smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1cc(C[N@H+](C)CC(C)(C)C)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759905	343374563	/nfs/dbraw/zinc/37/45/63/343374563.db2.gz	HRVWKINMYXARQC-CYBMUJFWSA-N	2	0	291.443	2.421	40	0		CEABRP
Cc1cc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)oc1C	ZINC000096184321	344238940	/nfs/dbraw/zinc/23/89/40/344238940.db2.gz	ZLYZXPRVYQGAES-SJORKVTESA-N	2	0	291.439	2.107	40	0		CEABRP
CC(C)N(CC[NH3+])C[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079393610	363593449	/nfs/dbraw/zinc/59/34/49/363593449.db2.gz	SAWPHPUERYZSGJ-QGZVFWFLSA-N	2	0	275.440	2.178	40	0		CEABRP
[NH3+]CCN(C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079393634	363594393	/nfs/dbraw/zinc/59/43/93/363594393.db2.gz	HAKFPHGKIMXNGL-KRWDZBQOSA-N	2	0	273.424	2.074	40	0		CEABRP
[NH3+]CCN1CCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079414716	363597572	/nfs/dbraw/zinc/59/75/72/363597572.db2.gz	INURNTJCCXSPAP-QGZVFWFLSA-N	2	0	273.424	2.074	40	0		CEABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](C)C1	ZINC000260559664	371636957	/nfs/dbraw/zinc/63/69/57/371636957.db2.gz	HHRJHJBCZLZZHN-JKSUJKDBSA-N	2	0	295.471	2.099	40	0		CEABRP
C[N@H+](Cc1cccs1)[C@@H]1COC2(C1)CC[NH2+]CC2	ZINC000306127164	376541562	/nfs/dbraw/zinc/54/15/62/376541562.db2.gz	FQEXPJCMXSFAKG-LBPRGKRZSA-N	2	0	266.410	2.091	40	0		CEABRP
CC[NH+]1CCN(c2ccc([C@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072225555	394595565	/nfs/dbraw/zinc/59/55/65/394595565.db2.gz	VZCUPVFRCXWNGG-GOSISDBHSA-N	2	0	296.418	2.272	40	0		CEABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C[NH+](C)C)OC[C@@H]3C2)s1	ZINC000096057582	185078189	/nfs/dbraw/zinc/07/81/89/185078189.db2.gz	OLPSVGWCRZSDNB-BPUTZDHNSA-N	2	0	294.464	2.455	40	0		CEABRP
C[NH+](C)C[C@@H]1CCC[C@H](C[NH+]2CCCCC2)C1=O	ZINC000001670783	282119395	/nfs/dbraw/zinc/11/93/95/282119395.db2.gz	FIDWOYJZBJLWKW-UONOGXRCSA-N	2	0	252.402	2.019	40	0		CEABRP
CNc1cc(C[N@H+](C)CC(C)(C)C)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759902	343374481	/nfs/dbraw/zinc/37/44/81/343374481.db2.gz	HRVWKINMYXARQC-ZDUSSCGKSA-N	2	0	291.443	2.421	40	0		CEABRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216301	394593388	/nfs/dbraw/zinc/59/33/88/394593388.db2.gz	KOWODQVRDHJNID-INIZCTEOSA-N	2	0	288.439	2.428	40	0		CEABRP
CC[NH+]1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072225556	394595548	/nfs/dbraw/zinc/59/55/48/394595548.db2.gz	VZCUPVFRCXWNGG-SFHVURJKSA-N	2	0	296.418	2.272	40	0		CEABRP
[NH3+]CCN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079393643	363594425	/nfs/dbraw/zinc/59/44/25/363594425.db2.gz	OTRYZBPMBSSDQZ-GOSISDBHSA-N	2	0	287.451	2.464	40	0		CEABRP
c1coc(C[N@@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)c1	ZINC000096206799	364410192	/nfs/dbraw/zinc/41/01/92/364410192.db2.gz	GMGLZJRYAMFBOY-DOTOQJQBSA-N	2	0	290.407	2.499	40	0		CEABRP
CC(C)C[N@@H+]1CCc2c(C[NH+](C)C(C)C)[nH]nc2C1	ZINC000096255854	364419036	/nfs/dbraw/zinc/41/90/36/364419036.db2.gz	ZEIQSJXDYSJUKQ-UHFFFAOYSA-N	2	0	264.417	2.264	40	0		CEABRP
CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216348	394593542	/nfs/dbraw/zinc/59/35/42/394593542.db2.gz	RFFDVMJXDRNCIN-INIZCTEOSA-N	2	0	288.439	2.428	40	0		CEABRP
C[NH+](C)C[C@@H]1CCC[C@@H](C[NH+]2CCCCC2)C1=O	ZINC000001670781	282119341	/nfs/dbraw/zinc/11/93/41/282119341.db2.gz	FIDWOYJZBJLWKW-KBPBESRZSA-N	2	0	252.402	2.019	40	0		CEABRP
CC[NH+](CC)CCCOc1cc(C[NH3+])ccc1OC	ZINC000064864550	362797460	/nfs/dbraw/zinc/79/74/60/362797460.db2.gz	ZUNFEJIJFGNCKP-UHFFFAOYSA-N	2	0	266.385	2.265	40	0		CEABRP
O=C1[C@@H](C[NH+]2CCCC2)CCC[C@@H]1C[NH+]1CCCC1	ZINC000001640637	361213594	/nfs/dbraw/zinc/21/35/94/361213594.db2.gz	MWRINUZNYDPFBG-HUUCEWRRSA-N	2	0	264.413	2.163	40	0		CEABRP
CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)o1	ZINC000306144515	376542488	/nfs/dbraw/zinc/54/24/88/376542488.db2.gz	ZHKNFAFYHDIQJB-IAGOWNOFSA-N	2	0	291.439	2.052	40	0		CEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1	ZINC000242547641	285116492	/nfs/dbraw/zinc/11/64/92/285116492.db2.gz	KPAXXWCZCDXQIN-QAQDUYKDSA-N	2	0	276.424	2.402	40	0		CEABRP
CC[NH+](CC)[C@]1([C@@H](C[NH3+])CO)C[C@H]2CC[C@]1(C)C2(C)C	ZINC000072210466	394592420	/nfs/dbraw/zinc/59/24/20/394592420.db2.gz	MYMMFPISRPMSER-WTTBNOFXSA-N	2	0	282.472	2.480	40	0		CEABRP
CC[C@@H]([NH3+])c1ccc(N2CC[NH+](C(C)C)CC2)nc1C	ZINC000072224759	394594485	/nfs/dbraw/zinc/59/44/85/394594485.db2.gz	QIUJDELZTFYNEB-OAHLLOKOSA-N	2	0	276.428	2.330	40	0		CEABRP
c1cc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)co1	ZINC000096047942	185072969	/nfs/dbraw/zinc/07/29/69/185072969.db2.gz	COYTVOBLSUOMBJ-INIZCTEOSA-N	2	0	290.407	2.499	40	0		CEABRP
C[NH+](C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3cccs3)C[C@@H]21	ZINC000096056226	185077263	/nfs/dbraw/zinc/07/72/63/185077263.db2.gz	KVCTUCLPDGLWPR-AEGPPILISA-N	2	0	280.437	2.147	40	0		CEABRP
COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1	ZINC000096071776	185086423	/nfs/dbraw/zinc/08/64/23/185086423.db2.gz	GKQZVNLCIDWJPX-UHFFFAOYSA-N	2	0	289.423	2.398	40	0		CEABRP
CCN(CC[NH3+])C[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393598	363593720	/nfs/dbraw/zinc/59/37/20/363593720.db2.gz	HTCUQFSULPUSQU-KRWDZBQOSA-N	2	0	275.440	2.179	40	0		CEABRP
CCOc1cc(C[NH+]2CCC(CC[NH3+])CC2)ccc1O	ZINC000015423993	361472296	/nfs/dbraw/zinc/47/22/96/361472296.db2.gz	YQSJNCOFIDOWTB-UHFFFAOYSA-N	2	0	278.396	2.352	40	0		CEABRP
CCCC[C@H](C)[NH2+]CCCNCC[NH+](CC)CC	ZINC000019369652	361529161	/nfs/dbraw/zinc/52/91/61/361529161.db2.gz	BUZMAIJIVPHCSH-HNNXBMFYSA-N	2	0	257.466	2.476	40	0		CEABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccco1)CC2	ZINC000585102669	367177269	/nfs/dbraw/zinc/17/72/69/367177269.db2.gz	AMEZKKQMADBCRQ-AWEZNQCLSA-N	2	0	278.396	2.070	40	0		CEABRP
CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1	ZINC000100178191	285116500	/nfs/dbraw/zinc/11/65/00/285116500.db2.gz	KPAXXWCZCDXQIN-CALCHBBNSA-N	2	0	276.424	2.402	40	0		CEABRP
CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216303	394593146	/nfs/dbraw/zinc/59/31/46/394593146.db2.gz	ADRUWRXIQFZWHP-INIZCTEOSA-N	2	0	288.439	2.427	40	0		CEABRP
CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccco3)C[C@@H]2O1	ZINC000096056657	394676039	/nfs/dbraw/zinc/67/60/39/394676039.db2.gz	SIBHYXQXPRBGCI-BMFZPTHFSA-N	2	0	278.396	2.209	40	0		CEABRP
OCC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000079393557	363594438	/nfs/dbraw/zinc/59/44/38/363594438.db2.gz	VZLSRAIEMKZPHO-UHFFFAOYSA-N	2	0	288.435	2.355	40	0		CEABRP
COc1ccc2c(c1)C1(C[C@H]2[NH+](C)C)CC[NH2+]CC1	ZINC000084799960	363823507	/nfs/dbraw/zinc/82/35/07/363823507.db2.gz	AMINWNLVIRDPEU-OAHLLOKOSA-N	2	0	260.381	2.323	40	0		CEABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1sccc1C)C2	ZINC000096219841	364413292	/nfs/dbraw/zinc/41/32/92/364413292.db2.gz	JCWZMNMZPIKEIM-GDBMZVCRSA-N	2	0	294.464	2.457	40	0		CEABRP
Cc1ccc2c(c1)[C@H]([NH+](C)C)CC21CC[NH+](CCO)CC1	ZINC000096241775	364416362	/nfs/dbraw/zinc/41/63/62/364416362.db2.gz	ARCFLLWYDGHUMS-QGZVFWFLSA-N	2	0	288.435	2.327	40	0		CEABRP
[NH3+]C1(Cc2ccccc2C(F)(F)F)CC[NH2+]CC1	ZINC000098213861	364537936	/nfs/dbraw/zinc/53/79/36/364537936.db2.gz	QUSUTJZZBDVSOH-UHFFFAOYSA-N	2	0	258.287	2.329	40	0		CEABRP
CCO[C@H]([C@@H](OCC)[n+]1ccccc1)[n+]1ccccc1	ZINC000001628331	361212142	/nfs/dbraw/zinc/21/21/42/361212142.db2.gz	ASRGSKYULBGXPH-HZPDHXFCSA-N	2	0	274.364	2.032	40	0		CEABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccco1)CC2	ZINC000585102674	367178957	/nfs/dbraw/zinc/17/89/57/367178957.db2.gz	AMEZKKQMADBCRQ-CQSZACIVSA-N	2	0	278.396	2.070	40	0		CEABRP
C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21	ZINC000096249000	256834416	/nfs/dbraw/zinc/83/44/16/256834416.db2.gz	JZDYGJKRBMXZKM-GVDBMIGSSA-N	2	0	273.424	2.491	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216522	394593730	/nfs/dbraw/zinc/59/37/30/394593730.db2.gz	DBJFHLGKXOWNFC-INIZCTEOSA-N	2	0	288.439	2.379	40	0		CEABRP
c1coc(C[NH+]2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]3C2)c1	ZINC000096054128	185076163	/nfs/dbraw/zinc/07/61/63/185076163.db2.gz	NZWQMPOAODMOMW-CABCVRRESA-N	2	0	260.381	2.443	40	0		CEABRP
