smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]([NH2+]Cc1ccccc1Cl)c1ccccc1Br	ZINC000019908233	182162976	/nfs/dbraw/zinc/16/29/76/182162976.db2.gz	PNOAARZJZHCDAY-NSHDSACASA-N	1	1	324.649	4.953	10	0		DJAEMO
C[C@H]([NH2+]Cc1ccccc1Br)c1ccccc1Cl	ZINC000020124117	182189888	/nfs/dbraw/zinc/18/98/88/182189888.db2.gz	DEXIHVJLFTYEHS-NSHDSACASA-N	1	1	324.649	4.953	10	0		DJAEMO
Cc1ccc2oc([C@@H]([NH3+])c3ccc(Br)cc3)cc2c1	ZINC000020389402	182213319	/nfs/dbraw/zinc/21/33/19/182213319.db2.gz	BVSLVJJMTTZPIM-INIZCTEOSA-N	1	1	316.198	4.552	10	0		DJAEMO
Cc1ccc2cc([C@@H]([NH3+])c3ccc(Br)cc3)oc2c1	ZINC000020389312	182213650	/nfs/dbraw/zinc/21/36/50/182213650.db2.gz	PJUVLTRYAAHOBD-INIZCTEOSA-N	1	1	316.198	4.552	10	0		DJAEMO
CCOc1ccc(-c2cncc(C[N@H+]3CCCC[C@@H]3C)c2)cc1	ZINC000037554220	182906700	/nfs/dbraw/zinc/90/67/00/182906700.db2.gz	ABGVOULXCPSINF-INIZCTEOSA-N	1	1	310.441	4.522	10	0		DJAEMO
CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)c2nccs2)cc1	ZINC000080289656	331684387	/nfs/dbraw/zinc/68/43/87/331684387.db2.gz	HFXFGTJRCOOHLC-UONOGXRCSA-N	1	1	304.459	4.590	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)o1	ZINC000091264917	332102638	/nfs/dbraw/zinc/10/26/38/332102638.db2.gz	MRXQCKGPSBUUQW-NEPJUHHUSA-N	1	1	317.820	4.540	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)o1	ZINC000091264920	332102676	/nfs/dbraw/zinc/10/26/76/332102676.db2.gz	MRXQCKGPSBUUQW-NWDGAFQWSA-N	1	1	317.820	4.540	10	0		DJAEMO
C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000048777322	334296277	/nfs/dbraw/zinc/29/62/77/334296277.db2.gz	ZWQDYLUEFYKVPV-SNVBAGLBSA-N	1	1	320.223	4.721	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3s2)cc1F	ZINC000094836728	335755651	/nfs/dbraw/zinc/75/56/51/335755651.db2.gz	RFHQODPATDIYGE-LBPRGKRZSA-N	1	1	300.402	4.595	10	0		DJAEMO
CC[C@@H](Nc1cc(C)[nH+]c2c(OC)cccc12)c1ccncc1	ZINC000301685035	336323309	/nfs/dbraw/zinc/32/33/09/336323309.db2.gz	UFTLPZJCXDZUSI-MRXNPFEDSA-N	1	1	307.397	4.510	10	0		DJAEMO
COc1ccccc1[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000178609225	337165424	/nfs/dbraw/zinc/16/54/24/337165424.db2.gz	JKXCBZCOBAZPQH-HRAATJIYSA-N	1	1	318.420	4.530	10	0		DJAEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1	ZINC000179119947	337168008	/nfs/dbraw/zinc/16/80/08/337168008.db2.gz	FNEYIKPBTBFTPZ-AUUYWEPGSA-N	1	1	323.827	4.570	10	0		DJAEMO
CC[C@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1	ZINC000184043969	337196934	/nfs/dbraw/zinc/19/69/34/337196934.db2.gz	AOUXEGQQRCTQDJ-JSGCOSHPSA-N	1	1	313.426	4.600	10	0		DJAEMO
Cc1cccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1C	ZINC000186048261	337253078	/nfs/dbraw/zinc/25/30/78/337253078.db2.gz	QZJDJCFSGUSSMJ-KRWDZBQOSA-N	1	1	317.436	4.611	10	0		DJAEMO
CCCCC[N@H+]1CC[C@](CC(C)C)(c2cccc(OC)c2)C1	ZINC000584650411	337380730	/nfs/dbraw/zinc/38/07/30/337380730.db2.gz	IANBACCZCHUDLU-HXUWFJFHSA-N	1	1	303.490	4.875	10	0		DJAEMO
CCC[C@@]1(c2cccc(O)c2)CC[N@@H+](CC2CCCCC2)C1	ZINC000584650692	337380900	/nfs/dbraw/zinc/38/09/00/337380900.db2.gz	MRZPLCRYKHVTBT-HXUWFJFHSA-N	1	1	301.474	4.716	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2Br)o1	ZINC000036945594	337800447	/nfs/dbraw/zinc/80/04/47/337800447.db2.gz	RKAMUQJUZOVWES-VXGBXAGGSA-N	1	1	308.219	4.762	10	0		DJAEMO
C[C@H](Nc1cc[nH+]cc1Br)c1ccc(Cl)s1	ZINC000159829924	338533037	/nfs/dbraw/zinc/53/30/37/338533037.db2.gz	XVIBXHQOXOWRHV-ZETCQYMHSA-N	1	1	317.639	4.732	10	0		DJAEMO
Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)n1	ZINC000245496825	341297461	/nfs/dbraw/zinc/29/74/61/341297461.db2.gz	SEYDYJRCBUOGAJ-ZBFHGGJFSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@H]2c2ccco2)n1	ZINC000245496825	341297462	/nfs/dbraw/zinc/29/74/62/341297462.db2.gz	SEYDYJRCBUOGAJ-ZBFHGGJFSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccc2C)n1	ZINC000175173040	341835716	/nfs/dbraw/zinc/83/57/16/341835716.db2.gz	VKYTZPWZNJQILT-NRFANRHFSA-N	1	1	302.421	4.578	10	0		DJAEMO
Cc1cccc(C[NH2+]Cc2c(Cl)cccc2SC(C)C)n1	ZINC000192478717	341841041	/nfs/dbraw/zinc/84/10/41/341841041.db2.gz	QEYLFESWPRFNEM-UHFFFAOYSA-N	1	1	320.889	4.834	10	0		DJAEMO
C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(C2CCCCC2)cc1	ZINC000164727856	525640468	/nfs/dbraw/zinc/64/04/68/525640468.db2.gz	NXPUCSYHPXXPOA-DNVCBOLYSA-N	1	1	324.472	4.512	10	0		DJAEMO
Fc1ccc(C[N@H+](C/C=C/c2ccco2)Cc2ccncc2)cc1	ZINC000055568853	563475984	/nfs/dbraw/zinc/47/59/84/563475984.db2.gz	RBQAYPFYKYYDGS-HNQUOIGGSA-N	1	1	322.383	4.529	10	0		DJAEMO
Fc1ccc(C[N@@H+](C/C=C/c2ccco2)Cc2ccncc2)cc1	ZINC000055568853	563475991	/nfs/dbraw/zinc/47/59/91/563475991.db2.gz	RBQAYPFYKYYDGS-HNQUOIGGSA-N	1	1	322.383	4.529	10	0		DJAEMO
Cc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)c2ccccc2)s1	ZINC000036101641	563893662	/nfs/dbraw/zinc/89/36/62/563893662.db2.gz	UNHPBPXFWWRQLE-LJQANCHMSA-N	1	1	317.498	4.638	10	0		DJAEMO
CCCn1c(C)cc2cc[nH+]c(NCc3ccc(F)cc3C)c21	ZINC000146402903	186038325	/nfs/dbraw/zinc/03/83/25/186038325.db2.gz	VMMUHXBFVURQAQ-UHFFFAOYSA-N	1	1	311.404	4.814	10	0		DJAEMO
CCCCC[C@H]1CCCC[N@H+]1CCCOC(=O)c1ccccc1	ZINC000005513440	181251904	/nfs/dbraw/zinc/25/19/04/181251904.db2.gz	SRZOHCZNOHUVHY-IBGZPJMESA-N	1	1	317.473	4.668	10	0		DJAEMO
Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(Br)cc1	ZINC000020592935	182236066	/nfs/dbraw/zinc/23/60/66/182236066.db2.gz	GSSOGVXISXCODJ-OAHLLOKOSA-N	1	1	316.198	4.552	10	0		DJAEMO
Cc1cccc2c(Nc3ccc(C(=O)OC(C)C)cc3)cc[nH+]c12	ZINC000041055203	183159581	/nfs/dbraw/zinc/15/95/81/183159581.db2.gz	MARFJTGGQFHXIX-UHFFFAOYSA-N	1	1	320.392	4.852	10	0		DJAEMO
C[C@@H]([N@H+](C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C	ZINC000042774093	183306894	/nfs/dbraw/zinc/30/68/94/183306894.db2.gz	KPIPGTAUPFFTGU-MRVPVSSYSA-N	1	1	308.274	4.604	10	0		DJAEMO
C[C@@H]([N@@H+](C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C	ZINC000042774093	183306896	/nfs/dbraw/zinc/30/68/96/183306896.db2.gz	KPIPGTAUPFFTGU-MRVPVSSYSA-N	1	1	308.274	4.604	10	0		DJAEMO
C[C@H]([N@H+](C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C	ZINC000042773777	183306956	/nfs/dbraw/zinc/30/69/56/183306956.db2.gz	JEZQJXIGVMOPOT-JTQLQIEISA-N	1	1	302.245	4.543	10	0		DJAEMO
C[C@H]([N@@H+](C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C	ZINC000042773777	183306958	/nfs/dbraw/zinc/30/69/58/183306958.db2.gz	JEZQJXIGVMOPOT-JTQLQIEISA-N	1	1	302.245	4.543	10	0		DJAEMO
[NH3+][C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	ZINC000058432842	184117799	/nfs/dbraw/zinc/11/77/99/184117799.db2.gz	FTKGBBSKDCVRGV-HNNXBMFYSA-N	1	1	300.814	4.512	10	0		DJAEMO
[NH3+][C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1	ZINC000058432844	184117910	/nfs/dbraw/zinc/11/79/10/184117910.db2.gz	FTKGBBSKDCVRGV-OAHLLOKOSA-N	1	1	300.814	4.512	10	0		DJAEMO
CCc1ccc2[nH+]ccc(Nc3ccc(OC)cc3OC)c2c1	ZINC000065005400	184308432	/nfs/dbraw/zinc/30/84/32/184308432.db2.gz	UDGXUEWDJLFPNZ-UHFFFAOYSA-N	1	1	308.381	4.558	10	0		DJAEMO
