464202857	/nfs/dbraw/zinc/20/28/57/464202857.db2.gz	PVALBECMDMJKAG-YJBOKZPZSA-N	2	2	326.440	2.462	10	10		EECELP
C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O	ZINC000179879635	464202866	/nfs/dbraw/zinc/20/28/66/464202866.db2.gz	PVALBECMDMJKAG-YJBOKZPZSA-N	2	2	326.440	2.462	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1	ZINC000529663913	467892015	/nfs/dbraw/zinc/89/20/15/467892015.db2.gz	MZLKIZYYBMMHFD-UHFFFAOYSA-N	2	2	334.460	2.478	10	10		EECELP
c1nc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)co1	ZINC000758424324	577624452	/nfs/dbraw/zinc/62/44/52/577624452.db2.gz	IJXVAEDUGLBBFZ-UHFFFAOYSA-N	2	2	326.444	2.496	10	10		EECELP
Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1	ZINC000757656934	577861958	/nfs/dbraw/zinc/86/19/58/577861958.db2.gz	PPMANOJFNXDIDZ-GOEBONIOSA-N	2	2	342.443	2.276	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1O	ZINC000841059274	1315465611	/nfs/dbraw/zinc/46/56/11/1315465611.db2.gz	OZEYZLJSSGAVAF-CABZTGNLSA-N	2	2	329.238	2.251	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1	ZINC001328019602	1334380067	/nfs/dbraw/zinc/38/00/67/1334380067.db2.gz	PRPLTIJXEHPAIC-GOSISDBHSA-N	2	2	339.430	2.294	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@@](C)(C(F)F)C3)cc2)CC1	ZINC001328019602	1334380069	/nfs/dbraw/zinc/38/00/69/1334380069.db2.gz	PRPLTIJXEHPAIC-GOSISDBHSA-N	2	2	339.430	2.294	10	10		EECELP
C/C=C/C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC	ZINC000763360181	577719825	/nfs/dbraw/zinc/71/98/25/577719825.db2.gz	BASAZHWOIBCPFS-FHHGHWCOSA-N	2	2	345.487	2.426	10	10		EECELP
Oc1ccc(Cl)c(F)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1	ZINC000841087728	1315471626	/nfs/dbraw/zinc/47/16/26/1315471626.db2.gz	RTLFIVAINJVCSU-UHFFFAOYSA-N	2	2	341.858	2.491	10	10		EECELP
COc1cc(O)c(C[N@H+](CC[NH3+])CCc2ccccc2)cc1OC	ZINC000843121347	1315847988	/nfs/dbraw/zinc/84/79/88/1315847988.db2.gz	FFLQYOSFWFSHBN-UHFFFAOYSA-N	2	2	330.428	2.413	10	10		EECELP
COc1cc(O)c(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1OC	ZINC000843121347	1315847989	/nfs/dbraw/zinc/84/79/89/1315847989.db2.gz	FFLQYOSFWFSHBN-UHFFFAOYSA-N	2	2	330.428	2.413	10	10		EECELP
C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC001326222694	1334046653	/nfs/dbraw/zinc/04/66/53/1334046653.db2.gz	QIOPZOWHLGOEST-JWTNVVGKSA-N	3	2	346.494	2.292	10	10		EECELP
C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC001326222694	1334046655	/nfs/dbraw/zinc/04/66/55/1334046655.db2.gz	QIOPZOWHLGOEST-JWTNVVGKSA-N	3	2	346.494	2.292	10	10		EECELP
C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817915919	785069184	/nfs/dbraw/zinc/06/91/84/785069184.db2.gz	BIJWAKXZHUKSFG-UTKZUKDTSA-N	3	2	342.531	2.306	10	10		EECELP
OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2)CC1	ZINC000925502998	1206120397	/nfs/dbraw/zinc/12/03/97/1206120397.db2.gz	MNMOWJXVXRAVPT-LJQANCHMSA-N	2	2	329.488	2.270	10	10		EECELP
OC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)cc2)CC1	ZINC000925715002	1206145751	/nfs/dbraw/zinc/14/57/51/1206145751.db2.gz	BBPFOXPXIANDMW-LJQANCHMSA-N	2	2	329.488	2.412	10	10		EECELP
CCC1([NH+]2CCOCC2)CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000862535809	1295869907	/nfs/dbraw/zinc/86/99/07/1295869907.db2.gz	YUAUQWHHNPWFTE-UHFFFAOYSA-N	2	2	334.460	2.478	10	10		EECELP
C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1O	ZINC000863542760	1296327656	/nfs/dbraw/zinc/32/76/56/1296327656.db2.gz	YZSJETFWZDVZDB-JTQLQIEISA-N	2	2	329.238	2.313	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1	ZINC000809713070	783328286	/nfs/dbraw/zinc/32/82/86/783328286.db2.gz	YKMTYSJLWWTLSW-KRWDZBQOSA-N	2	2	339.430	2.294	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3CC(F)F)cc2)CC1	ZINC000809713070	783328296	/nfs/dbraw/zinc/32/82/96/783328296.db2.gz	YKMTYSJLWWTLSW-KRWDZBQOSA-N	2	2	339.430	2.294	10	10		EECELP
C/C=C/C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC	ZINC000763360184	577719880	/nfs/dbraw/zinc/71/98/80/577719880.db2.gz	BASAZHWOIBCPFS-OQBYNLHGSA-N	2	2	345.487	2.426	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1	ZINC000925561112	1206128183	/nfs/dbraw/zinc/12/81/83/1206128183.db2.gz	YQOKRZOIMQYQFC-RTBURBONSA-N	3	2	346.494	2.327	10	10		EECELP
CN(C)c1ccc(/C=C/C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000827699464	1248656035	/nfs/dbraw/zinc/65/60/35/1248656035.db2.gz	HQMQOSRRWPVZDF-YADGQWAMSA-N	2	2	329.488	2.297	10	10		EECELP
CN(C)c1ccc(/C=C/C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1	ZINC000827699464	1248656047	/nfs/dbraw/zinc/65/60/47/1248656047.db2.gz	HQMQOSRRWPVZDF-YADGQWAMSA-N	2	2	329.488	2.297	10	10		EECELP
COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000925782112	775635470	/nfs/dbraw/zinc/63/54/70/775635470.db2.gz	KXOMYPKJUOCKLC-ZYHUDNBSSA-N	2	2	328.359	2.074	10	10		EECELP
C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1	ZINC000817917804	785068394	/nfs/dbraw/zinc/06/83/94/785068394.db2.gz	SQTBKQJBYXZYHP-LAUBAEHRSA-N	3	2	342.531	2.449	10	10		EECELP