C[C@H](C[NH2+]CC(C)(C)C[NH+](C)C)C(=O)OC(C)(C)C	ZINC000047219145	362202038	/nfs/dbraw/zinc/20/20/38/362202038.db2.gz	BFPUNVDZQBNHES-GFCCVEGCSA-N	2	0	272.433	2.142	40	0		CEABRP
CC[NH+](CC)[C@]1([C@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000225467525	344545836	/nfs/dbraw/zinc/54/58/36/344545836.db2.gz	MYMMFPISRPMSER-FSDCSDTHSA-N	2	0	282.472	2.480	40	0		CEABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C)CC2	ZINC000585103824	345005631	/nfs/dbraw/zinc/00/56/31/345005631.db2.gz	RUTODROLPLTOAR-AWEZNQCLSA-N	2	0	278.396	2.070	40	0		CEABRP
NC(=[NH2+])c1ccc(Oc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000001444905	283262228	/nfs/dbraw/zinc/26/22/28/283262228.db2.gz	DMABBVCVVXMJDH-UHFFFAOYSA-N	2	0	254.293	2.047	40	0		CEABRP
CC[N@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1	ZINC000079393601	363594134	/nfs/dbraw/zinc/59/41/34/363594134.db2.gz	GMMNPZIXHZWVKN-UHFFFAOYSA-N	2	0	275.440	2.179	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCCC[C@H]1[NH+](C)C	ZINC000079407693	363595904	/nfs/dbraw/zinc/59/59/04/363595904.db2.gz	RRVXFWJLEDKVRH-KFWWJZLASA-N	2	0	283.460	2.080	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1	ZINC000079414623	363597555	/nfs/dbraw/zinc/59/75/55/363597555.db2.gz	ZPRVFPIJDMMUSH-UHFFFAOYSA-N	2	0	275.440	2.179	40	0		CEABRP
Cc1ccc2c(c1)C1(C[C@@H]2[NH+]2CCOCC2)CC[NH2+]CC1	ZINC000096241751	364417096	/nfs/dbraw/zinc/41/70/96/364417096.db2.gz	OICVZJXFMFNBDD-KRWDZBQOSA-N	2	0	286.419	2.393	40	0		CEABRP
Cc1cc(N2CC[NH+](C)CC2)ncc1[C@@H]([NH3+])c1ccccc1	ZINC000072223612	394594308	/nfs/dbraw/zinc/59/43/08/394594308.db2.gz	DTVAIGHJYZXREG-SFHVURJKSA-N	2	0	296.418	2.190	40	0		CEABRP
O=C(C[NH2+]C1CC1)Nc1ccc(C[NH+]2CCCCC2)cc1	ZINC000035314110	172122904	/nfs/dbraw/zinc/12/29/04/172122904.db2.gz	KARNJDUYRDWAFI-UHFFFAOYSA-N	2	0	287.407	2.363	40	0		CEABRP
Cc1ccc2c(c1)[C@@H]([NH+]1CCOCC1)CC21CC[NH2+]CC1	ZINC000096079410	185091182	/nfs/dbraw/zinc/09/11/82/185091182.db2.gz	HBOOFELTRHJXPO-KRWDZBQOSA-N	2	0	286.419	2.393	40	0		CEABRP
CC[N@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1	ZINC000079393521	363594160	/nfs/dbraw/zinc/59/41/60/363594160.db2.gz	ZVSZHLVJFNUOCP-UHFFFAOYSA-N	2	0	276.424	2.213	40	0		CEABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCN(CC[NH3+])C1	ZINC000079414662	363597579	/nfs/dbraw/zinc/59/75/79/363597579.db2.gz	PDZUPCVZVJKDPZ-KRWDZBQOSA-N	2	0	275.440	2.320	40	0		CEABRP
[NH3+]CCN1CCC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079414766	363597699	/nfs/dbraw/zinc/59/76/99/363597699.db2.gz	PJWRPWALOYQVRU-KRWDZBQOSA-N	2	0	287.451	2.322	40	0		CEABRP
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)CC[NH+]1CCCCC1)C2	ZINC000000198767	361144203	/nfs/dbraw/zinc/14/42/03/361144203.db2.gz	UKBAYHIDBOWPPK-YIONKMFJSA-N	2	0	280.412	2.031	40	0		CEABRP
CC[NH+](CC)CCN1CC[NH+]=C1Cc1ccccc1	ZINC000001669270	361214801	/nfs/dbraw/zinc/21/48/01/361214801.db2.gz	XEBBMZAZEKODGS-UHFFFAOYSA-N	2	0	259.397	2.285	40	0		CEABRP
Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)oc1C	ZINC000096184322	364406819	/nfs/dbraw/zinc/40/68/19/364406819.db2.gz	ZLYZXPRVYQGAES-IRXDYDNUSA-N	2	0	291.439	2.107	40	0		CEABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)c1	ZINC000257217219	190014031	/nfs/dbraw/zinc/01/40/31/190014031.db2.gz	CYBRFAPCIWITOP-CQSZACIVSA-N	2	0	285.395	2.155	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216342	394593311	/nfs/dbraw/zinc/59/33/11/394593311.db2.gz	HALIMDBSNZYMLH-HNNXBMFYSA-N	2	0	274.412	2.037	40	0		CEABRP
CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216362	394593515	/nfs/dbraw/zinc/59/35/15/394593515.db2.gz	BQXACZFROBBEAK-MRXNPFEDSA-N	2	0	288.439	2.427	40	0		CEABRP
NCC[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CC1	ZINC000079393649	394631288	/nfs/dbraw/zinc/63/12/88/394631288.db2.gz	CSGPIJXUCFOFSD-UHFFFAOYSA-N	2	0	287.451	2.322	40	0		CEABRP
C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3cccs3)CC[C@@H]12	ZINC000096056199	185078157	/nfs/dbraw/zinc/07/81/57/185078157.db2.gz	QYTLMNQSZFILOU-YUELXQCFSA-N	2	0	280.437	2.147	40	0		CEABRP
CCc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)o1	ZINC000306144514	376542563	/nfs/dbraw/zinc/54/25/63/376542563.db2.gz	ZHKNFAFYHDIQJB-DLBZAZTESA-N	2	0	291.439	2.052	40	0		CEABRP
C[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1	ZINC000225607381	394469166	/nfs/dbraw/zinc/46/91/66/394469166.db2.gz	GDNNHXYGJATDLO-ZYHUDNBSSA-N	2	0	269.186	2.053	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216581	394593099	/nfs/dbraw/zinc/59/30/99/394593099.db2.gz	URPAHDFOTZAADV-MRXNPFEDSA-N	2	0	288.439	2.379	40	0		CEABRP
CC[C@H]1CO[C@@]2(C1)CCC[N@H+](CCC[NH+](C)C)C2	ZINC000096089830	281213642	/nfs/dbraw/zinc/21/36/42/281213642.db2.gz	YVLONVXWSIRREV-HUUCEWRRSA-N	2	0	254.418	2.219	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216341	394593350	/nfs/dbraw/zinc/59/33/50/394593350.db2.gz	HALIMDBSNZYMLH-OAHLLOKOSA-N	2	0	274.412	2.037	40	0		CEABRP
OCC[N@H+](C[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1	ZINC000079393555	363593816	/nfs/dbraw/zinc/59/38/16/363593816.db2.gz	CXELYOQSQLGQQG-QGZVFWFLSA-N	2	0	288.435	2.355	40	0		CEABRP
CC(C)N(CC[NH3+])C[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000079393609	363594687	/nfs/dbraw/zinc/59/46/87/363594687.db2.gz	CIRGXAUYDVEXDX-QGZVFWFLSA-N	2	0	275.440	2.320	40	0		CEABRP
CC[N@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1	ZINC000079414236	363597136	/nfs/dbraw/zinc/59/71/36/363597136.db2.gz	KPAXXWCZCDXQIN-UHFFFAOYSA-N	2	0	276.424	2.402	40	0		CEABRP
[NH3+]CCN1CCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079414713	363597518	/nfs/dbraw/zinc/59/75/18/363597518.db2.gz	INURNTJCCXSPAP-KRWDZBQOSA-N	2	0	273.424	2.074	40	0		CEABRP
Cc1cccc(N2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)n1	ZINC000257279964	371611081	/nfs/dbraw/zinc/61/10/81/371611081.db2.gz	OIXLGPKXHWCVRD-OAHLLOKOSA-N	2	0	298.390	2.205	40	0		CEABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+](C)C1	ZINC000260559657	371637198	/nfs/dbraw/zinc/63/71/98/371637198.db2.gz	HHRJHJBCZLZZHN-HOTGVXAUSA-N	2	0	295.471	2.099	40	0		CEABRP
CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216287	394593445	/nfs/dbraw/zinc/59/34/45/394593445.db2.gz	IKEUFFKNIYBQAR-MRXNPFEDSA-N	2	0	288.439	2.428	40	0		CEABRP
C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000096047912	185072416	/nfs/dbraw/zinc/07/24/16/185072416.db2.gz	WZGCCKVKQGQRHB-CQSZACIVSA-N	2	0	280.437	2.433	40	0		CEABRP
[NH3+]CCCC[C@@H]([NH3+])c1nc2cc(Br)ccc2[nH]1	ZINC000085397138	179049757	/nfs/dbraw/zinc/04/97/57/179049757.db2.gz	OVGWVLLZWALSRM-SECBINFHSA-N	2	0	297.200	2.454	40	0		CEABRP
CCO[C@@H]([C@H](OCC)[n+]1ccccc1)[n+]1ccccc1	ZINC000001628328	361212167	/nfs/dbraw/zinc/21/21/67/361212167.db2.gz	ASRGSKYULBGXPH-HOTGVXAUSA-N	2	0	274.364	2.032	40	0		CEABRP
CC[NH2+][C@@H]1CCOC2(CCN(c3ccccn3)CC2)C1	ZINC000257281220	371609777	/nfs/dbraw/zinc/60/97/77/371609777.db2.gz	OODZRPZGJBACNI-CQSZACIVSA-N	2	0	275.396	2.209	40	0		CEABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3cnn(C)c3C)C2)c1	ZINC000257256952	190021939	/nfs/dbraw/zinc/02/19/39/190021939.db2.gz	KNNCHKCZQXOZGN-CQSZACIVSA-N	2	0	299.422	2.463	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216281	394593429	/nfs/dbraw/zinc/59/34/29/394593429.db2.gz	MRUDVNYGQPJHRU-OAHLLOKOSA-N	2	0	274.412	2.037	40	0		CEABRP
CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216599	394593581	/nfs/dbraw/zinc/59/35/81/394593581.db2.gz	HNVBLAOTGGDUMO-INIZCTEOSA-N	2	0	288.439	2.380	40	0		CEABRP
C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccsc3)CC[C@@H]12	ZINC000096056201	185078129	/nfs/dbraw/zinc/07/81/29/185078129.db2.gz	GQYAOYJVISIDGV-KFWWJZLASA-N	2	0	280.437	2.147	40	0		CEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CC[NH3+])C1	ZINC000079414648	363596808	/nfs/dbraw/zinc/59/68/08/363596808.db2.gz	SNZGINFJOQZXQL-QGZVFWFLSA-N	2	0	275.440	2.178	40	0		CEABRP
Cc1ccc(C)c(N2C(=[NH2+])NC(=[NH2+])NC23CCCCC3)c1	ZINC000000269183	361154454	/nfs/dbraw/zinc/15/44/54/361154454.db2.gz	CPUMIVPUVDJPDS-UHFFFAOYSA-N	2	0	285.395	2.413	40	0		CEABRP
NC(=[NH2+])Cc1ccc(CCc2ccc(CC(N)=[NH2+])cc2)cc1	ZINC000001718360	361219958	/nfs/dbraw/zinc/21/99/58/361219958.db2.gz	YOMBTQBWIHFELL-UHFFFAOYSA-N	2	0	294.402	2.429	40	0		CEABRP
CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216344	394593506	/nfs/dbraw/zinc/59/35/06/394593506.db2.gz	HHSSWPDPHWKBOT-HNNXBMFYSA-N	2	0	274.412	2.038	40	0		CEABRP
CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216286	394593713	/nfs/dbraw/zinc/59/37/13/394593713.db2.gz	PBTFXAXBUIHEFT-INIZCTEOSA-N	2	0	288.439	2.284	40	0		CEABRP
CC[C@H](O)[C@@](CC[NH+](C)C)(C[NH+](C)C)c1ccccc1	ZINC000001717949	288117733	/nfs/dbraw/zinc/11/77/33/288117733.db2.gz	MXIQJUFQWBZITO-IRXDYDNUSA-N	2	0	278.440	2.209	40	0		CEABRP
CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2O1	ZINC000096100363	185098066	/nfs/dbraw/zinc/09/80/66/185098066.db2.gz	AHGDRSMYOQUJSC-ZACQAIPSSA-N	2	0	289.423	2.011	40	0		CEABRP
CC(C)N(CC[NH3+])C1CC[NH+](Cc2ccccc2)CC1	ZINC000079393617	363594104	/nfs/dbraw/zinc/59/41/04/363594104.db2.gz	VAUFKOYJFGPORW-UHFFFAOYSA-N	2	0	275.440	2.320	40	0		CEABRP
[NH3+]CCN(C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079393633	363593795	/nfs/dbraw/zinc/59/37/95/363593795.db2.gz	HAKFPHGKIMXNGL-QGZVFWFLSA-N	2	0	273.424	2.074	40	0		CEABRP
CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3ccccc3)C2)C1	ZINC000096216599	364412261	/nfs/dbraw/zinc/41/22/61/364412261.db2.gz	FTNDXSLTRILPGJ-QZTJIDSGSA-N	2	0	288.435	2.477	40	0		CEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCN(CC[NH3+])C1	ZINC000079414652	394631705	/nfs/dbraw/zinc/63/17/05/394631705.db2.gz	SNZGINFJOQZXQL-KRWDZBQOSA-N	2	0	275.440	2.178	40	0		CEABRP
CC[NH+](CC)CCC[NH2+]C[C@H](C)C(=O)OC(C)(C)C	ZINC000047219143	362201870	/nfs/dbraw/zinc/20/18/70/362201870.db2.gz	UMTOVYSHWDTEIK-ZDUSSCGKSA-N	2	0	272.433	2.286	40	0		CEABRP
[NH3+]CCN1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079414761	363597509	/nfs/dbraw/zinc/59/75/09/363597509.db2.gz	PJWRPWALOYQVRU-QGZVFWFLSA-N	2	0	287.451	2.322	40	0		CEABRP
Cc1cccc(N2C(=[NH2+])NC(=[NH2+])NC23CCCCC3)c1	ZINC000000203634	361144747	/nfs/dbraw/zinc/14/47/47/361144747.db2.gz	YNNMFPKTGNGOMS-UHFFFAOYSA-N	2	0	271.368	2.105	40	0		CEABRP
CNc1cc(C)[nH+]c([C@H]2CN(c3ccnc(C)n3)CCO2)c1	ZINC000257241779	371609566	/nfs/dbraw/zinc/60/95/66/371609566.db2.gz	HZOGDGDBZVPGOA-OAHLLOKOSA-N	2	0	299.378	2.108	40	0		CEABRP
CC[NH+]1CCC(N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1	ZINC000257268129	190023680	/nfs/dbraw/zinc/02/36/80/190023680.db2.gz	MKJDQVWEDPSGTG-SFHVURJKSA-N	2	0	287.451	2.459	40	0		CEABRP
CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216288	394593080	/nfs/dbraw/zinc/59/30/80/394593080.db2.gz	IKEUFFKNIYBQAR-INIZCTEOSA-N	2	0	288.439	2.428	40	0		CEABRP
CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216361	394593626	/nfs/dbraw/zinc/59/36/26/394593626.db2.gz	LHGHYJUMRXLMSV-INIZCTEOSA-N	2	0	288.439	2.428	40	0		CEABRP
C[C@@H](C[NH2+]CC(C)(C)C[NH+](C)C)C(=O)OC(C)(C)C	ZINC000047219144	362201827	/nfs/dbraw/zinc/20/18/27/362201827.db2.gz	BFPUNVDZQBNHES-LBPRGKRZSA-N	2	0	272.433	2.142	40	0		CEABRP
C[NH+](C)Cc1c2cccnc2[nH]c1[C@H]1CCC[NH2+]C1	ZINC000019583370	361545342	/nfs/dbraw/zinc/54/53/42/361545342.db2.gz	AIAXAFLQWGIDLF-NSHDSACASA-N	2	0	258.369	2.092	40	0		CEABRP
CC1(C)[C@H]2CC[C@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCCC1)C2	ZINC000072210468	394592364	/nfs/dbraw/zinc/59/23/64/394592364.db2.gz	HBUPWEWXZGYSEF-NXNVCVFFSA-N	2	0	280.456	2.234	40	0		CEABRP
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216343	394592711	/nfs/dbraw/zinc/59/27/11/394592711.db2.gz	HHSSWPDPHWKBOT-OAHLLOKOSA-N	2	0	274.412	2.038	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216521	394593059	/nfs/dbraw/zinc/59/30/59/394593059.db2.gz	DBJFHLGKXOWNFC-MRXNPFEDSA-N	2	0	288.439	2.379	40	0		CEABRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216300	394593400	/nfs/dbraw/zinc/59/34/00/394593400.db2.gz	KOWODQVRDHJNID-MRXNPFEDSA-N	2	0	288.439	2.428	40	0		CEABRP
CC[NH+](CC)CC[C@H]1Cn2nccc2C[N@H+](CC2CC2)C1	ZINC000248278478	276329390	/nfs/dbraw/zinc/32/93/90/276329390.db2.gz	ZTMGBISVDVQJKI-MRXNPFEDSA-N	2	0	290.455	2.457	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1	ZINC000248011976	280271467	/nfs/dbraw/zinc/27/14/67/280271467.db2.gz	PONWLJVZGWCKJO-KKUMJFAQSA-N	2	0	283.460	2.080	40	0		CEABRP
C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000096224800	364414076	/nfs/dbraw/zinc/41/40/76/364414076.db2.gz	BWVWLWKVDRQYMV-MRXNPFEDSA-N	2	0	274.408	2.372	40	0		CEABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1csc(C)n1)CC[NH2+]CC2	ZINC000096240354	364417148	/nfs/dbraw/zinc/41/71/48/364417148.db2.gz	KUMAYTZUVCXBKJ-AWEZNQCLSA-N	2	0	295.452	2.042	40	0		CEABRP
C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CC3)[C@@H]2C1	ZINC000409427702	375524204	/nfs/dbraw/zinc/52/42/04/375524204.db2.gz	BUHGYPQOLLDKKM-ZACQAIPSSA-N	2	0	256.393	2.459	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216282	394592940	/nfs/dbraw/zinc/59/29/40/394592940.db2.gz	MRUDVNYGQPJHRU-HNNXBMFYSA-N	2	0	274.412	2.037	40	0		CEABRP
CCO[C@H]([C@H](OCC)[n+]1ccccc1)[n+]1ccccc1	ZINC000017285818	361507165	/nfs/dbraw/zinc/50/71/65/361507165.db2.gz	ASRGSKYULBGXPH-IYBDPMFKSA-N	2	0	274.364	2.032	40	0		CEABRP
[NH3+]C1(Cc2cccc(C(F)(F)F)c2)CC[NH2+]CC1	ZINC000098213860	364537980	/nfs/dbraw/zinc/53/79/80/364537980.db2.gz	SNCKMFLGGWRWCU-UHFFFAOYSA-N	2	0	258.287	2.329	40	0		CEABRP
CC[NH+](CC)CC[C@@H]1Cn2nccc2C[N@H+](CC2CC2)C1	ZINC000248278476	371172610	/nfs/dbraw/zinc/17/26/10/371172610.db2.gz	ZTMGBISVDVQJKI-INIZCTEOSA-N	2	0	290.455	2.457	40	0		CEABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3cncn3C)C2)c1	ZINC000257271532	190023831	/nfs/dbraw/zinc/02/38/31/190023831.db2.gz	MYRNTEVPBFDTBB-ZDUSSCGKSA-N	2	0	285.395	2.155	40	0		CEABRP
CCOC(=O)CC[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000036667873	172647118	/nfs/dbraw/zinc/64/71/18/172647118.db2.gz	LTQBLAZXPPAFSG-ZDUSSCGKSA-N	2	0	258.406	2.040	40	0		CEABRP
c1ccc(COC[C@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1	ZINC000095908687	185031150	/nfs/dbraw/zinc/03/11/50/185031150.db2.gz	DQUKACLVCXNZAL-QGZVFWFLSA-N	2	0	274.408	2.420	40	0		CEABRP
CC(C)[N@H+](C)Cc1[nH]nc2c1CC[NH+](CC1CC1)C2	ZINC000096084098	185092553	/nfs/dbraw/zinc/09/25/53/185092553.db2.gz	HLUYRKGXJJWRJZ-UHFFFAOYSA-N	2	0	262.401	2.018	40	0		CEABRP
COc1ccc2c(c1)C1(C[C@@H]2[NH+](C)C)CC[NH2+]CC1	ZINC000084799961	178926531	/nfs/dbraw/zinc/92/65/31/178926531.db2.gz	AMINWNLVIRDPEU-HNNXBMFYSA-N	2	0	260.381	2.323	40	0		CEABRP
C[NH+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1	ZINC000019583373	361545079	/nfs/dbraw/zinc/54/50/79/361545079.db2.gz	YGNZOXUQRJCYKL-UHFFFAOYSA-N	2	0	258.369	2.092	40	0		CEABRP
Cc1[nH+]c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c2ccccn12	ZINC000072397556	176395003	/nfs/dbraw/zinc/39/50/03/176395003.db2.gz	IFBMKCAVZBSSAN-HIFRSBDPSA-N	2	0	284.407	2.311	40	0		CEABRP
CC(C)N(CC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393614	363593952	/nfs/dbraw/zinc/59/39/52/363593952.db2.gz	XEXGBFRXQGVNIW-QGZVFWFLSA-N	2	0	275.440	2.320	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCCC[C@@H]1[NH+](C)C	ZINC000079407690	363596085	/nfs/dbraw/zinc/59/60/85/363596085.db2.gz	RRVXFWJLEDKVRH-KKUMJFAQSA-N	2	0	283.460	2.080	40	0		CEABRP
CC[C@@H](O)[C@@](CC[NH+](C)C)(C[NH+](C)C)c1ccccc1	ZINC000001717950	361219560	/nfs/dbraw/zinc/21/95/60/361219560.db2.gz	MXIQJUFQWBZITO-SJORKVTESA-N	2	0	278.440	2.209	40	0		CEABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2	ZINC000096218076	364412211	/nfs/dbraw/zinc/41/22/11/364412211.db2.gz	NCAOHZAKRYPZIM-GDBMZVCRSA-N	2	0	294.464	2.457	40	0		CEABRP
[NH3+]CCCC[NH2+]Cc1cc(Br)cs1	ZINC000037715246	173634438	/nfs/dbraw/zinc/63/44/38/173634438.db2.gz	ARJQVRZODMXPQD-UHFFFAOYSA-N	2	0	263.204	2.339	40	0		CEABRP
[NH3+][C@H]1CCCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1	ZINC000040431790	174260340	/nfs/dbraw/zinc/26/03/40/174260340.db2.gz	DNIGNRKTSONDSF-DLBZAZTESA-N	2	0	273.424	2.074	40	0		CEABRP
C[NH+](C)CCC1(CC[NH+](C)C)c2ccccc2CCC1=O	ZINC000004353101	289107495	/nfs/dbraw/zinc/10/74/95/289107495.db2.gz	LEABXZIOSPUOAV-UHFFFAOYSA-N	2	0	288.435	2.343	40	0		CEABRP
C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000072324585	300315661	/nfs/dbraw/zinc/31/56/61/300315661.db2.gz	VSNBXFAVCMPSEF-MAUKXSAKSA-N	2	0	287.451	2.417	40	0		CEABRP
Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+](C)C)[C@H]3C2)s1	ZINC000096056229	185077139	/nfs/dbraw/zinc/07/71/39/185077139.db2.gz	MWZQZVJRWHMJSV-CWRNSKLLSA-N	2	0	294.464	2.455	40	0		CEABRP
Brc1cccc(C[NH2+]C2CC[NH2+]CC2)c1	ZINC000042418877	362092232	/nfs/dbraw/zinc/09/22/32/362092232.db2.gz	CTNAVTOSHLSDCU-UHFFFAOYSA-N	2	0	269.186	2.291	40	0		CEABRP
CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216283	394593219	/nfs/dbraw/zinc/59/32/19/394593219.db2.gz	WXENIWOWQNHOBP-OAHLLOKOSA-N	2	0	274.412	2.038	40	0		CEABRP
Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CC[NH+](C)CC1	ZINC000072222569	394594502	/nfs/dbraw/zinc/59/45/02/394594502.db2.gz	QZVCYHDBQDTCEV-QGZVFWFLSA-N	2	0	296.418	2.190	40	0		CEABRP
C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000072324586	176369777	/nfs/dbraw/zinc/36/97/77/176369777.db2.gz	VSNBXFAVCMPSEF-YJBOKZPZSA-N	2	0	287.451	2.417	40	0		CEABRP
Cc1ccsc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1	ZINC000096108261	185099646	/nfs/dbraw/zinc/09/96/46/185099646.db2.gz	FFAOMBLMPIOZMK-HIFRSBDPSA-N	2	0	280.437	2.067	40	0		CEABRP
c1ccc(C[NH2+]CCNCC[NH2+]Cc2ccccc2)cc1	ZINC000019366598	361528227	/nfs/dbraw/zinc/52/82/27/361528227.db2.gz	RLAQWTCINCQFON-UHFFFAOYSA-N	2	0	283.419	2.156	40	0		CEABRP
C(OC[C@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2)C1CC1	ZINC000096218497	364412765	/nfs/dbraw/zinc/41/27/65/364412765.db2.gz	UZNRHYWSGYFVTI-MRXNPFEDSA-N	2	0	278.440	2.267	40	0		CEABRP
Cc1ccc2c(c1)[C@@H]([NH+](C)C)CC21CC[NH+](CCO)CC1	ZINC000096241776	364416895	/nfs/dbraw/zinc/41/68/95/364416895.db2.gz	ARCFLLWYDGHUMS-KRWDZBQOSA-N	2	0	288.435	2.327	40	0		CEABRP
Cc1ccc2c(c1)[C@H]([NH+]1CCOCC1)CC21CC[NH2+]CC1	ZINC000096079409	394675513	/nfs/dbraw/zinc/67/55/13/394675513.db2.gz	HBOOFELTRHJXPO-QGZVFWFLSA-N	2	0	286.419	2.393	40	0		CEABRP
CC[C@@H]1CO[C@]2(C1)CCC[N@H+](CCC[NH+](C)C)C2	ZINC000096089833	394676847	/nfs/dbraw/zinc/67/68/47/394676847.db2.gz	YVLONVXWSIRREV-GJZGRUSLSA-N	2	0	254.418	2.219	40	0		CEABRP
[NH3+][C@@H]1CCCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1	ZINC000040431793	174260158	/nfs/dbraw/zinc/26/01/58/174260158.db2.gz	DNIGNRKTSONDSF-SJORKVTESA-N	2	0	273.424	2.074	40	0		CEABRP
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000072324740	176369726	/nfs/dbraw/zinc/36/97/26/176369726.db2.gz	VSNBXFAVCMPSEF-CRAIPNDOSA-N	2	0	287.451	2.417	40	0		CEABRP
CC[C@H]([NH3+])c1cnc(N2CC[NH+](C(C)C)CC2)cc1C	ZINC000072223713	256704847	/nfs/dbraw/zinc/70/48/47/256704847.db2.gz	HKVRGJHCIPCLRJ-HNNXBMFYSA-N	2	0	276.428	2.330	40	0		CEABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](C)CC2	ZINC000096208101	256823609	/nfs/dbraw/zinc/82/36/09/256823609.db2.gz	QJICPRANIYTPPV-MRXNPFEDSA-N	2	0	289.423	2.014	40	0		CEABRP
[NH3+]CCN1CCC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079414740	363596522	/nfs/dbraw/zinc/59/65/22/363596522.db2.gz	IHLPMILTHBNGBH-KRWDZBQOSA-N	2	0	273.424	2.074	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CCCC[C@H]1[NH+](C)C	ZINC000079407701	363596139	/nfs/dbraw/zinc/59/61/39/363596139.db2.gz	RRVXFWJLEDKVRH-ILXRZTDVSA-N	2	0	283.460	2.080	40	0		CEABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC[NH3+])C1	ZINC000079414654	363596965	/nfs/dbraw/zinc/59/69/65/363596965.db2.gz	PDZUPCVZVJKDPZ-QGZVFWFLSA-N	2	0	275.440	2.320	40	0		CEABRP
CC(C)[N@H+](Cc1ccccc1)C1CCN(CC[NH3+])CC1	ZINC000079414665	363597447	/nfs/dbraw/zinc/59/74/47/363597447.db2.gz	AORPEBSUEODXFI-UHFFFAOYSA-N	2	0	275.440	2.320	40	0		CEABRP
CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216523	394593278	/nfs/dbraw/zinc/59/32/78/394593278.db2.gz	FTZHLJLEEYBRPR-MRXNPFEDSA-N	2	0	288.439	2.380	40	0		CEABRP
CCN(CC[NH3+])C[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393599	177476541	/nfs/dbraw/zinc/47/65/41/177476541.db2.gz	HTCUQFSULPUSQU-QGZVFWFLSA-N	2	0	275.440	2.179	40	0		CEABRP
CC[NH+]1CCC(N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1	ZINC000257268128	276149827	/nfs/dbraw/zinc/14/98/27/276149827.db2.gz	MKJDQVWEDPSGTG-GOSISDBHSA-N	2	0	287.451	2.459	40	0		CEABRP
C[NH+](C)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000096047908	185072843	/nfs/dbraw/zinc/07/28/43/185072843.db2.gz	CHWNFETVGAHJLI-CYBMUJFWSA-N	2	0	280.437	2.433	40	0		CEABRP
Cc1ccccc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+](C)C)C1	ZINC000096108257	185099910	/nfs/dbraw/zinc/09/99/10/185099910.db2.gz	ALNIXLYDRDNKDZ-SJORKVTESA-N	2	0	274.408	2.005	40	0		CEABRP
CC[N@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000052174680	362468174	/nfs/dbraw/zinc/46/81/74/362468174.db2.gz	SDLRJFVWYNTGNQ-YIONKMFJSA-N	2	0	252.402	2.018	40	0		CEABRP
[NH3+]CCN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1	ZINC000079393644	363593707	/nfs/dbraw/zinc/59/37/07/363593707.db2.gz	OTRYZBPMBSSDQZ-SFHVURJKSA-N	2	0	287.451	2.464	40	0		CEABRP
CC[C@@H]([NH3+])c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1	ZINC000072222672	394594341	/nfs/dbraw/zinc/59/43/41/394594341.db2.gz	LGJAGRIHMIOCND-OAHLLOKOSA-N	2	0	276.428	2.330	40	0		CEABRP
CC(C)N(CC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393616	363594169	/nfs/dbraw/zinc/59/41/69/363594169.db2.gz	XEXGBFRXQGVNIW-KRWDZBQOSA-N	2	0	275.440	2.320	40	0		CEABRP
O=C1[C@H](C[NH+]2CCCC2)CCC[C@H]1C[NH+]1CCCC1	ZINC000001640636	361213232	/nfs/dbraw/zinc/21/32/32/361213232.db2.gz	MWRINUZNYDPFBG-GJZGRUSLSA-N	2	0	264.413	2.163	40	0		CEABRP
COc1ccc(OC)c(C[NH+]2CCC(CC[NH3+])CC2)c1	ZINC000015423967	361471935	/nfs/dbraw/zinc/47/19/35/361471935.db2.gz	LSRMGDGZVWUHSE-UHFFFAOYSA-N	2	0	278.396	2.265	40	0		CEABRP
COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC	ZINC000015423981	361472995	/nfs/dbraw/zinc/47/29/95/361472995.db2.gz	LGWDIKMHDVJCLM-UHFFFAOYSA-N	2	0	278.396	2.265	40	0		CEABRP
c1ccc2c(c1)C[NH2+][C@@H]1CN(c3cc[nH+]cc3)C[C@@H]21	ZINC000096062778	364399916	/nfs/dbraw/zinc/39/99/16/364399916.db2.gz	WZBWHASLUUBJDO-JKSUJKDBSA-N	2	0	251.333	2.157	40	0		CEABRP
COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1)C2	ZINC000096216561	364413405	/nfs/dbraw/zinc/41/34/05/364413405.db2.gz	UIEMNURGRVOCJH-DLBZAZTESA-N	2	0	274.408	2.087	40	0		CEABRP
C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CC3)[C@H]2C1	ZINC000409427701	375524287	/nfs/dbraw/zinc/52/42/87/375524287.db2.gz	BUHGYPQOLLDKKM-IXDOHACOSA-N	2	0	256.393	2.459	40	0		CEABRP
Cc1ncsc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2	ZINC000096216119	256824954	/nfs/dbraw/zinc/82/49/54/256824954.db2.gz	FZZIWUBROJNZRO-UKRRQHHQSA-N	2	0	295.452	2.137	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1	ZINC000079414614	177484268	/nfs/dbraw/zinc/48/42/68/177484268.db2.gz	BZQNWWZCGVZTFA-KRWDZBQOSA-N	2	0	275.440	2.179	40	0		CEABRP
C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1	ZINC000079414150	363597590	/nfs/dbraw/zinc/59/75/90/363597590.db2.gz	NAUMCYBEBRDWHH-UHFFFAOYSA-N	2	0	262.397	2.012	40	0		CEABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1C)C2	ZINC000096220051	364414873	/nfs/dbraw/zinc/41/48/73/364414873.db2.gz	ZWQIIRZOMQBFRO-QZTJIDSGSA-N	2	0	288.435	2.395	40	0		CEABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)o1	ZINC000096047917	185073615	/nfs/dbraw/zinc/07/36/15/185073615.db2.gz	LYBSUYSHGDREIH-CQSZACIVSA-N	2	0	278.396	2.273	40	0		CEABRP
[NH3+]CCCC[C@H]([NH3+])c1nc2cc(Br)ccc2[nH]1	ZINC000085397140	179050130	/nfs/dbraw/zinc/05/01/30/179050130.db2.gz	OVGWVLLZWALSRM-VIFPVBQESA-N	2	0	297.200	2.454	40	0		CEABRP
Cc1nc(CN2CCCC23CC[NH2+]CC3)cs1	ZINC000257688977	190038211	/nfs/dbraw/zinc/03/82/11/190038211.db2.gz	MZEVXLMVCGOLBE-UHFFFAOYSA-N	2	0	251.399	2.170	40	0		CEABRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216538	394593176	/nfs/dbraw/zinc/59/31/76/394593176.db2.gz	XKJDOOTVQLVMMU-MRXNPFEDSA-N	2	0	288.439	2.380	40	0		CEABRP
C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccc(Br)cc2)C1	ZINC000096886190	290267193	/nfs/dbraw/zinc/26/71/93/290267193.db2.gz	GDNNHXYGJATDLO-PWSUYJOCSA-N	2	0	269.186	2.053	40	0		CEABRP
c1coc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047939	185072382	/nfs/dbraw/zinc/07/23/82/185072382.db2.gz	GOBAULULGVSJNM-OAHLLOKOSA-N	2	0	290.407	2.499	40	0		CEABRP