C[C@@H]1CC[N@@H+]([C@H](c2ccccc2)[C@H](O)c2ccccc2)[C@H](C)C1	ZINC000100363654	257232238	/nfs/dbraw/zinc/23/22/38/257232238.db2.gz	QMSHXKQCTXFXMH-DEPWHIHDSA-N	1	1	309.453	4.582	10	0		DJAEMO
CC[N@@H+](Cc1ccccc1C)[C@@H](C)c1nnc(-c2ccccc2)o1	ZINC000101726255	334351065	/nfs/dbraw/zinc/35/10/65/334351065.db2.gz	ZWPYEVJSYOYWOL-INIZCTEOSA-N	1	1	321.424	4.628	10	0		DJAEMO
CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1F	ZINC000178273298	337161812	/nfs/dbraw/zinc/16/18/12/337161812.db2.gz	OUQZNGLAUNJWOB-SJORKVTESA-N	1	1	303.352	4.529	10	0		DJAEMO
CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1F	ZINC000178273255	337161851	/nfs/dbraw/zinc/16/18/51/337161851.db2.gz	OUQZNGLAUNJWOB-DLBZAZTESA-N	1	1	303.352	4.529	10	0		DJAEMO
COc1ccccc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000178609211	337165455	/nfs/dbraw/zinc/16/54/55/337165455.db2.gz	JKXCBZCOBAZPQH-IERDGZPVSA-N	1	1	318.420	4.530	10	0		DJAEMO
C[C@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1cccs1	ZINC000181895356	337185193	/nfs/dbraw/zinc/18/51/93/337185193.db2.gz	JSKGFDMZXHTHHG-NSHDSACASA-N	1	1	318.829	4.907	10	0		DJAEMO
CC[C@@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1	ZINC000184034120	337194638	/nfs/dbraw/zinc/19/46/38/337194638.db2.gz	BMMWSOMISNEPAD-GXTWGEPZSA-N	1	1	313.426	4.600	10	0		DJAEMO
CC[C@H]([NH2+][C@H](C)c1nc(-c2ccccc2)no1)c1cccs1	ZINC000184044005	337196997	/nfs/dbraw/zinc/19/69/97/337196997.db2.gz	AOUXEGQQRCTQDJ-OCCSQVGLSA-N	1	1	313.426	4.600	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1nc2ccccc2n1C	ZINC000036992156	340729426	/nfs/dbraw/zinc/72/94/26/340729426.db2.gz	LHQYLLNJVPKQNI-WDEREUQCSA-N	1	1	319.861	4.700	10	0		DJAEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl	ZINC000247537312	341366764	/nfs/dbraw/zinc/36/67/64/341366764.db2.gz	COXFYFYEYURLKS-CXAGYDPISA-N	1	1	317.864	4.588	10	0		DJAEMO
C[C@@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21	ZINC000249192019	341395095	/nfs/dbraw/zinc/39/50/95/341395095.db2.gz	OKBUKWWFPCCYOW-UIAACRFSSA-N	1	1	317.436	4.727	10	0		DJAEMO
CCCCNc1c(C(=O)c2ccccc2)c[nH+]c2ccccc21	ZINC000085346432	520695804	/nfs/dbraw/zinc/69/58/04/520695804.db2.gz	RJSFNWTXDORQJE-UHFFFAOYSA-N	1	1	304.393	4.678	10	0		DJAEMO
CS[C@H](C)CC[N@@H+](Cc1sccc1C)Cc1ccccn1	ZINC000055109314	563471883	/nfs/dbraw/zinc/47/18/83/563471883.db2.gz	FCFZAVOXXWLUNX-OAHLLOKOSA-N	1	1	320.527	4.595	10	0		DJAEMO
COC(=O)c1cccc(Nc2cc[nH+]c3c2cccc3C(C)C)c1	ZINC000072236873	191081102	/nfs/dbraw/zinc/08/11/02/191081102.db2.gz	LZXZPJKKQSGRPL-UHFFFAOYSA-N	1	1	320.392	4.888	10	0		DJAEMO
COc1ccc(C[C@H]2C(C)=C(C)CC[N@@H+]2Cc2ccccc2)cc1	ZINC000005766501	181282271	/nfs/dbraw/zinc/28/22/71/181282271.db2.gz	FGVXHUJLIAKCEK-QFIPXVFZSA-N	1	1	321.464	4.849	10	0		DJAEMO
COc1ccc(C[N@@H+](C)C(C)C)cc1-c1cnc2ccccc2c1	ZINC000006750835	181383118	/nfs/dbraw/zinc/38/31/18/181383118.db2.gz	ROFISLDTDLEKHC-UHFFFAOYSA-N	1	1	320.436	4.751	10	0		DJAEMO
Cc1ccc2cc([C@H]([NH3+])c3ccc(Br)cc3)oc2c1	ZINC000020389318	182213564	/nfs/dbraw/zinc/21/35/64/182213564.db2.gz	PJUVLTRYAAHOBD-MRXNPFEDSA-N	1	1	316.198	4.552	10	0		DJAEMO
CC(C)C[C@@H](C)[N@H+](C)CC(=O)c1cc(Cl)sc1Cl	ZINC000042586572	183287992	/nfs/dbraw/zinc/28/79/92/183287992.db2.gz	SJPWJCSBFDQNAL-SECBINFHSA-N	1	1	308.274	4.604	10	0		DJAEMO
CC(C)C[C@@H](C)[N@@H+](C)CC(=O)c1cc(Cl)sc1Cl	ZINC000042586572	183287993	/nfs/dbraw/zinc/28/79/93/183287993.db2.gz	SJPWJCSBFDQNAL-SECBINFHSA-N	1	1	308.274	4.604	10	0		DJAEMO