C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O	ZINC000863544024	1296328150	/nfs/dbraw/zinc/32/81/50/1296328150.db2.gz	ITCOFYMMKWUYOM-VIFPVBQESA-N	2	2	335.217	2.180	10	10		EECELP
C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1	ZINC000817917805	785068156	/nfs/dbraw/zinc/06/81/56/785068156.db2.gz	SQTBKQJBYXZYHP-UTKZUKDTSA-N	3	2	342.531	2.449	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1	ZINC000092079768	237034576	/nfs/dbraw/zinc/03/45/76/237034576.db2.gz	TWMXRKBAWQYGML-HNNXBMFYSA-N	2	2	334.460	2.476	10	10		EECELP
CCOc1ccc(O)c(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1	ZINC000092079768	237034587	/nfs/dbraw/zinc/03/45/87/237034587.db2.gz	TWMXRKBAWQYGML-HNNXBMFYSA-N	2	2	334.460	2.476	10	10		EECELP
CC[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1O	ZINC000775551009	577439379	/nfs/dbraw/zinc/43/93/79/577439379.db2.gz	GAPHALYEOUIGMQ-CVEARBPZSA-N	2	2	342.443	2.358	10	10		EECELP
COc1ccc(C[NH2+][C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C(C)C)cc1C	ZINC001568465100	1124527317	/nfs/dbraw/zinc/52/73/17/1124527317.db2.gz	AZUJCNQUWFJDGL-INIZCTEOSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)CC2)cc1	ZINC000924579538	1205998844	/nfs/dbraw/zinc/99/88/44/1205998844.db2.gz	KUOQGRVEQZLUGM-ABSDTBQOSA-N	2	2	347.503	2.220	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1O	ZINC000863485048	1296302801	/nfs/dbraw/zinc/30/28/01/1296302801.db2.gz	SIOWBBDIRSHBSO-BXKDBHETSA-N	2	2	329.238	2.393	10	10		EECELP
C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669173	577560544	/nfs/dbraw/zinc/56/05/44/577560544.db2.gz	DYEWMWOCIRTBPX-LAUBAEHRSA-N	3	2	342.531	2.258	10	10		EECELP
C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669173	577560545	/nfs/dbraw/zinc/56/05/45/577560545.db2.gz	DYEWMWOCIRTBPX-LAUBAEHRSA-N	3	2	342.531	2.258	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)([NH+]4CCC4)CC3)cc2)CC1	ZINC000895671565	684681925	/nfs/dbraw/zinc/68/19/25/684681925.db2.gz	QVIHAUJQVLRSKR-UHFFFAOYSA-N	3	2	342.531	2.499	10	10		EECELP
COc1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1O	ZINC000903971410	1242799575	/nfs/dbraw/zinc/79/95/75/1242799575.db2.gz	AWXLPNUUMNBOFG-CQSZACIVSA-N	2	2	340.851	2.303	10	10		EECELP
COc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000180095583	464241053	/nfs/dbraw/zinc/24/10/53/464241053.db2.gz	NBKDUZSSEFXDCB-UHFFFAOYSA-N	2	2	344.459	2.194	10	10		EECELP
COc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000180095583	464241062	/nfs/dbraw/zinc/24/10/62/464241062.db2.gz	NBKDUZSSEFXDCB-UHFFFAOYSA-N	2	2	344.459	2.194	10	10		EECELP
C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O	ZINC000925856406	1206161842	/nfs/dbraw/zinc/16/18/42/1206161842.db2.gz	NRZMXERZIFSYKL-ZYHUDNBSSA-N	2	2	340.370	2.006	10	10		EECELP
C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccccc1O	ZINC000179879648	464202538	/nfs/dbraw/zinc/20/25/38/464202538.db2.gz	PVALBECMDMJKAG-QAPCUYQASA-N	2	2	326.440	2.462	10	10		EECELP
C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccccc1O	ZINC000179879648	464202542	/nfs/dbraw/zinc/20/25/42/464202542.db2.gz	PVALBECMDMJKAG-QAPCUYQASA-N	2	2	326.440	2.462	10	10		EECELP
Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1	ZINC000757656941	577862066	/nfs/dbraw/zinc/86/20/66/577862066.db2.gz	PPMANOJFNXDIDZ-ZBFHGGJFSA-N	2	2	342.443	2.276	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001275554985	1205409907	/nfs/dbraw/zinc/40/99/07/1205409907.db2.gz	ZTUCMGRPQJQHNW-KGLIPLIRSA-N	2	2	344.459	2.261	10	10		EECELP
C[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1	ZINC000817917807	785069035	/nfs/dbraw/zinc/06/90/35/785069035.db2.gz	SQTBKQJBYXZYHP-UWJYYQICSA-N	3	2	342.531	2.449	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C	ZINC000775717897	577443584	/nfs/dbraw/zinc/44/35/84/577443584.db2.gz	UGWHBBMBZTUQDE-PXNSSMCTSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C	ZINC000775717897	577443585	/nfs/dbraw/zinc/44/35/85/577443585.db2.gz	UGWHBBMBZTUQDE-PXNSSMCTSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717897	577443586	/nfs/dbraw/zinc/44/35/86/577443586.db2.gz	UGWHBBMBZTUQDE-PXNSSMCTSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717897	577443587	/nfs/dbraw/zinc/44/35/87/577443587.db2.gz	UGWHBBMBZTUQDE-PXNSSMCTSA-N	3	2	330.520	2.353	10	10		EECELP
COc1ccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)cc1C	ZINC001280507629	1324262930	/nfs/dbraw/zinc/26/29/30/1324262930.db2.gz	GZUFCVIILPFPOE-UHFFFAOYSA-N	2	2	342.443	2.098	10	10		EECELP
Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1	ZINC000328634051	258026664	/nfs/dbraw/zinc/02/66/64/258026664.db2.gz	MLMVNKCPPSAMOK-APWZRJJASA-N	2	2	326.444	2.422	10	10		EECELP
OC1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)cc2F)CC1	ZINC000925500389	1206119865	/nfs/dbraw/zinc/11/98/65/1206119865.db2.gz	FACBJFYKYSELMM-GOSISDBHSA-N	2	2	333.451	2.161	10	10		EECELP
CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O	ZINC000863484343	1296301680	/nfs/dbraw/zinc/30/16/80/1296301680.db2.gz	WRCFXXWSLDJVJS-NWDGAFQWSA-N	2	2	329.238	2.393	10	10		EECELP
C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCn2cccn2)CC1	ZINC000180104055	464243368	/nfs/dbraw/zinc/24/33/68/464243368.db2.gz	BNWBFPPNFMUWHL-UHFFFAOYSA-N	2	2	332.423	2.324	10	10		EECELP
C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](CCn2cccn2)CC1	ZINC000180104055	464243372	/nfs/dbraw/zinc/24/33/72/464243372.db2.gz	BNWBFPPNFMUWHL-UHFFFAOYSA-N	2	2	332.423	2.324	10	10		EECELP
C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O	ZINC000925856404	1206161655	/nfs/dbraw/zinc/16/16/55/1206161655.db2.gz	NRZMXERZIFSYKL-JQWIXIFHSA-N	2	2	340.370	2.006	10	10		EECELP
COc1ccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)cc1C	ZINC001319967250	1332802957	/nfs/dbraw/zinc/80/29/57/1332802957.db2.gz	CHCQKKQSSJZOQX-KRWDZBQOSA-N	2	2	344.459	2.131	10	10		EECELP
Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCN3C)CCO1	ZINC000328634054	258026557	/nfs/dbraw/zinc/02/65/57/258026557.db2.gz	MLMVNKCPPSAMOK-VQIMIIECSA-N	2	2	326.444	2.422	10	10		EECELP
C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1	ZINC000294466955	464509235	/nfs/dbraw/zinc/50/92/35/464509235.db2.gz	ZEHLAIJQJKNNAH-UHFFFAOYSA-N	2	2	329.847	2.300	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)cc2F)CC1	ZINC000756117849	577838672	/nfs/dbraw/zinc/83/86/72/577838672.db2.gz	BGAGEBWUEUVPNY-CRAIPNDOSA-N	3	2	334.483	2.007	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)cc2F)CC1	ZINC000756117849	577838673	/nfs/dbraw/zinc/83/86/73/577838673.db2.gz	BGAGEBWUEUVPNY-CRAIPNDOSA-N	3	2	334.483	2.007	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C	ZINC001483175925	1189027289	/nfs/dbraw/zinc/02/72/89/1189027289.db2.gz	XRYNAAAUBFKWRN-LSDHHAIUSA-N	2	2	344.459	2.200	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C	ZINC001483175925	1189027295	/nfs/dbraw/zinc/02/72/95/1189027295.db2.gz	XRYNAAAUBFKWRN-LSDHHAIUSA-N	2	2	344.459	2.200	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C	ZINC001320508556	1332900333	/nfs/dbraw/zinc/90/03/33/1332900333.db2.gz	BAUVQDKZXMRZNT-WMZOPIPTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C	ZINC001320508556	1332900337	/nfs/dbraw/zinc/90/03/37/1332900337.db2.gz	BAUVQDKZXMRZNT-WMZOPIPTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508556	1332900339	/nfs/dbraw/zinc/90/03/39/1332900339.db2.gz	BAUVQDKZXMRZNT-WMZOPIPTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508556	1332900342	/nfs/dbraw/zinc/90/03/42/1332900342.db2.gz	BAUVQDKZXMRZNT-WMZOPIPTSA-N	3	2	348.510	2.492	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCCc4n[nH]cc4C3)cc2F)CC1	ZINC001261695206	1322156733	/nfs/dbraw/zinc/15/67/33/1322156733.db2.gz	JLKVMIXTOXUVSW-UHFFFAOYSA-N	2	2	343.450	2.249	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCCc4n[nH]cc4C3)cc2F)CC1	ZINC001261695206	1322156744	/nfs/dbraw/zinc/15/67/44/1322156744.db2.gz	JLKVMIXTOXUVSW-UHFFFAOYSA-N	2	2	343.450	2.249	10	10		EECELP
Fc1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCOCC1	ZINC000810171595	1199310117	/nfs/dbraw/zinc/31/01/17/1199310117.db2.gz	MCYVUESZQLNDFE-AWEZNQCLSA-N	2	2	330.407	2.033	10	10		EECELP
C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1O	ZINC000863542761	1296327090	/nfs/dbraw/zinc/32/70/90/1296327090.db2.gz	YZSJETFWZDVZDB-SNVBAGLBSA-N	2	2	329.238	2.313	10	10		EECELP
CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1O	ZINC000092079301	237036255	/nfs/dbraw/zinc/03/62/55/237036255.db2.gz	CJHMTRMLRJZQOZ-HNNXBMFYSA-N	2	2	334.460	2.476	10	10		EECELP
CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1O	ZINC000092079301	237036265	/nfs/dbraw/zinc/03/62/65/237036265.db2.gz	CJHMTRMLRJZQOZ-HNNXBMFYSA-N	2	2	334.460	2.476	10	10		EECELP
Cc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000180095422	464240830	/nfs/dbraw/zinc/24/08/30/464240830.db2.gz	JYAJRQULUYZWTA-UHFFFAOYSA-N	2	2	328.460	2.494	10	10		EECELP
Cc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1O	ZINC000180095422	464240837	/nfs/dbraw/zinc/24/08/37/464240837.db2.gz	JYAJRQULUYZWTA-UHFFFAOYSA-N	2	2	328.460	2.494	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)cc2F)CC1	ZINC000925561102	1206128330	/nfs/dbraw/zinc/12/83/30/1206128330.db2.gz	YQOKRZOIMQYQFC-MOPGFXCFSA-N	3	2	346.494	2.327	10	10		EECELP
C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O	ZINC000925856401	1206161595	/nfs/dbraw/zinc/16/15/95/1206161595.db2.gz	NRZMXERZIFSYKL-CMPLNLGQSA-N	2	2	340.370	2.006	10	10		EECELP
COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1	ZINC000850487824	1277245124	/nfs/dbraw/zinc/24/51/24/1277245124.db2.gz	PKLQIWFXIOLYNA-IEBWSBKVSA-N	2	2	345.487	2.117	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)cc2F)CC1	ZINC000756117882	577838679	/nfs/dbraw/zinc/83/86/79/577838679.db2.gz	BGAGEBWUEUVPNY-MAUKXSAKSA-N	3	2	334.483	2.007	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)cc2F)CC1	ZINC000756117882	577838680	/nfs/dbraw/zinc/83/86/80/577838680.db2.gz	BGAGEBWUEUVPNY-MAUKXSAKSA-N	3	2	334.483	2.007	10	10		EECELP