c1coc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047938	185073660	/nfs/dbraw/zinc/07/36/60/185073660.db2.gz	GOBAULULGVSJNM-HNNXBMFYSA-N	2	0	290.407	2.499	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1[NH+](C)C	ZINC000079426716	363600881	/nfs/dbraw/zinc/60/08/81/363600881.db2.gz	RRVXFWJLEDKVRH-ZNMIVQPWSA-N	2	0	283.460	2.080	40	0		CEABRP
C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1	ZINC000100178205	364540950	/nfs/dbraw/zinc/54/09/50/364540950.db2.gz	NAUMCYBEBRDWHH-IYBDPMFKSA-N	2	0	262.397	2.012	40	0		CEABRP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216298	394593404	/nfs/dbraw/zinc/59/34/04/394593404.db2.gz	JWCDTQRQUQFQST-OAHLLOKOSA-N	2	0	274.412	2.038	40	0		CEABRP
CC[C@@H]([NH3+])c1cnc(N2CC[NH+](C(C)C)CC2)cc1C	ZINC000072223714	394594715	/nfs/dbraw/zinc/59/47/15/394594715.db2.gz	HKVRGJHCIPCLRJ-OAHLLOKOSA-N	2	0	276.428	2.330	40	0		CEABRP
Cc1c[nH+]c2cc(Cl)ccc2c1NCC[NH2+]CCO	ZINC000001700233	169744824	/nfs/dbraw/zinc/74/48/24/169744824.db2.gz	XGUHVRFNPDUDES-UHFFFAOYSA-N	2	0	279.771	2.190	40	0		CEABRP
C[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1	ZINC000248049606	523352931	/nfs/dbraw/zinc/35/29/31/523352931.db2.gz	NAUMCYBEBRDWHH-WKILWMFISA-N	2	0	262.397	2.012	40	0		CEABRP
CC[C@@H]([NH3+])c1ccc(N2CC[NH+](C(C)C)CC2)nc1	ZINC000072225619	394595597	/nfs/dbraw/zinc/59/55/97/394595597.db2.gz	LVZQVIWOYDHWQX-CQSZACIVSA-N	2	0	262.401	2.022	40	0		CEABRP
Brc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1	ZINC000042340295	362085074	/nfs/dbraw/zinc/08/50/74/362085074.db2.gz	QKXFDFDSHFFHJC-UHFFFAOYSA-N	2	0	269.186	2.291	40	0		CEABRP
Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)s1	ZINC000096184309	344239258	/nfs/dbraw/zinc/23/92/58/344239258.db2.gz	WCEFPOPPPVJBDH-CVEARBPZSA-N	2	0	293.480	2.267	40	0		CEABRP
[NH3+]CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1	ZINC000059369891	362648497	/nfs/dbraw/zinc/64/84/97/362648497.db2.gz	VNIVWJZKJPHGSB-UHFFFAOYSA-N	2	0	281.831	2.197	40	0		CEABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3cnn(C)c3C)C2)c1	ZINC000257256951	190021447	/nfs/dbraw/zinc/02/14/47/190021447.db2.gz	KNNCHKCZQXOZGN-AWEZNQCLSA-N	2	0	299.422	2.463	40	0		CEABRP
CC[C@H]([NH3+])c1ccc(N2CC[NH+](C(C)C)CC2)nc1C	ZINC000072224758	394594209	/nfs/dbraw/zinc/59/42/09/394594209.db2.gz	QIUJDELZTFYNEB-HNNXBMFYSA-N	2	0	276.428	2.330	40	0		CEABRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2	ZINC000104955352	394721011	/nfs/dbraw/zinc/72/10/11/394721011.db2.gz	SFHFDXIKQWUDPS-OAHLLOKOSA-N	2	0	260.381	2.030	40	0		CEABRP
[NH3+]CCN1CCCC[C@@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079414759	295233236	/nfs/dbraw/zinc/23/32/36/295233236.db2.gz	ILXFOKGQODVSAD-GOSISDBHSA-N	2	0	287.451	2.464	40	0		CEABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccncc1)CC[NH+](C)CC2	ZINC000096208102	364411518	/nfs/dbraw/zinc/41/15/18/364411518.db2.gz	QJICPRANIYTPPV-INIZCTEOSA-N	2	0	289.423	2.014	40	0		CEABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3cncn3C)C2)c1	ZINC000257271531	190023789	/nfs/dbraw/zinc/02/37/89/190023789.db2.gz	MYRNTEVPBFDTBB-CYBMUJFWSA-N	2	0	285.395	2.155	40	0		CEABRP
c1ccc2c(c1)C[NH2+]CC21CC[NH+](C2CCOCC2)CC1	ZINC000096242476	256830909	/nfs/dbraw/zinc/83/09/09/256830909.db2.gz	QZQOMRLSXAQFQO-UHFFFAOYSA-N	2	0	286.419	2.302	40	0		CEABRP
C[NH+](C)C[C@H]1OC[C@@H]2CC[N@H+](Cc3ccsc3)C[C@@H]21	ZINC000096056227	282141462	/nfs/dbraw/zinc/14/14/62/282141462.db2.gz	RCFAEZQRRXOYTP-SOUVJXGZSA-N	2	0	280.437	2.147	40	0		CEABRP
[NH3+]C[C@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]12	ZINC000247636757	371131120	/nfs/dbraw/zinc/13/11/20/371131120.db2.gz	FAAZCSOJONMFIE-JGPRNRPPSA-N	2	0	254.736	2.116	40	0		CEABRP
NC(=[NH2+])c1ccc(/C=C\c2ccc(C(N)=[NH2+])cc2O)cc1	ZINC000004896000	303220205	/nfs/dbraw/zinc/22/02/05/303220205.db2.gz	TUESWZZJYCLFNL-RJRFIUFISA-N	2	0	280.331	2.131	40	0	world	CEABRP
CCOC(=O)CC[NH2+][C@H](C)CCC[NH+](CC)CC	ZINC000036667872	361850074	/nfs/dbraw/zinc/85/00/74/361850074.db2.gz	LTQBLAZXPPAFSG-CYBMUJFWSA-N	2	0	258.406	2.040	40	0		CEABRP
c1ccc(C[N@@H+]2CCOC3(CC[NH2+]CC3)CC2)cc1	ZINC000409433807	344888797	/nfs/dbraw/zinc/88/87/97/344888797.db2.gz	TZNMMQIVVAKUOC-UHFFFAOYSA-N	2	0	260.381	2.031	40	0		CEABRP
CCN(CC[NH3+])C[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079393594	363593497	/nfs/dbraw/zinc/59/34/97/363593497.db2.gz	UPVWLTFWQIHBDS-KRWDZBQOSA-N	2	0	275.440	2.322	40	0		CEABRP
OCC[NH+]1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079414419	363596675	/nfs/dbraw/zinc/59/66/75/363596675.db2.gz	NPEWAKQHSZSJQY-UHFFFAOYSA-N	2	0	288.435	2.355	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)C1CCC([NH+](C)C)CC1	ZINC000079426714	363601008	/nfs/dbraw/zinc/60/10/08/363601008.db2.gz	PONWLJVZGWCKJO-NRXISQOPSA-N	2	0	283.460	2.080	40	0		CEABRP
CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)o1	ZINC000096184307	364406386	/nfs/dbraw/zinc/40/63/86/364406386.db2.gz	ZHKNFAFYHDIQJB-SJORKVTESA-N	2	0	291.439	2.052	40	0		CEABRP
Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](C3CCOCC3)C2)[nH+]1	ZINC000257286876	190027100	/nfs/dbraw/zinc/02/71/00/190027100.db2.gz	PNKXYOVGDRLZPD-AWEZNQCLSA-N	2	0	289.423	2.424	40	0		CEABRP
Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)s1	ZINC000306141620	376541065	/nfs/dbraw/zinc/54/10/65/376541065.db2.gz	WCEFPOPPPVJBDH-HZPDHXFCSA-N	2	0	293.480	2.267	40	0		CEABRP
CC(C)[N@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000242648591	400315367	/nfs/dbraw/zinc/31/53/67/400315367.db2.gz	RCRNRGVZMHHJRV-XYPWUTKMSA-N	2	0	266.429	2.406	40	0		CEABRP
[NH3+]CCN1CCCC[C@H]1C[N@H+](Cc1ccccc1)C1CC1	ZINC000079414753	303381655	/nfs/dbraw/zinc/38/16/55/303381655.db2.gz	ILXFOKGQODVSAD-SFHVURJKSA-N	2	0	287.451	2.464	40	0		CEABRP
c1cc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)co1	ZINC000096056233	185077169	/nfs/dbraw/zinc/07/71/69/185077169.db2.gz	KCKASKXSXOZLFE-YESZJQIVSA-N	2	0	290.407	2.212	40	0		CEABRP
c1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)co1	ZINC000096206871	364410663	/nfs/dbraw/zinc/41/06/63/364410663.db2.gz	KWJPSRYSNHYJOB-DLBZAZTESA-N	2	0	290.407	2.499	40	0		CEABRP
C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](C3CC3)[C@H]2C1	ZINC000409427699	375523909	/nfs/dbraw/zinc/52/39/09/375523909.db2.gz	BUHGYPQOLLDKKM-IKGGRYGDSA-N	2	0	256.393	2.459	40	0		CEABRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216539	394592869	/nfs/dbraw/zinc/59/28/69/394592869.db2.gz	XKJDOOTVQLVMMU-INIZCTEOSA-N	2	0	288.439	2.380	40	0		CEABRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2	ZINC000104955357	394721144	/nfs/dbraw/zinc/72/11/44/394721144.db2.gz	SFHFDXIKQWUDPS-HNNXBMFYSA-N	2	0	260.381	2.030	40	0		CEABRP
[NH3+][C@@H]1CCCC[C@H]1N1CC[NH+](Cc2ccccc2)CC1	ZINC000040431792	174260128	/nfs/dbraw/zinc/26/01/28/174260128.db2.gz	DNIGNRKTSONDSF-IAGOWNOFSA-N	2	0	273.424	2.074	40	0		CEABRP
CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3ccsc3)CC[C@@H]21	ZINC000096064365	185084697	/nfs/dbraw/zinc/08/46/97/185084697.db2.gz	LZENCIQAYKWVAV-PMPSAXMXSA-N	2	0	293.480	2.204	40	0		CEABRP
CCOc1ccc2[nH+]ccc(N3CC[NH2+]CC3)c2c1	ZINC000068136415	362936415	/nfs/dbraw/zinc/93/64/15/362936415.db2.gz	UPKGKRAOLGJNOL-UHFFFAOYSA-N	2	0	257.337	2.043	40	0		CEABRP
CC(C)N(CC[NH3+])C[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000079393612	363594668	/nfs/dbraw/zinc/59/46/68/363594668.db2.gz	SAWPHPUERYZSGJ-KRWDZBQOSA-N	2	0	275.440	2.178	40	0		CEABRP
CCC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216524	394592779	/nfs/dbraw/zinc/59/27/79/394592779.db2.gz	FTZHLJLEEYBRPR-INIZCTEOSA-N	2	0	288.439	2.380	40	0		CEABRP
Br/C(=C\C[n+]1ccccc1)C[n+]1ccccc1	ZINC000005678442	170127599	/nfs/dbraw/zinc/12/75/99/170127599.db2.gz	VJNNYOHRUFSSBX-AUWJEWJLSA-N	2	0	291.192	2.241	40	0		CEABRP
C[N@H+]1C[C@@H](c2ccc(Br)cc2)[C@@H](C[NH3+])C1	ZINC000096886189	185121883	/nfs/dbraw/zinc/12/18/83/185121883.db2.gz	GDNNHXYGJATDLO-JQWIXIFHSA-N	2	0	269.186	2.053	40	0		CEABRP
CC[C@H](O)[C@](CC[NH+](C)C)(C[NH+](C)C)c1ccccc1	ZINC000001717951	361219543	/nfs/dbraw/zinc/21/95/43/361219543.db2.gz	MXIQJUFQWBZITO-DLBZAZTESA-N	2	0	278.440	2.209	40	0		CEABRP
COC[C@H]1CC2(C[N@@H+]1Cc1csc(C)n1)CC[NH2+]CC2	ZINC000096240353	364417260	/nfs/dbraw/zinc/41/72/60/364417260.db2.gz	KUMAYTZUVCXBKJ-CQSZACIVSA-N	2	0	295.452	2.042	40	0		CEABRP