Cc1ccccc1[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1	ZINC000181061701	332173572	/nfs/dbraw/zinc/17/35/72/332173572.db2.gz	FNGVYOXJBITEJJ-HXUWFJFHSA-N	1	1	322.839	4.923	10	0		DJAEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1	ZINC000173381948	337134943	/nfs/dbraw/zinc/13/49/43/337134943.db2.gz	UBJJUGHVTBRGPL-JLTOFOAXSA-N	1	1	324.374	4.800	10	0		DJAEMO
Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1	ZINC000584624952	337375290	/nfs/dbraw/zinc/37/52/90/337375290.db2.gz	RPLIZPPYRXCFMZ-ZBFHGGJFSA-N	1	1	315.354	4.770	10	0		DJAEMO
CC(C)c1[nH+]ccn1Cc1cccc(N[C@@H](C)c2ccncc2)c1	ZINC000179929436	519880217	/nfs/dbraw/zinc/88/02/17/519880217.db2.gz	ABBOBEHIHOCDNK-INIZCTEOSA-N	1	1	320.440	4.623	10	0		DJAEMO
C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cncn2C2CCCC2)C1	ZINC000091445273	193057028	/nfs/dbraw/zinc/05/70/28/193057028.db2.gz	QCSFEANHQDKXNK-OAQYLSRUSA-N	1	1	323.484	4.552	10	0		DJAEMO
C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cncn2C2CCCC2)C1	ZINC000091445272	193056574	/nfs/dbraw/zinc/05/65/74/193056574.db2.gz	QCSFEANHQDKXNK-NRFANRHFSA-N	1	1	323.484	4.552	10	0		DJAEMO
CC[N@@H+]([C@@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1	ZINC000019230817	182109638	/nfs/dbraw/zinc/10/96/38/182109638.db2.gz	WQHDZTDRFIEOMQ-INIZCTEOSA-N	1	1	315.288	4.648	10	0		DJAEMO
CCN([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1	ZINC000019230817	182109639	/nfs/dbraw/zinc/10/96/39/182109639.db2.gz	WQHDZTDRFIEOMQ-INIZCTEOSA-N	1	1	315.288	4.648	10	0		DJAEMO
C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccc(Cl)s1	ZINC000093115588	333703167	/nfs/dbraw/zinc/70/31/67/333703167.db2.gz	ZLMOAYYREMNPQD-SSDOTTSWSA-N	1	1	305.752	4.670	10	0		DJAEMO
CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cc(F)ccc1F	ZINC000178273284	337161889	/nfs/dbraw/zinc/16/18/89/337161889.db2.gz	OUQZNGLAUNJWOB-IRXDYDNUSA-N	1	1	303.352	4.529	10	0		DJAEMO
COc1ccccc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000178609198	337165479	/nfs/dbraw/zinc/16/54/79/337165479.db2.gz	JKXCBZCOBAZPQH-KKSFZXQISA-N	1	1	318.420	4.530	10	0		DJAEMO
CCc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)o1	ZINC000178615102	337165655	/nfs/dbraw/zinc/16/56/55/337165655.db2.gz	GDLFCHZUPYTEBI-FOIQADDNSA-N	1	1	306.409	4.677	10	0		DJAEMO
CC[C@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)c1cccs1	ZINC000184034143	337194681	/nfs/dbraw/zinc/19/46/81/337194681.db2.gz	BMMWSOMISNEPAD-OCCSQVGLSA-N	1	1	313.426	4.600	10	0		DJAEMO
CC[C@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccs1	ZINC000184066664	337195917	/nfs/dbraw/zinc/19/59/17/337195917.db2.gz	MIYDKVZFAALJHQ-AWEZNQCLSA-N	1	1	316.401	4.783	10	0		DJAEMO
Clc1ccc([C@@H]2CC[NH2+][C@H](C(Cl)(Cl)Cl)C2)cc1	ZINC000584608813	337372022	/nfs/dbraw/zinc/37/20/22/337372022.db2.gz	OMIFVEMPBRGDCH-KOLCDFICSA-N	1	1	313.055	4.546	10	0		DJAEMO
Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1	ZINC000584624950	337375367	/nfs/dbraw/zinc/37/53/67/337375367.db2.gz	RPLIZPPYRXCFMZ-GOEBONIOSA-N	1	1	315.354	4.770	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1	ZINC000036992155	340729497	/nfs/dbraw/zinc/72/94/97/340729497.db2.gz	LHQYLLNJVPKQNI-MNOVXSKESA-N	1	1	319.861	4.700	10	0		DJAEMO
COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl	ZINC000037217599	340774861	/nfs/dbraw/zinc/77/48/61/340774861.db2.gz	RRJVRPHJFAHBBJ-NEPJUHHUSA-N	1	1	307.796	4.900	10	0		DJAEMO
Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@H]2c2ccco2)n1	ZINC000245496824	341297433	/nfs/dbraw/zinc/29/74/33/341297433.db2.gz	SEYDYJRCBUOGAJ-HOCLYGCPSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@H]2c2ccco2)n1	ZINC000245496824	341297434	/nfs/dbraw/zinc/29/74/34/341297434.db2.gz	SEYDYJRCBUOGAJ-HOCLYGCPSA-N	1	1	323.396	4.536	10	0		DJAEMO
C[C@H]([N@H+](C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C	ZINC000042774089	183307098	/nfs/dbraw/zinc/30/70/98/183307098.db2.gz	KPIPGTAUPFFTGU-QMMMGPOBSA-N	1	1	308.274	4.604	10	0		DJAEMO
C[C@H]([N@@H+](C)CC(=O)c1cc(Cl)sc1Cl)C(C)(C)C	ZINC000042774089	183307101	/nfs/dbraw/zinc/30/71/01/183307101.db2.gz	KPIPGTAUPFFTGU-QMMMGPOBSA-N	1	1	308.274	4.604	10	0		DJAEMO
CC[C@H]1C(=O)[C@H](CC)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000003683239	257267377	/nfs/dbraw/zinc/26/73/77/257267377.db2.gz	UWLZKFVZABBKHL-UAFMIMERSA-N	1	1	307.437	4.694	10	0		DJAEMO
CC[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccs1	ZINC000048417166	332303691	/nfs/dbraw/zinc/30/36/91/332303691.db2.gz	SJIAAXSMBZQFNU-CYBMUJFWSA-N	1	1	315.467	4.508	10	0		DJAEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1	ZINC000178610734	337165365	/nfs/dbraw/zinc/16/53/65/337165365.db2.gz	KNRCUQMPSBOIOX-JLTOFOAXSA-N	1	1	324.374	4.800	10	0		DJAEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1	ZINC000178612713	337165394	/nfs/dbraw/zinc/16/53/94/337165394.db2.gz	AGHJKKNEPPCPAX-YWZLYKJASA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1	ZINC000179119918	337167996	/nfs/dbraw/zinc/16/79/96/337167996.db2.gz	FNEYIKPBTBFTPZ-LIRRHRJNSA-N	1	1	323.827	4.570	10	0		DJAEMO
CC[C@@H]([NH2+][C@H](C)c1nc(-c2ccccc2)no1)c1cccs1	ZINC000184044023	337196946	/nfs/dbraw/zinc/19/69/46/337196946.db2.gz	AOUXEGQQRCTQDJ-TZMCWYRMSA-N	1	1	313.426	4.600	10	0		DJAEMO
COc1ccsc1[C@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000186150472	337253991	/nfs/dbraw/zinc/25/39/91/337253991.db2.gz	UKTPUQYZASAPGH-KBXCAEBGSA-N	1	1	324.449	4.592	10	0		DJAEMO
COc1ccsc1[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000186150433	337254031	/nfs/dbraw/zinc/25/40/31/337254031.db2.gz	UKTPUQYZASAPGH-KSSFIOAISA-N	1	1	324.449	4.592	10	0		DJAEMO
Fc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C(F)(F)F)C3)cc1	ZINC000584624951	337375347	/nfs/dbraw/zinc/37/53/47/337375347.db2.gz	RPLIZPPYRXCFMZ-HOCLYGCPSA-N	1	1	315.354	4.770	10	0		DJAEMO
Cc1ccccc1-c1noc([C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)n1	ZINC000174169794	340383379	/nfs/dbraw/zinc/38/33/79/340383379.db2.gz	SEYDYJRCBUOGAJ-GDBMZVCRSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1ccccc1-c1noc([C@@H](C)[N@H+]2CCC[C@@H]2c2ccco2)n1	ZINC000174169794	340383380	/nfs/dbraw/zinc/38/33/80/340383380.db2.gz	SEYDYJRCBUOGAJ-GDBMZVCRSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccccc2Br)c1	ZINC000184248053	340491433	/nfs/dbraw/zinc/49/14/33/340491433.db2.gz	HWLUQFSOTKGWHR-OLZOCXBDSA-N	1	1	319.246	4.564	10	0		DJAEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1cccc(Cl)c1	ZINC000247604981	341367987	/nfs/dbraw/zinc/36/79/87/341367987.db2.gz	LNMAVHAQIKILGB-DYVFJYSZSA-N	1	1	317.864	4.588	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)o1	ZINC000158101709	341651505	/nfs/dbraw/zinc/65/15/05/341651505.db2.gz	URESJTXNMILIQT-CHWSQXEVSA-N	1	1	309.356	4.910	10	0		DJAEMO