COc1c(O)c(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-]	ZINC000903959262	1331618663	/nfs/dbraw/zinc/61/86/63/1331618663.db2.gz	DDOKFPQUNITBIU-KRWDZBQOSA-N	2	2	335.404	2.275	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C	ZINC001320508553	1332899925	/nfs/dbraw/zinc/89/99/25/1332899925.db2.gz	BAUVQDKZXMRZNT-AEFFLSMTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C	ZINC001320508553	1332899928	/nfs/dbraw/zinc/89/99/28/1332899928.db2.gz	BAUVQDKZXMRZNT-AEFFLSMTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508553	1332899931	/nfs/dbraw/zinc/89/99/31/1332899931.db2.gz	BAUVQDKZXMRZNT-AEFFLSMTSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508553	1332899934	/nfs/dbraw/zinc/89/99/34/1332899934.db2.gz	BAUVQDKZXMRZNT-AEFFLSMTSA-N	3	2	348.510	2.492	10	10		EECELP
Oc1cccc(Cl)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000903980141	1242841394	/nfs/dbraw/zinc/84/13/94/1242841394.db2.gz	JQNRMCCFUFNJOI-GASCZTMLSA-N	2	2	335.879	2.446	10	10		EECELP
Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1	ZINC000903980141	1242841406	/nfs/dbraw/zinc/84/14/06/1242841406.db2.gz	JQNRMCCFUFNJOI-GASCZTMLSA-N	2	2	335.879	2.446	10	10		EECELP
CN(C)c1ccc(/C=C\C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000827699461	1248655769	/nfs/dbraw/zinc/65/57/69/1248655769.db2.gz	HQMQOSRRWPVZDF-HZQHCPKGSA-N	2	2	329.488	2.297	10	10		EECELP
CN(C)c1ccc(/C=C\C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000827699461	1248655782	/nfs/dbraw/zinc/65/57/82/1248655782.db2.gz	HQMQOSRRWPVZDF-HZQHCPKGSA-N	2	2	329.488	2.297	10	10		EECELP
C[NH+]1CCC(CNC(=O)Nc2ccc(N)cc2)([NH+]2CCCCC2)CC1	ZINC000841301049	1315524985	/nfs/dbraw/zinc/52/49/85/1315524985.db2.gz	YCCZSRPJKBUMAM-UHFFFAOYSA-N	2	2	345.491	2.341	10	10		EECELP
COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000925782109	775635964	/nfs/dbraw/zinc/63/59/64/775635964.db2.gz	KXOMYPKJUOCKLC-PWSUYJOCSA-N	2	2	328.359	2.074	10	10		EECELP
C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669172	577560590	/nfs/dbraw/zinc/56/05/90/577560590.db2.gz	DYEWMWOCIRTBPX-DYESRHJHSA-N	3	2	342.531	2.258	10	10		EECELP
C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669172	577560591	/nfs/dbraw/zinc/56/05/91/577560591.db2.gz	DYEWMWOCIRTBPX-DYESRHJHSA-N	3	2	342.531	2.258	10	10		EECELP
Cc1c(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cnn1C	ZINC001256253586	1318695877	/nfs/dbraw/zinc/69/58/77/1318695877.db2.gz	BOQXHQKUYKXPFY-UHFFFAOYSA-N	2	2	345.466	2.251	10	10		EECELP
Cc1c(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cnn1C	ZINC001256253586	1318695887	/nfs/dbraw/zinc/69/58/87/1318695887.db2.gz	BOQXHQKUYKXPFY-UHFFFAOYSA-N	2	2	345.466	2.251	10	10		EECELP
COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1	ZINC000925782105	775632226	/nfs/dbraw/zinc/63/22/26/775632226.db2.gz	KXOMYPKJUOCKLC-CMPLNLGQSA-N	2	2	328.359	2.074	10	10		EECELP
COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1	ZINC000925782107	775632711	/nfs/dbraw/zinc/63/27/11/775632711.db2.gz	KXOMYPKJUOCKLC-JQWIXIFHSA-N	2	2	328.359	2.074	10	10		EECELP
Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(O)c1	ZINC000757657817	577861998	/nfs/dbraw/zinc/86/19/98/577861998.db2.gz	QZIGTHWNGOGTNR-ZBFHGGJFSA-N	2	2	342.443	2.276	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3CC(F)F)cc2)CC1	ZINC000809713074	783329179	/nfs/dbraw/zinc/32/91/79/783329179.db2.gz	YKMTYSJLWWTLSW-QGZVFWFLSA-N	2	2	339.430	2.294	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3CC(F)F)cc2)CC1	ZINC000809713074	783329186	/nfs/dbraw/zinc/32/91/86/783329186.db2.gz	YKMTYSJLWWTLSW-QGZVFWFLSA-N	2	2	339.430	2.294	10	10		EECELP
COc1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O	ZINC000903971409	1242799935	/nfs/dbraw/zinc/79/99/35/1242799935.db2.gz	AWXLPNUUMNBOFG-AWEZNQCLSA-N	2	2	340.851	2.303	10	10		EECELP
C/C=C\C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(=O)OCC	ZINC000763360186	577719877	/nfs/dbraw/zinc/71/98/77/577719877.db2.gz	BASAZHWOIBCPFS-UTSMFGRCSA-N	2	2	345.487	2.426	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1C	ZINC001480547366	1100381049	/nfs/dbraw/zinc/38/10/49/1100381049.db2.gz	ZRUGCATWCDRQQC-HOTGVXAUSA-N	2	2	344.459	2.446	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1	ZINC000850344257	1277189177	/nfs/dbraw/zinc/18/91/77/1277189177.db2.gz	ZNOLDUJFRHMZPC-IBGZPJMESA-N	3	2	330.520	2.401	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C(C)(C)C)cc2)CC1	ZINC000850344257	1277189178	/nfs/dbraw/zinc/18/91/78/1277189178.db2.gz	ZNOLDUJFRHMZPC-IBGZPJMESA-N	3	2	330.520	2.401	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001275554986	1205409871	/nfs/dbraw/zinc/40/98/71/1205409871.db2.gz	ZTUCMGRPQJQHNW-UONOGXRCSA-N	2	2	344.459	2.261	10	10		EECELP