CC[NH2+][C@H]1CCOC2(CCN(c3ccccn3)CC2)C1	ZINC000257281219	371611313	/nfs/dbraw/zinc/61/13/13/371611313.db2.gz	OODZRPZGJBACNI-AWEZNQCLSA-N	2	0	275.396	2.209	40	0		CEABRP
CC(C)[NH+]1CCC2(CC1)C[N@H+](C)Cc1cccnc12	ZINC000306133686	394513840	/nfs/dbraw/zinc/51/38/40/394513840.db2.gz	MSQDSTLHMMKSCG-UHFFFAOYSA-N	2	0	259.397	2.269	40	0		CEABRP
c1ccc(COC[C@@H]2CCC[N@@H+]2C2CC[NH2+]CC2)cc1	ZINC000095908686	185030582	/nfs/dbraw/zinc/03/05/82/185030582.db2.gz	DQUKACLVCXNZAL-KRWDZBQOSA-N	2	0	274.408	2.420	40	0		CEABRP
c1cc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)co1	ZINC000096047943	185073103	/nfs/dbraw/zinc/07/31/03/185073103.db2.gz	COYTVOBLSUOMBJ-MRXNPFEDSA-N	2	0	290.407	2.499	40	0		CEABRP
CC[NH+](CC)[C@@]1([C@@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351226	344534869	/nfs/dbraw/zinc/53/48/69/344534869.db2.gz	MYMMFPISRPMSER-NXNVCVFFSA-N	2	0	282.472	2.480	40	0		CEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CC[NH3+]	ZINC000079414645	363596757	/nfs/dbraw/zinc/59/67/57/363596757.db2.gz	UPQBTMYCCOEVGC-QGZVFWFLSA-N	2	0	275.440	2.320	40	0		CEABRP
CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216363	394593207	/nfs/dbraw/zinc/59/32/07/394593207.db2.gz	BQXACZFROBBEAK-INIZCTEOSA-N	2	0	288.439	2.427	40	0		CEABRP
C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C[NH+](C)C)cc1	ZINC000072324741	288313962	/nfs/dbraw/zinc/31/39/62/288313962.db2.gz	VSNBXFAVCMPSEF-QAPCUYQASA-N	2	0	287.451	2.417	40	0		CEABRP
C[NH+](C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3cccs3)CC[C@H]12	ZINC000096057579	185077887	/nfs/dbraw/zinc/07/78/87/185077887.db2.gz	QYTLMNQSZFILOU-QEJZJMRPSA-N	2	0	280.437	2.147	40	0		CEABRP
OCC[N@H+](C[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1	ZINC000079393553	363593605	/nfs/dbraw/zinc/59/36/05/363593605.db2.gz	CXELYOQSQLGQQG-KRWDZBQOSA-N	2	0	288.435	2.355	40	0		CEABRP
CCN(CC[NH3+])C[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000079393596	363594000	/nfs/dbraw/zinc/59/40/00/363594000.db2.gz	UPVWLTFWQIHBDS-QGZVFWFLSA-N	2	0	275.440	2.322	40	0		CEABRP
CCCC[C@@H](C)[NH2+]CCCNCC[NH+](CC)CC	ZINC000022859533	361589395	/nfs/dbraw/zinc/58/93/95/361589395.db2.gz	BUZMAIJIVPHCSH-OAHLLOKOSA-N	2	0	257.466	2.476	40	0		CEABRP
CN1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21	ZINC000096185546	364406927	/nfs/dbraw/zinc/40/69/27/364406927.db2.gz	HTESNTPHZWOBNW-YCPHGPKFSA-N	2	0	293.480	2.204	40	0		CEABRP
C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000096224801	364415145	/nfs/dbraw/zinc/41/51/45/364415145.db2.gz	BWVWLWKVDRQYMV-INIZCTEOSA-N	2	0	274.408	2.372	40	0		CEABRP
[NH3+]C[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1	ZINC000257264451	190023397	/nfs/dbraw/zinc/02/33/97/190023397.db2.gz	LULCDLDYTTYMSJ-BZSNNMDCSA-N	2	0	288.435	2.282	40	0		CEABRP
CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216584	256710625	/nfs/dbraw/zinc/71/06/25/256710625.db2.gz	CTMNVLLKNHPFBN-INIZCTEOSA-N	2	0	288.439	2.380	40	0		CEABRP
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216347	394593193	/nfs/dbraw/zinc/59/31/93/394593193.db2.gz	RFFDVMJXDRNCIN-MRXNPFEDSA-N	2	0	288.439	2.428	40	0		CEABRP
CCOc1ccc2[nH+]c(C)cc(N3CC[NH2+]CC3)c2c1	ZINC000068136485	394580969	/nfs/dbraw/zinc/58/09/69/394580969.db2.gz	QMUUJJQKMVAOQR-UHFFFAOYSA-N	2	0	271.364	2.352	40	0		CEABRP
C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000096047913	185072401	/nfs/dbraw/zinc/07/24/01/185072401.db2.gz	WZGCCKVKQGQRHB-AWEZNQCLSA-N	2	0	280.437	2.433	40	0		CEABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C)CC2	ZINC000585103825	345005611	/nfs/dbraw/zinc/00/56/11/345005611.db2.gz	RUTODROLPLTOAR-CQSZACIVSA-N	2	0	278.396	2.070	40	0		CEABRP
Cc1cc(C[N@H+]2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)oc1C	ZINC000306144682	201845158	/nfs/dbraw/zinc/84/51/58/201845158.db2.gz	ZLYZXPRVYQGAES-IAGOWNOFSA-N	2	0	291.439	2.107	40	0		CEABRP
[NH3+]CCN1CCC([N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079414747	363596934	/nfs/dbraw/zinc/59/69/34/363596934.db2.gz	JOBPQUSOWBTTJD-UHFFFAOYSA-N	2	0	273.424	2.074	40	0		CEABRP
[NH3+]C1(Cc2ccc(C(F)(F)F)cc2)CC[NH2+]CC1	ZINC000098213836	364537736	/nfs/dbraw/zinc/53/77/36/364537736.db2.gz	BHNSKYOJQOEVNE-UHFFFAOYSA-N	2	0	258.287	2.329	40	0		CEABRP
COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH2+]CC2	ZINC000585103201	367179452	/nfs/dbraw/zinc/17/94/52/367179452.db2.gz	MYGZEHJZIHALQT-CYBMUJFWSA-N	2	0	280.437	2.196	40	0		CEABRP
CCC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216284	394592728	/nfs/dbraw/zinc/59/27/28/394592728.db2.gz	WXENIWOWQNHOBP-HNNXBMFYSA-N	2	0	274.412	2.038	40	0		CEABRP
CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216359	394593693	/nfs/dbraw/zinc/59/36/93/394593693.db2.gz	VCOMEWIGXBHYGH-HNNXBMFYSA-N	2	0	274.412	2.038	40	0		CEABRP
Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CC[NH+](C)CC1	ZINC000072222570	394594562	/nfs/dbraw/zinc/59/45/62/394594562.db2.gz	QZVCYHDBQDTCEV-KRWDZBQOSA-N	2	0	296.418	2.190	40	0		CEABRP
Cc1nc(N2CC[NH+](C)CC2)ccc1[C@@H]([NH3+])c1ccccc1	ZINC000072224657	394594611	/nfs/dbraw/zinc/59/46/11/394594611.db2.gz	KBPQFABCQAIEIG-SFHVURJKSA-N	2	0	296.418	2.190	40	0		CEABRP
O=C(CC[NH+]1CCCCC1)CC[NH+]1CCCCC1	ZINC000001706771	303581242	/nfs/dbraw/zinc/58/12/42/303581242.db2.gz	NBRPIPKYWPAINE-UHFFFAOYSA-N	2	0	252.402	2.308	40	0		CEABRP
C1CC[NH+](C2CCN(C3[C@@H]4CCC[C@H]3C[NH2+]C4)CC2)CC1	ZINC000019015029	361519516	/nfs/dbraw/zinc/51/95/16/361519516.db2.gz	FDSRFYZPHZHIEU-BYICEURKSA-N	2	0	291.483	2.325	40	0		CEABRP
c1ccc(C[NH+]2CCC3(CC2)CC[NH2+]CCO3)cc1	ZINC000409431793	344889218	/nfs/dbraw/zinc/88/92/18/344889218.db2.gz	LENAKTLQHDFXFC-UHFFFAOYSA-N	2	0	260.381	2.031	40	0		CEABRP
CC[NH+](CC)CC[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21	ZINC000585112133	345005843	/nfs/dbraw/zinc/00/58/43/345005843.db2.gz	IMLUIIWVBYKXKK-MRXNPFEDSA-N	2	0	276.428	2.382	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1	ZINC000079414619	363597690	/nfs/dbraw/zinc/59/76/90/363597690.db2.gz	BZQNWWZCGVZTFA-QGZVFWFLSA-N	2	0	275.440	2.179	40	0		CEABRP
CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000257260581	190022097	/nfs/dbraw/zinc/02/20/97/190022097.db2.gz	LDMOBGOKPDXOHB-CQSZACIVSA-N	2	0	288.439	2.315	40	0		CEABRP
NC(=[NH2+])c1ccc(/C=C\c2ccc(C(N)=[NH2+])cc2)cc1	ZINC000004777954	394456501	/nfs/dbraw/zinc/45/65/01/394456501.db2.gz	MMURVNDSFNJHAM-UPHRSURJSA-N	2	0	264.332	2.425	40	0	in-vitro	CEABRP
CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccoc3)C[C@@H]2O1	ZINC000096100359	394677298	/nfs/dbraw/zinc/67/72/98/394677298.db2.gz	SKMYFPBVPBAZDP-OAGGEKHMSA-N	2	0	278.396	2.209	40	0		CEABRP
[NH3+]CCN(C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079393646	363595976	/nfs/dbraw/zinc/59/59/76/363595976.db2.gz	RIQXBDQAYAJPHI-KRWDZBQOSA-N	2	0	287.451	2.322	40	0		CEABRP
[NH3+]CCN1CCC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079414732	363597126	/nfs/dbraw/zinc/59/71/26/363597126.db2.gz	IHLPMILTHBNGBH-QGZVFWFLSA-N	2	0	273.424	2.074	40	0		CEABRP
COc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1	ZINC000257695716	190038569	/nfs/dbraw/zinc/03/85/69/190038569.db2.gz	OTMFYKJXQBEAHP-UHFFFAOYSA-N	2	0	260.381	2.271	40	0		CEABRP
COc1ccc2c(c1)C[NH2+]C[C@]1(CCC[N@H+](C)CC1)O2	ZINC000019588837	394468381	/nfs/dbraw/zinc/46/83/81/394468381.db2.gz	ICJFGZFISQBMLX-MRXNPFEDSA-N	2	0	276.380	2.032	40	0		CEABRP
C[NH+](C)C[C@@H]1OC[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]12	ZINC000096056204	394675301	/nfs/dbraw/zinc/67/53/01/394675301.db2.gz	PMMKSRXZXJDXCO-OIISXLGYSA-N	2	0	292.398	2.224	40	0		CEABRP
[NH3+][C@H]1CCCC[C@@H]1N1CC[NH+](Cc2ccccc2)CC1	ZINC000040431791	174260383	/nfs/dbraw/zinc/26/03/83/174260383.db2.gz	DNIGNRKTSONDSF-IRXDYDNUSA-N	2	0	273.424	2.074	40	0		CEABRP
Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+](C)C)CO3)CC2)o1	ZINC000096047916	185072762	/nfs/dbraw/zinc/07/27/62/185072762.db2.gz	LYBSUYSHGDREIH-AWEZNQCLSA-N	2	0	278.396	2.273	40	0		CEABRP
COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH2+]CC2	ZINC000585103202	367178376	/nfs/dbraw/zinc/17/83/76/367178376.db2.gz	MYGZEHJZIHALQT-ZDUSSCGKSA-N	2	0	280.437	2.196	40	0		CEABRP