C[C@@H]1CC[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)c2ccccc21	ZINC000128188929	524706061	/nfs/dbraw/zinc/70/60/61/524706061.db2.gz	OKBUKWWFPCCYOW-XPGWFJOJSA-N	1	1	317.436	4.727	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ccccc1Cl)c1ccccc1Br	ZINC000019908232	182163103	/nfs/dbraw/zinc/16/31/03/182163103.db2.gz	PNOAARZJZHCDAY-LLVKDONJSA-N	1	1	324.649	4.953	10	0		DJAEMO
[NH2+]=C1c2ccccc2CN1c1ccc(Cl)c(C(F)(F)F)c1	ZINC000020255101	182200086	/nfs/dbraw/zinc/20/00/86/182200086.db2.gz	XDZFNVJYRQOEFA-UHFFFAOYSA-N	1	1	310.706	4.704	10	0		DJAEMO
C[C@@H]1C[C@@H](C)CC[N@H+]1[C@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000100363658	257232253	/nfs/dbraw/zinc/23/22/53/257232253.db2.gz	QMSHXKQCTXFXMH-XWDORNJCSA-N	1	1	309.453	4.582	10	0		DJAEMO
CC[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cccs1	ZINC000048417165	332303682	/nfs/dbraw/zinc/30/36/82/332303682.db2.gz	SJIAAXSMBZQFNU-ZDUSSCGKSA-N	1	1	315.467	4.508	10	0		DJAEMO
CC[C@H](Nc1cc(C)[nH+]c2c(OC)cccc12)c1ccncc1	ZINC000301685034	336323317	/nfs/dbraw/zinc/32/33/17/336323317.db2.gz	UFTLPZJCXDZUSI-INIZCTEOSA-N	1	1	307.397	4.510	10	0		DJAEMO
CCc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)o1	ZINC000178615084	337165633	/nfs/dbraw/zinc/16/56/33/337165633.db2.gz	GDLFCHZUPYTEBI-QRWLVFNGSA-N	1	1	306.409	4.677	10	0		DJAEMO
CCC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1	ZINC000186050118	337253088	/nfs/dbraw/zinc/25/30/88/337253088.db2.gz	IOFGVGCBCHMRJM-HXUWFJFHSA-N	1	1	317.436	4.775	10	0		DJAEMO
C[C@H]([NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)c1ccncc1	ZINC000035790633	337745604	/nfs/dbraw/zinc/74/56/04/337745604.db2.gz	NSNXPKQRGWAIPE-UWVGGRQHSA-N	1	1	313.203	4.939	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)o1	ZINC000158101551	341651438	/nfs/dbraw/zinc/65/14/38/341651438.db2.gz	URESJTXNMILIQT-STQMWFEESA-N	1	1	309.356	4.910	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)ccc2OC(F)F)o1	ZINC000158101409	341651533	/nfs/dbraw/zinc/65/15/33/341651533.db2.gz	URESJTXNMILIQT-OLZOCXBDSA-N	1	1	309.356	4.910	10	0		DJAEMO
COc1ccccc1-c1[nH+]c2cccc(C)n2c1NC(C)(C)C	ZINC000035701977	563878776	/nfs/dbraw/zinc/87/87/76/563878776.db2.gz	XHQWWWKOFSIBGW-UHFFFAOYSA-N	1	1	309.413	4.529	10	0		DJAEMO
COc1ccc(C[C@@H]2C(C)=C(C)CC[N@@H+]2Cc2ccccc2)cc1	ZINC000005766537	181282235	/nfs/dbraw/zinc/28/22/35/181282235.db2.gz	FGVXHUJLIAKCEK-JOCHJYFZSA-N	1	1	321.464	4.849	10	0		DJAEMO
CC[N@H+](Cc1ccccc1)[C@H](CN)c1ccc(C(C)(C)C)cc1	ZINC000020226299	182198934	/nfs/dbraw/zinc/19/89/34/182198934.db2.gz	KYDQCRFXFCTLRG-HXUWFJFHSA-N	1	1	310.485	4.506	10	0		DJAEMO
CC[N@@H+](Cc1ccccc1)[C@H](CN)c1ccc(C(C)(C)C)cc1	ZINC000020226299	182198935	/nfs/dbraw/zinc/19/89/35/182198935.db2.gz	KYDQCRFXFCTLRG-HXUWFJFHSA-N	1	1	310.485	4.506	10	0		DJAEMO
CCOc1ccc([C@@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1	ZINC000020592832	182235843	/nfs/dbraw/zinc/23/58/43/182235843.db2.gz	WWTRUNDQOQPRJS-QGZVFWFLSA-N	1	1	301.773	4.533	10	0		DJAEMO
FC(F)(F)c1cccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)c1	ZINC000040836225	183140107	/nfs/dbraw/zinc/14/01/07/183140107.db2.gz	HZLJCQJNRBJTQI-UHFFFAOYSA-N	1	1	311.694	4.979	10	0		DJAEMO
FC(F)(F)c1cccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)c1	ZINC000040836225	183140110	/nfs/dbraw/zinc/14/01/10/183140110.db2.gz	HZLJCQJNRBJTQI-UHFFFAOYSA-N	1	1	311.694	4.979	10	0		DJAEMO
CC(C)C[C@H](C)[N@H+](C)CC(=O)c1cc(Cl)sc1Cl	ZINC000042586575	183288127	/nfs/dbraw/zinc/28/81/27/183288127.db2.gz	SJPWJCSBFDQNAL-VIFPVBQESA-N	1	1	308.274	4.604	10	0		DJAEMO