C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)cc(F)c1O	ZINC000925843868	1206159330	/nfs/dbraw/zinc/15/93/30/1206159330.db2.gz	HBVUGPXJOSSHSV-ZDUSSCGKSA-N	2	2	327.419	2.397	10	10		EECELP
COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1C	ZINC001319510058	1332713425	/nfs/dbraw/zinc/71/34/25/1332713425.db2.gz	IVADKGLSJFDCQC-INIZCTEOSA-N	2	2	344.459	2.227	10	10		EECELP
Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121230166	463101058	/nfs/dbraw/zinc/10/10/58/463101058.db2.gz	WRSDCAJPGZXZDB-UHFFFAOYSA-N	2	2	328.460	2.494	10	10		EECELP
Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121230166	463101060	/nfs/dbraw/zinc/10/10/60/463101060.db2.gz	WRSDCAJPGZXZDB-UHFFFAOYSA-N	2	2	328.460	2.494	10	10		EECELP
C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925630234	1206137700	/nfs/dbraw/zinc/13/77/00/1206137700.db2.gz	ONNSWTJPQIIIIL-UWJYYQICSA-N	3	2	342.531	2.449	10	10		EECELP
C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cc(F)c1O	ZINC000863542496	1296327526	/nfs/dbraw/zinc/32/75/26/1296327526.db2.gz	WBBQVWYVGLVJGC-VIFPVBQESA-N	2	2	347.228	2.452	10	10		EECELP
Cc1cc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1C(C)C	ZINC000844714464	789319059	/nfs/dbraw/zinc/31/90/59/789319059.db2.gz	NRSSMBLAQMYPLF-UHFFFAOYSA-N	2	2	333.476	2.030	10	10		EECELP
Cc1cc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1C(C)C	ZINC000844714464	789319068	/nfs/dbraw/zinc/31/90/68/789319068.db2.gz	NRSSMBLAQMYPLF-UHFFFAOYSA-N	2	2	333.476	2.030	10	10		EECELP
COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001497734661	1102985137	/nfs/dbraw/zinc/98/51/37/1102985137.db2.gz	PNXKISCCPRWNPP-PLNGDYQASA-N	2	2	342.443	2.040	10	10		EECELP
COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[N@H+](C)C3)CC2)cc1	ZINC000726707961	576290119	/nfs/dbraw/zinc/29/01/19/576290119.db2.gz	IHOWZNZDHFLJAS-MRXNPFEDSA-N	2	2	346.475	2.057	10	10		EECELP
COc1ccc([NH+]2CCC(NC(=O)N[C@@H]3CCC[N@@H+](C)C3)CC2)cc1	ZINC000726707961	576290124	/nfs/dbraw/zinc/29/01/24/576290124.db2.gz	IHOWZNZDHFLJAS-MRXNPFEDSA-N	2	2	346.475	2.057	10	10		EECELP
CCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1O	ZINC000092079300	237037736	/nfs/dbraw/zinc/03/77/36/237037736.db2.gz	CJHMTRMLRJZQOZ-OAHLLOKOSA-N	2	2	334.460	2.476	10	10		EECELP
CCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1O	ZINC000092079300	237037744	/nfs/dbraw/zinc/03/77/44/237037744.db2.gz	CJHMTRMLRJZQOZ-OAHLLOKOSA-N	2	2	334.460	2.476	10	10		EECELP
CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026702	465278502	/nfs/dbraw/zinc/27/85/02/465278502.db2.gz	BEBMEAXMDYAEFZ-QFBILLFUSA-N	2	2	346.519	2.031	10	10		EECELP
CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026702	465278507	/nfs/dbraw/zinc/27/85/07/465278507.db2.gz	BEBMEAXMDYAEFZ-QFBILLFUSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026702	465278513	/nfs/dbraw/zinc/27/85/13/465278513.db2.gz	BEBMEAXMDYAEFZ-QFBILLFUSA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@@H](C)C1	ZINC000298026702	465278520	/nfs/dbraw/zinc/27/85/20/465278520.db2.gz	BEBMEAXMDYAEFZ-QFBILLFUSA-N	2	2	346.519	2.031	10	10		EECELP
C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000756098101	577838416	/nfs/dbraw/zinc/83/84/16/577838416.db2.gz	FHRKEVKKWUXWPM-ATNYBXOESA-N	2	2	335.467	2.479	10	10		EECELP
C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1	ZINC000756098101	577838417	/nfs/dbraw/zinc/83/84/17/577838417.db2.gz	FHRKEVKKWUXWPM-ATNYBXOESA-N	2	2	335.467	2.479	10	10		EECELP
CCOCc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC	ZINC000903974561	1242813020	/nfs/dbraw/zinc/81/30/20/1242813020.db2.gz	QOFGSRHEBYUKGP-GOSISDBHSA-N	2	2	348.487	2.480	10	10		EECELP
COc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1	ZINC000850487825	1277244577	/nfs/dbraw/zinc/24/45/77/1277244577.db2.gz	PKLQIWFXIOLYNA-MJGOQNOKSA-N	2	2	345.487	2.117	10	10		EECELP
C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000756098106	577838361	/nfs/dbraw/zinc/83/83/61/577838361.db2.gz	FHRKEVKKWUXWPM-OIPACUDHSA-N	2	2	335.467	2.479	10	10		EECELP
C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000756098106	577838362	/nfs/dbraw/zinc/83/83/62/577838362.db2.gz	FHRKEVKKWUXWPM-OIPACUDHSA-N	2	2	335.467	2.479	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)CC2)cc1	ZINC000924579547	1205999179	/nfs/dbraw/zinc/99/91/79/1205999179.db2.gz	KUOQGRVEQZLUGM-SQGPQFPESA-N	2	2	347.503	2.220	10	10		EECELP
C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(F)cc(F)c1O	ZINC000925856405	1206161605	/nfs/dbraw/zinc/16/16/05/1206161605.db2.gz	NRZMXERZIFSYKL-PWSUYJOCSA-N	2	2	340.370	2.006	10	10		EECELP
Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1	ZINC000757656930	577861883	/nfs/dbraw/zinc/86/18/83/577861883.db2.gz	PPMANOJFNXDIDZ-GDBMZVCRSA-N	2	2	342.443	2.276	10	10		EECELP
CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1	ZINC000278229523	463957688	/nfs/dbraw/zinc/95/76/88/463957688.db2.gz	MOGSSKGQTPZUMS-TZMCWYRMSA-N	2	2	337.420	2.471	10	10		EECELP
CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)[C@H](C)C1	ZINC000278229523	463957693	/nfs/dbraw/zinc/95/76/93/463957693.db2.gz	MOGSSKGQTPZUMS-TZMCWYRMSA-N	2	2	337.420	2.471	10	10		EECELP
Cc1cc(C)n2c(C[NH2+]C[C@@H]([NH3+])c3ccc(N(C)C)cc3)cnc2n1	ZINC000841045678	1315462201	/nfs/dbraw/zinc/46/22/01/1315462201.db2.gz	OCENDMVFPBREEA-GOSISDBHSA-N	2	2	338.459	2.202	10	10		EECELP
Cc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1N(C)C	ZINC000294775540	464601078	/nfs/dbraw/zinc/60/10/78/464601078.db2.gz	ZNYXFXIDZOKYQI-UHFFFAOYSA-N	2	2	325.460	2.482	10	10		EECELP
CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000862535300	1295870738	/nfs/dbraw/zinc/87/07/38/1295870738.db2.gz	IGOHXNVBXSUSIO-UHFFFAOYSA-N	2	2	334.460	2.478	10	10		EECELP
COc1ccc(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCC2)cc1C	ZINC001673221688	1356655545	/nfs/dbraw/zinc/65/55/45/1356655545.db2.gz	DAMYUFRLQPUXBI-UHFFFAOYSA-N	2	2	342.443	2.098	10	10		EECELP
COc1c(O)c(C[NH2+]CCc2cn3ccccc3[nH+]2)ccc1[N+](=O)[O-]	ZINC000775052154	577427855	/nfs/dbraw/zinc/42/78/55/577427855.db2.gz	TZHMJWPAKXSOSJ-UHFFFAOYSA-N	2	2	342.355	2.289	10	10		EECELP
Fc1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1N1CCOCC1	ZINC000810171596	1199310217	/nfs/dbraw/zinc/31/02/17/1199310217.db2.gz	MCYVUESZQLNDFE-CQSZACIVSA-N	2	2	330.407	2.033	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1C	ZINC001480547368	1100381683	/nfs/dbraw/zinc/38/16/83/1100381683.db2.gz	ZRUGCATWCDRQQC-JKSUJKDBSA-N	2	2	344.459	2.446	10	10		EECELP
COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCn2cc[nH+]c2)cc1C	ZINC001319510059	1332713649	/nfs/dbraw/zinc/71/36/49/1332713649.db2.gz	IVADKGLSJFDCQC-MRXNPFEDSA-N	2	2	344.459	2.227	10	10		EECELP
CN(C)c1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1	ZINC001320260356	1332853358	/nfs/dbraw/zinc/85/33/58/1332853358.db2.gz	YFVLCZCPZKINTA-UHFFFAOYSA-N	2	2	344.438	2.046	10	10		EECELP
C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925630232	1206137622	/nfs/dbraw/zinc/13/76/22/1206137622.db2.gz	ONNSWTJPQIIIIL-LAUBAEHRSA-N	3	2	342.531	2.449	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C(C)(C)C)cc2)CC1	ZINC000850344258	1277188507	/nfs/dbraw/zinc/18/85/07/1277188507.db2.gz	ZNOLDUJFRHMZPC-LJQANCHMSA-N	3	2	330.520	2.401	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C(C)(C)C)cc2)CC1	ZINC000850344258	1277188516	/nfs/dbraw/zinc/18/85/16/1277188516.db2.gz	ZNOLDUJFRHMZPC-LJQANCHMSA-N	3	2	330.520	2.401	10	10		EECELP
COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)cc1C	ZINC001265489460	1323180635	/nfs/dbraw/zinc/18/06/35/1323180635.db2.gz	HIZMYNISQLIPEA-QAQDUYKDSA-N	2	2	342.443	2.027	10	10		EECELP
COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001275554987	1205409849	/nfs/dbraw/zinc/40/98/49/1205409849.db2.gz	ZTUCMGRPQJQHNW-ZIAGYGMSSA-N	2	2	344.459	2.261	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)CCNC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001281763428	1325441622	/nfs/dbraw/zinc/44/16/22/1325441622.db2.gz	CCBHAEOMXBRXLO-AWEZNQCLSA-N	2	2	344.459	2.262	10	10		EECELP
COc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c(O)cc1C	ZINC000530106135	467950999	/nfs/dbraw/zinc/95/09/99/467950999.db2.gz	VIRILSVEDJMZEA-UHFFFAOYSA-N	2	2	334.460	2.396	10	10		EECELP
COc1ccc(N2CC[NH+](CCC[NH2+][C@@H](C)C(C)(C)CO)CC2)cc1	ZINC000924578868	681974147	/nfs/dbraw/zinc/97/41/47/681974147.db2.gz	CYDLWCZKPCDBJK-KRWDZBQOSA-N	2	2	349.519	2.204	10	10		EECELP
C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cc(F)ccc1O	ZINC000757655799	577861936	/nfs/dbraw/zinc/86/19/36/577861936.db2.gz	LBOCACOYLKVTTQ-DOMZBBRYSA-N	2	2	346.406	2.107	10	10		EECELP
C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925630231	1206137649	/nfs/dbraw/zinc/13/76/49/1206137649.db2.gz	ONNSWTJPQIIIIL-DYESRHJHSA-N	3	2	342.531	2.449	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1O	ZINC000863485050	1296301987	/nfs/dbraw/zinc/30/19/87/1296301987.db2.gz	SIOWBBDIRSHBSO-JOYOIKCWSA-N	2	2	329.238	2.393	10	10		EECELP
C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)c(F)cc1O)CCO2	ZINC000843431560	788981851	/nfs/dbraw/zinc/98/18/51/788981851.db2.gz	HUHHISQHTDVTPH-UHFFFAOYSA-N	2	2	328.815	2.481	10	10		EECELP
C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)c(F)cc1O)CCO2	ZINC000843431560	788981856	/nfs/dbraw/zinc/98/18/56/788981856.db2.gz	HUHHISQHTDVTPH-UHFFFAOYSA-N	2	2	328.815	2.481	10	10		EECELP
CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1	ZINC000295323511	464789784	/nfs/dbraw/zinc/78/97/84/464789784.db2.gz	LMFYMTHNBCVLSP-AWEZNQCLSA-N	2	2	341.858	2.397	10	10		EECELP
CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)CC1	ZINC000295323511	464789790	/nfs/dbraw/zinc/78/97/90/464789790.db2.gz	LMFYMTHNBCVLSP-AWEZNQCLSA-N	2	2	341.858	2.397	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C	ZINC000177056983	464918998	/nfs/dbraw/zinc/91/89/98/464918998.db2.gz	PZOQSSPRSCGHFS-QFBILLFUSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C	ZINC000177056983	464919002	/nfs/dbraw/zinc/91/90/02/464919002.db2.gz	PZOQSSPRSCGHFS-QFBILLFUSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056983	464919006	/nfs/dbraw/zinc/91/90/06/464919006.db2.gz	PZOQSSPRSCGHFS-QFBILLFUSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177056983	464919010	/nfs/dbraw/zinc/91/90/10/464919010.db2.gz	PZOQSSPRSCGHFS-QFBILLFUSA-N	2	2	346.519	2.126	10	10		EECELP
OCC1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCC4)cc2)CC1	ZINC000925502995	1206120463	/nfs/dbraw/zinc/12/04/63/1206120463.db2.gz	MNMOWJXVXRAVPT-IBGZPJMESA-N	2	2	329.488	2.270	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1	ZINC001329433115	1334649916	/nfs/dbraw/zinc/64/99/16/1334649916.db2.gz	LMZCSZVKIVAOKB-HXUWFJFHSA-N	3	2	346.494	2.153	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2F)CC1	ZINC001329433115	1334649920	/nfs/dbraw/zinc/64/99/20/1334649920.db2.gz	LMZCSZVKIVAOKB-HXUWFJFHSA-N	3	2	346.494	2.153	10	10		EECELP
COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1C	ZINC001275554984	1205409863	/nfs/dbraw/zinc/40/98/63/1205409863.db2.gz	ZTUCMGRPQJQHNW-KBPBESRZSA-N	2	2	344.459	2.261	10	10		EECELP
C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000925630233	1206137675	/nfs/dbraw/zinc/13/76/75/1206137675.db2.gz	ONNSWTJPQIIIIL-UTKZUKDTSA-N	3	2	342.531	2.449	10	10		EECELP
CCOCc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC	ZINC000903974562	1242813164	/nfs/dbraw/zinc/81/31/64/1242813164.db2.gz	QOFGSRHEBYUKGP-SFHVURJKSA-N	2	2	348.487	2.480	10	10		EECELP
CCO[C@@H]1C[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@H]1C[NH3+]	ZINC000844904025	789445088	/nfs/dbraw/zinc/44/50/88/789445088.db2.gz	WRISOCASVVGBOG-TZMCWYRMSA-N	2	2	343.265	2.259	10	10		EECELP
CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026691	465277760	/nfs/dbraw/zinc/27/77/60/465277760.db2.gz	BEBMEAXMDYAEFZ-APWZRJJASA-N	2	2	346.519	2.031	10	10		EECELP
CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026691	465277767	/nfs/dbraw/zinc/27/77/67/465277767.db2.gz	BEBMEAXMDYAEFZ-APWZRJJASA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026691	465277772	/nfs/dbraw/zinc/27/77/72/465277772.db2.gz	BEBMEAXMDYAEFZ-APWZRJJASA-N	2	2	346.519	2.031	10	10		EECELP
CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)[C@H](C)C1	ZINC000298026691	465277777	/nfs/dbraw/zinc/27/77/77/465277777.db2.gz	BEBMEAXMDYAEFZ-APWZRJJASA-N	2	2	346.519	2.031	10	10		EECELP
C[C@H]([NH2+]CCOCCC[NH3+])c1cc(Br)cc(F)c1O	ZINC000863544748	690718705	/nfs/dbraw/zinc/71/87/05/690718705.db2.gz	ABNZTUBSDZESKJ-VIFPVBQESA-N	2	2	335.217	2.310	10	10		EECELP
COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1	ZINC000817940914	785086650	/nfs/dbraw/zinc/08/66/50/785086650.db2.gz	PDIHQGNEKLUSTI-AWEZNQCLSA-N	2	2	343.427	2.404	10	10		EECELP
COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCCC3(C)C)CC2)cc1	ZINC000754028767	577798894	/nfs/dbraw/zinc/79/88/94/577798894.db2.gz	AQDFURORQNKYSH-SFHVURJKSA-N	2	2	347.503	2.053	10	10		EECELP
COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCCC3(C)C)CC2)cc1	ZINC000754028767	577798895	/nfs/dbraw/zinc/79/88/95/577798895.db2.gz	AQDFURORQNKYSH-SFHVURJKSA-N	2	2	347.503	2.053	10	10		EECELP
C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1O	ZINC000757658131	577861987	/nfs/dbraw/zinc/86/19/87/577861987.db2.gz	VAIHZKNQPNODPL-WFASDCNBSA-N	2	2	346.406	2.107	10	10		EECELP
Cc1cc(O)c(C[NH2+]CCCCN2CC[NH+](C)CC2)c(Cl)c1	ZINC000840875930	679499749	/nfs/dbraw/zinc/49/97/49/679499749.db2.gz	KZZMNRBKMOMUTO-UHFFFAOYSA-N	2	2	325.884	2.471	10	10		EECELP
C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)cc2)CC1	ZINC000843129104	1315849645	/nfs/dbraw/zinc/84/96/45/1315849645.db2.gz	REMGJTQYYNNLAT-IBGZPJMESA-N	3	2	328.504	2.203	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1	ZINC001328019603	1334379978	/nfs/dbraw/zinc/37/99/78/1334379978.db2.gz	PRPLTIJXEHPAIC-SFHVURJKSA-N	2	2	339.430	2.294	10	10		EECELP
C[NH+]1CCN(c2ccc(C[N@H+]3CCO[C@](C)(C(F)F)C3)cc2)CC1	ZINC001328019603	1334379980	/nfs/dbraw/zinc/37/99/80/1334379980.db2.gz	PRPLTIJXEHPAIC-SFHVURJKSA-N	2	2	339.430	2.294	10	10		EECELP
C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817915909	785067389	/nfs/dbraw/zinc/06/73/89/785067389.db2.gz	BIJWAKXZHUKSFG-DYESRHJHSA-N	3	2	342.531	2.306	10	10		EECELP
CC[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccc(OC)cc3)CC2)CO1	ZINC000850013623	1276991882	/nfs/dbraw/zinc/99/18/82/1276991882.db2.gz	KIIWNEFZIAZOSD-PKOBYXMFSA-N	2	2	347.503	2.364	10	10		EECELP