Cc1cc(N2CC[NH+](C)CC2)ncc1[C@H]([NH3+])c1ccccc1	ZINC000072223611	394594225	/nfs/dbraw/zinc/59/42/25/394594225.db2.gz	DTVAIGHJYZXREG-GOSISDBHSA-N	2	0	296.418	2.190	40	0		CEABRP
[NH3+]CCN1CCC(C[N@H+](Cc2ccccc2)C2CC2)CC1	ZINC000079414773	363597084	/nfs/dbraw/zinc/59/70/84/363597084.db2.gz	KIPFSXIFYAJYGZ-UHFFFAOYSA-N	2	0	287.451	2.322	40	0		CEABRP
COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccccc1C)C2	ZINC000096209612	364411822	/nfs/dbraw/zinc/41/18/22/364411822.db2.gz	ZWQIIRZOMQBFRO-ZWKOTPCHSA-N	2	0	288.435	2.395	40	0		CEABRP
COCC[N@@H+]1CC[C@@H]2C[NH+](CCc3ccccc3)C[C@@H]2C1	ZINC000063527345	362768745	/nfs/dbraw/zinc/76/87/45/362768745.db2.gz	HXICOGUCDBUBCO-MSOLQXFVSA-N	2	0	288.435	2.129	40	0		CEABRP
O=C1[C@@H](C[NH+]2CCCC2)CCC[C@H]1C[NH+]1CCCC1	ZINC000001640635	361213199	/nfs/dbraw/zinc/21/31/99/361213199.db2.gz	MWRINUZNYDPFBG-GASCZTMLSA-N	2	0	264.413	2.163	40	0		CEABRP
CC(C)[C@H]([NH3+])C(=O)N(C(C)C)[C@H]1CC[C@H]([NH+](C)C)CC1	ZINC000100177551	280271441	/nfs/dbraw/zinc/27/14/41/280271441.db2.gz	PONWLJVZGWCKJO-ZNMIVQPWSA-N	2	0	283.460	2.080	40	0		CEABRP
Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C)O[C@H]3C2)s1	ZINC000096056654	185077533	/nfs/dbraw/zinc/07/75/33/185077533.db2.gz	OYSKOGYAARAMPG-NFAWXSAZSA-N	2	0	280.437	2.207	40	0		CEABRP
COCC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1	ZINC000096062850	185083069	/nfs/dbraw/zinc/08/30/69/185083069.db2.gz	CQKDZYPAPWOEDK-UHFFFAOYSA-N	2	0	289.423	2.016	40	0		CEABRP
COc1cccc(C[N@@H+]2CCC3(CC([NH+](C)C)C3)C2)n1	ZINC000108526900	186220580	/nfs/dbraw/zinc/22/05/80/186220580.db2.gz	BXSXQAIPPVEUHY-UHFFFAOYSA-N	2	0	275.396	2.006	40	0		CEABRP
NC(=[NH2+])c1ccc(/C=C/c2ccc(C(N)=[NH2+])cc2)cc1	ZINC000000002079	283262384	/nfs/dbraw/zinc/26/23/84/283262384.db2.gz	MMURVNDSFNJHAM-OWOJBTEDSA-N	2	0	264.332	2.425	40	0	in-man	CEABRP
c1cc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)co1	ZINC000096206236	364411585	/nfs/dbraw/zinc/41/15/85/364411585.db2.gz	KWJPSRYSNHYJOB-IAGOWNOFSA-N	2	0	290.407	2.499	40	0		CEABRP
C[NH+](C)C[C@H]1CCC[C@]2(CC[N@H+](Cc3cccnc3)C2)O1	ZINC000096215254	364412706	/nfs/dbraw/zinc/41/27/06/364412706.db2.gz	NHQGKVYNZBSQTK-IAGOWNOFSA-N	2	0	289.423	2.157	40	0		CEABRP
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216598	394593034	/nfs/dbraw/zinc/59/30/34/394593034.db2.gz	HNVBLAOTGGDUMO-MRXNPFEDSA-N	2	0	288.439	2.380	40	0		CEABRP
CC[C@H]([NH3+])c1cnc(N2CC[NH+](C(C)C)CC2)c(C)c1	ZINC000072222671	394594635	/nfs/dbraw/zinc/59/46/35/394594635.db2.gz	LGJAGRIHMIOCND-HNNXBMFYSA-N	2	0	276.428	2.330	40	0		CEABRP
C[NH+](C)C[C@@H]1OC[C@@H]2C[N@H+](Cc3ccsc3)CC[C@H]12	ZINC000096057580	185077317	/nfs/dbraw/zinc/07/73/17/185077317.db2.gz	GQYAOYJVISIDGV-KKUMJFAQSA-N	2	0	280.437	2.147	40	0		CEABRP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+](C)C)OC[C@H]3C2)s1	ZINC000096056203	185078069	/nfs/dbraw/zinc/07/80/69/185078069.db2.gz	OLPSVGWCRZSDNB-BMFZPTHFSA-N	2	0	294.464	2.455	40	0		CEABRP
Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)oc1C	ZINC000107198955	186162793	/nfs/dbraw/zinc/16/27/93/186162793.db2.gz	ZLYZXPRVYQGAES-DLBZAZTESA-N	2	0	291.439	2.107	40	0		CEABRP
CCc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)o1	ZINC000096184308	364407280	/nfs/dbraw/zinc/40/72/80/364407280.db2.gz	ZHKNFAFYHDIQJB-IRXDYDNUSA-N	2	0	291.439	2.052	40	0		CEABRP
CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2O1	ZINC000096251654	364416753	/nfs/dbraw/zinc/41/67/53/364416753.db2.gz	QHWYUHPSNPBTHN-ZACQAIPSSA-N	2	0	289.423	2.011	40	0		CEABRP
CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216302	394593338	/nfs/dbraw/zinc/59/33/38/394593338.db2.gz	ADRUWRXIQFZWHP-MRXNPFEDSA-N	2	0	288.439	2.427	40	0		CEABRP
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216582	394593362	/nfs/dbraw/zinc/59/33/62/394593362.db2.gz	URPAHDFOTZAADV-INIZCTEOSA-N	2	0	288.439	2.379	40	0		CEABRP
Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)s1	ZINC000107198921	186162988	/nfs/dbraw/zinc/16/29/88/186162988.db2.gz	WCEFPOPPPVJBDH-JKSUJKDBSA-N	2	0	293.480	2.267	40	0		CEABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CC[NH3+]	ZINC000079414641	363597012	/nfs/dbraw/zinc/59/70/12/363597012.db2.gz	UPQBTMYCCOEVGC-KRWDZBQOSA-N	2	0	275.440	2.320	40	0		CEABRP
COc1ccc2c(c1)C[NH2+]C[C@@]1(CCC[N@H+](C)CC1)O2	ZINC000019588839	361545667	/nfs/dbraw/zinc/54/56/67/361545667.db2.gz	ICJFGZFISQBMLX-INIZCTEOSA-N	2	0	276.380	2.032	40	0		CEABRP
C(OC[C@@H]1CC2(C[N@@H+]1CC1CC1)CC[NH2+]CC2)C1CC1	ZINC000096218499	364413402	/nfs/dbraw/zinc/41/34/02/364413402.db2.gz	UZNRHYWSGYFVTI-INIZCTEOSA-N	2	0	278.440	2.267	40	0		CEABRP
Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](C3CCOCC3)C2)[nH+]1	ZINC000257286877	190027214	/nfs/dbraw/zinc/02/72/14/190027214.db2.gz	PNKXYOVGDRLZPD-CQSZACIVSA-N	2	0	289.423	2.424	40	0		CEABRP
[NH3+]Cc1ccc(-c2nnc(-c3ccc(C[NH3+])cc3)o2)cc1	ZINC000073634493	394603693	/nfs/dbraw/zinc/60/36/93/394603693.db2.gz	LVYWXGZBSZASBF-UHFFFAOYSA-N	2	0	280.331	2.321	40	0		CEABRP
C[NH+](C)C[C@H]1CCC[C@@H](C[NH+]2CCCCC2)C1=O	ZINC000001670780	282134374	/nfs/dbraw/zinc/13/43/74/282134374.db2.gz	FIDWOYJZBJLWKW-KGLIPLIRSA-N	2	0	252.402	2.019	40	0		CEABRP
[NH3+]CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079393648	363596094	/nfs/dbraw/zinc/59/60/94/363596094.db2.gz	RIQXBDQAYAJPHI-QGZVFWFLSA-N	2	0	287.451	2.322	40	0		CEABRP
Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)s1	ZINC000096184310	364407237	/nfs/dbraw/zinc/40/72/37/364407237.db2.gz	WCEFPOPPPVJBDH-HOTGVXAUSA-N	2	0	293.480	2.267	40	0		CEABRP
Cc1cccc(N2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1	ZINC000257279963	371610687	/nfs/dbraw/zinc/61/06/87/371610687.db2.gz	OIXLGPKXHWCVRD-HNNXBMFYSA-N	2	0	298.390	2.205	40	0		CEABRP
CC[NH+](CC)CCC[NH2+]C[C@@H](C)C(=O)OC(C)(C)C	ZINC000047219142	362201926	/nfs/dbraw/zinc/20/19/26/362201926.db2.gz	UMTOVYSHWDTEIK-CYBMUJFWSA-N	2	0	272.433	2.286	40	0		CEABRP
CC[NH+](CC)[C@]1([C@@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351179	344534887	/nfs/dbraw/zinc/53/48/87/344534887.db2.gz	MYMMFPISRPMSER-OTRWWLKZSA-N	2	0	282.472	2.480	40	0		CEABRP
c1ccc(C[N@@H+]2CCOC3(C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1	ZINC000231560827	344575015	/nfs/dbraw/zinc/57/50/15/344575015.db2.gz	AUVBBPRQWVVQSA-SJPCQFCGSA-N	2	0	272.392	2.172	40	0		CEABRP
CNc1cc(C)[nH+]c([C@@H]2CN(c3ccnc(C)n3)CCO2)c1	ZINC000257241778	371610775	/nfs/dbraw/zinc/61/07/75/371610775.db2.gz	HZOGDGDBZVPGOA-HNNXBMFYSA-N	2	0	299.378	2.108	40	0		CEABRP
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216285	394592920	/nfs/dbraw/zinc/59/29/20/394592920.db2.gz	PBTFXAXBUIHEFT-MRXNPFEDSA-N	2	0	288.439	2.284	40	0		CEABRP
CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216345	394593454	/nfs/dbraw/zinc/59/34/54/394593454.db2.gz	UQRPQPLDFFLFGY-MRXNPFEDSA-N	2	0	288.439	2.284	40	0		CEABRP
CC[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCC[NH+](C)C)C2	ZINC000096089831	394677089	/nfs/dbraw/zinc/67/70/89/394677089.db2.gz	YVLONVXWSIRREV-LSDHHAIUSA-N	2	0	254.418	2.219	40	0		CEABRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@]1(O)CC[NH2+]Cc1ccccc1	ZINC000004785488	170016780	/nfs/dbraw/zinc/01/67/80/170016780.db2.gz	JKYJLJRYZGZWSE-VYDXJSESSA-N	2	0	276.424	2.258	40	0		CEABRP
Cc1nc[nH]c1C[N@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257259966	190022114	/nfs/dbraw/zinc/02/21/14/190022114.db2.gz	LAULCXXCYZCAKI-CQSZACIVSA-N	2	0	299.422	2.477	40	0		CEABRP
C[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccc(Br)cc2)C1	ZINC000225607417	394469327	/nfs/dbraw/zinc/46/93/27/394469327.db2.gz	GDNNHXYGJATDLO-CMPLNLGQSA-N	2	0	269.186	2.053	40	0		CEABRP
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216583	394593479	/nfs/dbraw/zinc/59/34/79/394593479.db2.gz	CTMNVLLKNHPFBN-MRXNPFEDSA-N	2	0	288.439	2.380	40	0		CEABRP
CC(C)N(CC[NH3+])C[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000079393607	363593786	/nfs/dbraw/zinc/59/37/86/363593786.db2.gz	CIRGXAUYDVEXDX-KRWDZBQOSA-N	2	0	275.440	2.320	40	0		CEABRP
COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1sccc1C)C2	ZINC000096209616	364412055	/nfs/dbraw/zinc/41/20/55/364412055.db2.gz	JCWZMNMZPIKEIM-GOEBONIOSA-N	2	0	294.464	2.457	40	0		CEABRP
[NH3+]CCN(C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393638	394631437	/nfs/dbraw/zinc/63/14/37/394631437.db2.gz	CRCGYKIBBHDDOT-KRWDZBQOSA-N	2	0	273.424	2.074	40	0		CEABRP
CC[NH+]1CCC2(CC1)C[NH2+]Cc1cc(C)ccc1O2	ZINC000019527066	276360458	/nfs/dbraw/zinc/36/04/58/276360458.db2.gz	NMIXBZINMZVHTM-UHFFFAOYSA-N	2	0	260.381	2.332	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1	ZINC000079414234	363597550	/nfs/dbraw/zinc/59/75/50/363597550.db2.gz	DWBSPPGLQITDLM-UHFFFAOYSA-N	2	0	276.424	2.213	40	0		CEABRP
C[NH2+]CCC1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000015424041	361472882	/nfs/dbraw/zinc/47/28/82/361472882.db2.gz	MHGCATGNYLJQKQ-UHFFFAOYSA-N	2	0	276.380	2.237	40	0		CEABRP
Cn1cc(C[NH+]2CCC3(CC2)C[NH2+]Cc2ccccc23)cn1	ZINC000096079608	364399380	/nfs/dbraw/zinc/39/93/80/364399380.db2.gz	XSFARVXISXEOQN-UHFFFAOYSA-N	2	0	296.418	2.057	40	0		CEABRP
C[NH+](C)C[C@H]1CCC[C@H](C[NH+]2CCCCC2)C1=O	ZINC000001670782	289211733	/nfs/dbraw/zinc/21/17/33/289211733.db2.gz	FIDWOYJZBJLWKW-ZIAGYGMSSA-N	2	0	252.402	2.019	40	0		CEABRP
CC[NH+](CC)CCC[NH2+]CCC(=O)OC(C)(C)C	ZINC000047219002	362201910	/nfs/dbraw/zinc/20/19/10/362201910.db2.gz	GOECRJWTZXAXKZ-UHFFFAOYSA-N	2	0	258.406	2.040	40	0		CEABRP
CC[NH+](CC)CC[C@H]1C[N@H+](CC2CC2)Cc2ccnn21	ZINC000585112132	345006045	/nfs/dbraw/zinc/00/60/45/345006045.db2.gz	IMLUIIWVBYKXKK-INIZCTEOSA-N	2	0	276.428	2.382	40	0		CEABRP
CC[NH+](CC)[C@@]1([C@@H](C[NH3+])CO)C[C@H]2CC[C@]1(C)C2(C)C	ZINC000072210467	394592333	/nfs/dbraw/zinc/59/23/33/394592333.db2.gz	MYMMFPISRPMSER-YALNPMBYSA-N	2	0	282.472	2.480	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+]	ZINC000079414601	276354692	/nfs/dbraw/zinc/35/46/92/276354692.db2.gz	CJPHMPTURRGGLP-KRWDZBQOSA-N	2	0	275.440	2.322	40	0		CEABRP
C[NH+](C)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000096047909	185072797	/nfs/dbraw/zinc/07/27/97/185072797.db2.gz	CHWNFETVGAHJLI-ZDUSSCGKSA-N	2	0	280.437	2.433	40	0		CEABRP
CC[NH+](CC)CCOC(=O)CC[NH+]1CC2CCC(CC2)C1	ZINC000001639067	361214035	/nfs/dbraw/zinc/21/40/35/361214035.db2.gz	FCTCXMHQEXACJY-UHFFFAOYSA-N	2	0	296.455	2.384	40	0		CEABRP
c1ccc(N2CC[NH+](C3[C@@H]4CCC[C@H]3C[NH2+]C4)CC2)cc1	ZINC000019372972	361529731	/nfs/dbraw/zinc/52/97/31/361529731.db2.gz	ARXWSAZGRNWATQ-BYICEURKSA-N	2	0	285.435	2.197	40	0		CEABRP
C1CCC([NH+]2CCN(C3[C@@H]4CCC[C@H]3C[NH2+]C4)CC2)CC1	ZINC000023089281	361593995	/nfs/dbraw/zinc/59/39/95/361593995.db2.gz	BJVYROSUPPUVKH-BYICEURKSA-N	2	0	291.483	2.325	40	0		CEABRP
Cc1ccc2c(c1)C1(C[C@H]2[NH+]2CCOCC2)CC[NH2+]CC1	ZINC000096241752	364415775	/nfs/dbraw/zinc/41/57/75/364415775.db2.gz	OICVZJXFMFNBDD-QGZVFWFLSA-N	2	0	286.419	2.393	40	0		CEABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1	ZINC000257260580	190022772	/nfs/dbraw/zinc/02/27/72/190022772.db2.gz	LDMOBGOKPDXOHB-AWEZNQCLSA-N	2	0	288.439	2.315	40	0		CEABRP
CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216346	394593555	/nfs/dbraw/zinc/59/35/55/394593555.db2.gz	UQRPQPLDFFLFGY-INIZCTEOSA-N	2	0	288.439	2.284	40	0		CEABRP
Cc1nc(N2CC[NH+](C)CC2)ccc1[C@H]([NH3+])c1ccccc1	ZINC000072224656	394594441	/nfs/dbraw/zinc/59/44/41/394594441.db2.gz	KBPQFABCQAIEIG-GOSISDBHSA-N	2	0	296.418	2.190	40	0		CEABRP
NC(=[NH2+])c1ccc2cc(C3=CCC(C(N)=[NH2+])=CC3)[nH]c2c1	ZINC000071404918	274932140	/nfs/dbraw/zinc/93/21/40/274932140.db2.gz	OGPLKZSLSNOZOV-UHFFFAOYSA-N	2	0	279.347	2.492	40	0		CEABRP
C[NH+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCC[NH2+]C1	ZINC000019583368	361545283	/nfs/dbraw/zinc/54/52/83/361545283.db2.gz	AIAXAFLQWGIDLF-LLVKDONJSA-N	2	0	258.369	2.092	40	0		CEABRP
CCC[C@@]12C[NH2+]C[C@@](CCC)(C[N@H+](CC(C)C)C1)[C@H]2O	ZINC000100795077	364550701	/nfs/dbraw/zinc/55/07/01/364550701.db2.gz	GMWSLXRQAAJTGS-BJWYYQGGSA-N	2	0	282.472	2.495	40	0		CEABRP
COc1ccc(OC)c2c(NCCC[NH3+])cc(C)[nH+]c12	ZINC000222691404	370257087	/nfs/dbraw/zinc/25/70/87/370257087.db2.gz	NOWYURWEOAXAQN-UHFFFAOYSA-N	2	0	275.352	2.321	40	0		CEABRP
CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)c1	ZINC000257217218	190013774	/nfs/dbraw/zinc/01/37/74/190013774.db2.gz	CYBRFAPCIWITOP-AWEZNQCLSA-N	2	0	285.395	2.155	40	0		CEABRP
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216358	394593270	/nfs/dbraw/zinc/59/32/70/394593270.db2.gz	VCOMEWIGXBHYGH-OAHLLOKOSA-N	2	0	274.412	2.038	40	0		CEABRP
CC[C@H]([NH3+])c1ccc(N2CC[NH+](C(C)C)CC2)nc1	ZINC000072225618	394595342	/nfs/dbraw/zinc/59/53/42/394595342.db2.gz	LVZQVIWOYDHWQX-AWEZNQCLSA-N	2	0	262.401	2.022	40	0		CEABRP
[NH3+]CCN(C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000079393640	295232159	/nfs/dbraw/zinc/23/21/59/295232159.db2.gz	CRCGYKIBBHDDOT-QGZVFWFLSA-N	2	0	273.424	2.074	40	0		CEABRP
CC[NH+](CC)[C@@]1([C@H](C[NH3+])CO)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000225467487	344545816	/nfs/dbraw/zinc/54/58/16/344545816.db2.gz	MYMMFPISRPMSER-HDEZJCGLSA-N	2	0	282.472	2.480	40	0		CEABRP
COC[C@@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1ccc(C)s1)C2	ZINC000096218023	364413348	/nfs/dbraw/zinc/41/33/48/364413348.db2.gz	NCAOHZAKRYPZIM-GOEBONIOSA-N	2	0	294.464	2.457	40	0		CEABRP
C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](C3CC3)[C@@H]2C1	ZINC000409427688	375524379	/nfs/dbraw/zinc/52/43/79/375524379.db2.gz	BUHGYPQOLLDKKM-BRWVUGGUSA-N	2	0	256.393	2.459	40	0		CEABRP
CC1(C)[C@@H]2CC[C@@]1(C)[C@@]([C@@H](C[NH3+])CO)([NH+]1CCCC1)C2	ZINC000072210469	394592128	/nfs/dbraw/zinc/59/21/28/394592128.db2.gz	HBUPWEWXZGYSEF-YALNPMBYSA-N	2	0	280.456	2.234	40	0		CEABRP
CC[C@@H](O)[C@](CC[NH+](C)C)(C[NH+](C)C)c1ccccc1	ZINC000001717952	286949126	/nfs/dbraw/zinc/94/91/26/286949126.db2.gz	MXIQJUFQWBZITO-IAGOWNOFSA-N	2	0	278.440	2.209	40	0		CEABRP
Cc1nc[nH]c1C[N@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1	ZINC000257259965	282139574	/nfs/dbraw/zinc/13/95/74/282139574.db2.gz	LAULCXXCYZCAKI-AWEZNQCLSA-N	2	0	299.422	2.477	40	0		CEABRP
CC[NH+](CC)CC[C@H]1C[N@@H+](C(C)C)Cc2ccnn21	ZINC000585111854	345005687	/nfs/dbraw/zinc/00/56/87/345005687.db2.gz	CWVOWYHKIKGTKU-HNNXBMFYSA-N	2	0	264.417	2.380	40	0		CEABRP
CC[NH+](CC)CC[C@@H]1C[N@@H+](C(C)C)Cc2ccnn21	ZINC000585111856	345006088	/nfs/dbraw/zinc/00/60/88/345006088.db2.gz	CWVOWYHKIKGTKU-OAHLLOKOSA-N	2	0	264.417	2.380	40	0		CEABRP
C[N@H+](Cc1cccs1)[C@H]1COC2(C1)CC[NH2+]CC2	ZINC000306127163	376541580	/nfs/dbraw/zinc/54/15/80/376541580.db2.gz	FQEXPJCMXSFAKG-GFCCVEGCSA-N	2	0	266.410	2.091	40	0		CEABRP
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216360	394593649	/nfs/dbraw/zinc/59/36/49/394593649.db2.gz	LHGHYJUMRXLMSV-MRXNPFEDSA-N	2	0	288.439	2.428	40	0		CEABRP
Cc1ncsc1C[N@H+]1CCC2(CC([NH+](C)C)C2)C1	ZINC000108524465	186220702	/nfs/dbraw/zinc/22/07/02/186220702.db2.gz	KZGPWNQUGBLLKC-UHFFFAOYSA-N	2	0	265.426	2.368	40	0		CEABRP
[NH3+]CCN(C1CC1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000079393641	363594597	/nfs/dbraw/zinc/59/45/97/363594597.db2.gz	UFECBUBSKYACIH-UHFFFAOYSA-N	2	0	273.424	2.074	40	0		CEABRP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216299	256710346	/nfs/dbraw/zinc/71/03/46/256710346.db2.gz	JWCDTQRQUQFQST-HNNXBMFYSA-N	2	0	274.412	2.038	40	0		CEABRP
CC[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+]	ZINC000079414608	276142354	/nfs/dbraw/zinc/14/23/54/276142354.db2.gz	CJPHMPTURRGGLP-QGZVFWFLSA-N	2	0	275.440	2.322	40	0		CEABRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@]1(O)CC[NH2+]Cc1ccccc1	ZINC000002260874	361231847	/nfs/dbraw/zinc/23/18/47/361231847.db2.gz	JKYJLJRYZGZWSE-HLLBOEOZSA-N	2	0	276.424	2.258	40	0		CEABRP
[NH3+]C[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)c(F)c3)C[C@H]21	ZINC000247636761	371131142	/nfs/dbraw/zinc/13/11/42/371131142.db2.gz	FAAZCSOJONMFIE-RTCCRHLQSA-N	2	0	254.736	2.116	40	0		CEABRP
CC[C@H]1CO[C@]2(C1)CCC[N@H+](CCC[NH+](C)C)C2	ZINC000096089832	394676982	/nfs/dbraw/zinc/67/69/82/394676982.db2.gz	YVLONVXWSIRREV-CABCVRRESA-N	2	0	254.418	2.219	40	0		CEABRP
c1cc[n+](Cc2ccccc2C[n+]2ccccc2)cc1	ZINC000027232785	171511705	/nfs/dbraw/zinc/51/17/05/171511705.db2.gz	ZDDQSNVWQNIFDW-UHFFFAOYSA-N	2	0	262.356	2.358	40	0		CEABRP
Cc1[nH+]c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c2ccccn12	ZINC000072397557	176394937	/nfs/dbraw/zinc/39/49/37/176394937.db2.gz	IFBMKCAVZBSSAN-UKRRQHHQSA-N	2	0	284.407	2.311	40	0		CEABRP