COc1c(O)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-]	ZINC000375716386	466870170	/nfs/dbraw/zinc/87/01/70/466870170.db2.gz	BGFNQVZLVOVIBH-UHFFFAOYSA-N	2	2	332.360	2.412	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+]1C	ZINC000775717898	577443635	/nfs/dbraw/zinc/44/36/35/577443635.db2.gz	UGWHBBMBZTUQDE-XLIONFOSSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+]1C	ZINC000775717898	577443636	/nfs/dbraw/zinc/44/36/36/577443636.db2.gz	UGWHBBMBZTUQDE-XLIONFOSSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717898	577443637	/nfs/dbraw/zinc/44/36/37/577443637.db2.gz	UGWHBBMBZTUQDE-XLIONFOSSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH+]1C	ZINC000775717898	577443638	/nfs/dbraw/zinc/44/36/38/577443638.db2.gz	UGWHBBMBZTUQDE-XLIONFOSSA-N	3	2	330.520	2.353	10	10		EECELP
C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669175	577560577	/nfs/dbraw/zinc/56/05/77/577560577.db2.gz	DYEWMWOCIRTBPX-UWJYYQICSA-N	3	2	342.531	2.258	10	10		EECELP
C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000768669175	577560578	/nfs/dbraw/zinc/56/05/78/577560578.db2.gz	DYEWMWOCIRTBPX-UWJYYQICSA-N	3	2	342.531	2.258	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)cc2F)CC1	ZINC000756117887	577838703	/nfs/dbraw/zinc/83/87/03/577838703.db2.gz	BGAGEBWUEUVPNY-YJBOKZPZSA-N	3	2	334.483	2.007	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)cc2F)CC1	ZINC000756117887	577838704	/nfs/dbraw/zinc/83/87/04/577838704.db2.gz	BGAGEBWUEUVPNY-YJBOKZPZSA-N	3	2	334.483	2.007	10	10		EECELP
COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043959	1315827227	/nfs/dbraw/zinc/82/72/27/1315827227.db2.gz	DUIBYEOZHBQNBB-JSGCOSHPSA-N	2	2	335.404	2.273	10	10		EECELP
COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-]	ZINC000843043959	1315827228	/nfs/dbraw/zinc/82/72/28/1315827228.db2.gz	DUIBYEOZHBQNBB-JSGCOSHPSA-N	2	2	335.404	2.273	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@@H+]1C	ZINC000177057007	464919508	/nfs/dbraw/zinc/91/95/08/464919508.db2.gz	PZOQSSPRSCGHFS-LPHOPBHVSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[N@H+]1C	ZINC000177057007	464919512	/nfs/dbraw/zinc/91/95/12/464919512.db2.gz	PZOQSSPRSCGHFS-LPHOPBHVSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177057007	464919518	/nfs/dbraw/zinc/91/95/18/464919518.db2.gz	PZOQSSPRSCGHFS-LPHOPBHVSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC[NH+]1C	ZINC000177057007	464919523	/nfs/dbraw/zinc/91/95/23/464919523.db2.gz	PZOQSSPRSCGHFS-LPHOPBHVSA-N	2	2	346.519	2.126	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C	ZINC001320508554	1332900040	/nfs/dbraw/zinc/90/00/40/1332900040.db2.gz	BAUVQDKZXMRZNT-FUHWJXTLSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@H]([NH+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C	ZINC001320508554	1332900042	/nfs/dbraw/zinc/90/00/42/1332900042.db2.gz	BAUVQDKZXMRZNT-FUHWJXTLSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508554	1332900044	/nfs/dbraw/zinc/90/00/44/1332900044.db2.gz	BAUVQDKZXMRZNT-FUHWJXTLSA-N	3	2	348.510	2.492	10	10		EECELP
C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH+]1C	ZINC001320508554	1332900045	/nfs/dbraw/zinc/90/00/45/1332900045.db2.gz	BAUVQDKZXMRZNT-FUHWJXTLSA-N	3	2	348.510	2.492	10	10		EECELP
COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1	ZINC000163364758	463583269	/nfs/dbraw/zinc/58/32/69/463583269.db2.gz	OYHRWNAEKLBPQL-IBGZPJMESA-N	2	2	347.503	2.364	10	10		EECELP
COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(OC)cc2)CC1	ZINC000163364758	463583271	/nfs/dbraw/zinc/58/32/71/463583271.db2.gz	OYHRWNAEKLBPQL-IBGZPJMESA-N	2	2	347.503	2.364	10	10		EECELP
C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000756098108	577838397	/nfs/dbraw/zinc/83/83/97/577838397.db2.gz	FHRKEVKKWUXWPM-ZXFNITATSA-N	2	2	335.467	2.479	10	10		EECELP
C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1	ZINC000756098108	577838398	/nfs/dbraw/zinc/83/83/98/577838398.db2.gz	FHRKEVKKWUXWPM-ZXFNITATSA-N	2	2	335.467	2.479	10	10		EECELP
Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1	ZINC000840889383	682706306	/nfs/dbraw/zinc/70/63/06/682706306.db2.gz	FZLPJJXXLKXDPB-ZDUSSCGKSA-N	2	2	339.867	2.031	10	10		EECELP
Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)c1	ZINC000840889383	682706309	/nfs/dbraw/zinc/70/63/09/682706309.db2.gz	FZLPJJXXLKXDPB-ZDUSSCGKSA-N	2	2	339.867	2.031	10	10		EECELP
COc1cc(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)c1O	ZINC000853245937	1292339940	/nfs/dbraw/zinc/33/99/40/1292339940.db2.gz	DIUOMEORKFZYTN-UHFFFAOYSA-N	2	2	327.222	2.005	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1O	ZINC000841059276	1315465344	/nfs/dbraw/zinc/46/53/44/1315465344.db2.gz	OZEYZLJSSGAVAF-SKDRFNHKSA-N	2	2	329.238	2.251	10	10		EECELP
COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1O	ZINC000841090338	1315473242	/nfs/dbraw/zinc/47/32/42/1315473242.db2.gz	OEFIBDWAMBWVGM-GFCCVEGCSA-N	2	2	329.238	2.395	10	10		EECELP
C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1	ZINC000817915916	785069070	/nfs/dbraw/zinc/06/90/70/785069070.db2.gz	BIJWAKXZHUKSFG-LAUBAEHRSA-N	3	2	342.531	2.306	10	10		EECELP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)cc2F)CC1	ZINC000925561109	1206128360	/nfs/dbraw/zinc/12/83/60/1206128360.db2.gz	YQOKRZOIMQYQFC-RBUKOAKNSA-N	3	2	346.494	2.327	10	10		EECELP