CC(C)C[C@H](C)[N@@H+](C)CC(=O)c1cc(Cl)sc1Cl	ZINC000042586575	183288129	/nfs/dbraw/zinc/28/81/29/183288129.db2.gz	SJPWJCSBFDQNAL-VIFPVBQESA-N	1	1	308.274	4.604	10	0		DJAEMO
CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)c2nccs2)cc1	ZINC000080289651	331684501	/nfs/dbraw/zinc/68/45/01/331684501.db2.gz	HFXFGTJRCOOHLC-ZIAGYGMSSA-N	1	1	304.459	4.590	10	0		DJAEMO
Cc1ccccc1[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccccc1	ZINC000181061717	332173502	/nfs/dbraw/zinc/17/35/02/332173502.db2.gz	FNGVYOXJBITEJJ-FQEVSTJZSA-N	1	1	322.839	4.923	10	0		DJAEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1F	ZINC000178606329	337165388	/nfs/dbraw/zinc/16/53/88/337165388.db2.gz	ZVMXHQHAEXTCIE-YWZLYKJASA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1	ZINC000178612737	337165442	/nfs/dbraw/zinc/16/54/42/337165442.db2.gz	AGHJKKNEPPCPAX-FOIQADDNSA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1	ZINC000178610712	337165481	/nfs/dbraw/zinc/16/54/81/337165481.db2.gz	KNRCUQMPSBOIOX-VLIAUNLRSA-N	1	1	324.374	4.800	10	0		DJAEMO
c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCOc2ccccc21	ZINC000180764015	337177754	/nfs/dbraw/zinc/17/77/54/337177754.db2.gz	JRMMLSXETQNKMN-SFHVURJKSA-N	1	1	321.376	4.685	10	0		DJAEMO
CC(C)[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1	ZINC000186059486	337253203	/nfs/dbraw/zinc/25/32/03/337253203.db2.gz	CSJFVMUBUBMAAG-NRFANRHFSA-N	1	1	317.436	4.631	10	0		DJAEMO
CC/C=C/CC[N@H+]1CC[C@](CC(C)C)(c2cccc(O)c2)C1	ZINC000584650280	337380790	/nfs/dbraw/zinc/38/07/90/337380790.db2.gz	ZAQXAGSXLGVQFY-RRFGBZISSA-N	1	1	301.474	4.738	10	0		DJAEMO
CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ncc(Cl)s1	ZINC000472080591	339363017	/nfs/dbraw/zinc/36/30/17/339363017.db2.gz	QUTRPHXSLHIXCW-OAHLLOKOSA-N	1	1	306.862	4.600	10	0		DJAEMO
Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl	ZINC000247537319	341366798	/nfs/dbraw/zinc/36/67/98/341366798.db2.gz	COXFYFYEYURLKS-DYVFJYSZSA-N	1	1	317.864	4.588	10	0		DJAEMO
C[C@H]([NH2+]Cc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1	ZINC000157342144	525486083	/nfs/dbraw/zinc/48/60/83/525486083.db2.gz	PEVRCXJHXGINPQ-QMMMGPOBSA-N	1	1	320.767	4.666	10	0		DJAEMO
Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)F)cc2)cs1	ZINC000189748848	527051795	/nfs/dbraw/zinc/05/17/95/527051795.db2.gz	XERCBTSFWBIBBW-HNNXBMFYSA-N	1	1	308.397	4.726	10	0		DJAEMO
Cc1nc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)F)cc2)cs1	ZINC000189748848	527051802	/nfs/dbraw/zinc/05/18/02/527051802.db2.gz	XERCBTSFWBIBBW-HNNXBMFYSA-N	1	1	308.397	4.726	10	0		DJAEMO
CCn1c(C)c(C)c2cc[nH+]c(NCc3ccc(F)cc3C)c21	ZINC000146001770	186038023	/nfs/dbraw/zinc/03/80/23/186038023.db2.gz	RKBONDHTSLKUIZ-UHFFFAOYSA-N	1	1	311.404	4.733	10	0		DJAEMO
Cc1[nH]c2c(cc[nH+]c2NCc2ccccc2C(F)(F)F)c1C	ZINC000146014937	186038152	/nfs/dbraw/zinc/03/81/52/186038152.db2.gz	XVULKMYPKDWOJD-UHFFFAOYSA-N	1	1	319.330	4.811	10	0		DJAEMO
CCOc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1	ZINC000020592833	182235897	/nfs/dbraw/zinc/23/58/97/182235897.db2.gz	WWTRUNDQOQPRJS-KRWDZBQOSA-N	1	1	301.773	4.533	10	0		DJAEMO
COc1ccc(OC)c(Nc2cc[nH+]c3c(C)cc(C)cc23)c1	ZINC000041054949	183159392	/nfs/dbraw/zinc/15/93/92/183159392.db2.gz	GCRPYENAMISMLU-UHFFFAOYSA-N	1	1	308.381	4.612	10	0		DJAEMO
CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cc(F)ccc1F	ZINC000178273268	337161887	/nfs/dbraw/zinc/16/18/87/337161887.db2.gz	OUQZNGLAUNJWOB-IAGOWNOFSA-N	1	1	303.352	4.529	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cccc(F)c1	ZINC000178612720	337165525	/nfs/dbraw/zinc/16/55/25/337165525.db2.gz	AGHJKKNEPPCPAX-QRWLVFNGSA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1	ZINC000179119939	337167876	/nfs/dbraw/zinc/16/78/76/337167876.db2.gz	FNEYIKPBTBFTPZ-IFXJQAMLSA-N	1	1	323.827	4.570	10	0		DJAEMO
CC[C@@H]([NH2+][C@@H](C)c1nc(-c2ccccc2)no1)c1cccs1	ZINC000184043984	337196948	/nfs/dbraw/zinc/19/69/48/337196948.db2.gz	AOUXEGQQRCTQDJ-GXTWGEPZSA-N	1	1	313.426	4.600	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c(C)c1	ZINC000186058722	337253260	/nfs/dbraw/zinc/25/32/60/337253260.db2.gz	BWAWJKBIUDDLMV-QGZVFWFLSA-N	1	1	317.436	4.611	10	0		DJAEMO
COc1cccc([C@@]2(CC(C)C)CC[N@@H+](CCC(C)C)C2)c1	ZINC000584650491	337380837	/nfs/dbraw/zinc/38/08/37/337380837.db2.gz	NANZNIIPYSMTIA-HXUWFJFHSA-N	1	1	303.490	4.731	10	0		DJAEMO
COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1Cl	ZINC000037217600	340774966	/nfs/dbraw/zinc/77/49/66/340774966.db2.gz	RRJVRPHJFAHBBJ-VXGBXAGGSA-N	1	1	307.796	4.900	10	0		DJAEMO
COc1cc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1Cl	ZINC000158172487	341652906	/nfs/dbraw/zinc/65/29/06/341652906.db2.gz	KDLGAGSDPNJXEF-NWDGAFQWSA-N	1	1	323.820	4.670	10	0		DJAEMO
COc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccccc3C)co2)cc1	ZINC000181548246	523208977	/nfs/dbraw/zinc/20/89/77/523208977.db2.gz	OCZOIWSPFOWPSL-HNNXBMFYSA-N	1	1	322.408	4.509	10	0		DJAEMO
C[C@@H]1CC[C@@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)c2ccccc21	ZINC000128189356	524618099	/nfs/dbraw/zinc/61/80/99/524618099.db2.gz	OKBUKWWFPCCYOW-YSGRDPCXSA-N	1	1	317.436	4.727	10	0		DJAEMO
COC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(C)C)cc1	ZINC000072236870	191080359	/nfs/dbraw/zinc/08/03/59/191080359.db2.gz	GNGJACRMGPQAOO-UHFFFAOYSA-N	1	1	320.392	4.888	10	0		DJAEMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(Nc1c(Cl)cc(Cl)cc1Cl)C2	ZINC000020524078	182227085	/nfs/dbraw/zinc/22/70/85/182227085.db2.gz	GVOVLTLGGOUXRT-FGWVZKOKSA-N	1	1	319.663	4.684	10	0		DJAEMO
CCCN(CCC)C[P@@](=O)(CC)C[NH+](CCC)CCC	ZINC000020595034	182235417	/nfs/dbraw/zinc/23/54/17/182235417.db2.gz	WDLTVLXVFGOYCY-UHFFFAOYSA-N	1	1	304.459	4.528	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccc(Cl)cc3n2C)o1	ZINC000091264918	332102648	/nfs/dbraw/zinc/10/26/48/332102648.db2.gz	MRXQCKGPSBUUQW-RYUDHWBXSA-N	1	1	317.820	4.540	10	0		DJAEMO
CCC(CC)C[N@@H+](CC)[C@H](C)c1nnc(-c2ccccc2)o1	ZINC000101726492	334351033	/nfs/dbraw/zinc/35/10/33/334351033.db2.gz	YKUYXIFADHTHHT-CQSZACIVSA-N	1	1	301.434	4.556	10	0		DJAEMO
C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1	ZINC000181352277	337181524	/nfs/dbraw/zinc/18/15/24/337181524.db2.gz	HGSRGOJUNWOCLM-ZDUSSCGKSA-N	1	1	312.800	4.846	10	0		DJAEMO
Cc1ccccc1[C@@H](C)[NH2+]Cc1ncc(-c2cccc(F)c2)o1	ZINC000181534290	337182829	/nfs/dbraw/zinc/18/28/29/337182829.db2.gz	GWPSSSWQKALORN-CQSZACIVSA-N	1	1	310.372	4.640	10	0		DJAEMO
FC(F)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1	ZINC000183932864	337195707	/nfs/dbraw/zinc/19/57/07/337195707.db2.gz	YIOSDUWETFLUAV-CQSZACIVSA-N	1	1	308.397	4.808	10	0		DJAEMO
FC(F)c1ccc(C[N@H+]2CCCC[C@@H]2c2nccs2)cc1	ZINC000183932864	337195708	/nfs/dbraw/zinc/19/57/08/337195708.db2.gz	YIOSDUWETFLUAV-CQSZACIVSA-N	1	1	308.397	4.808	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2Br)o1	ZINC000036945593	337800442	/nfs/dbraw/zinc/80/04/42/337800442.db2.gz	RKAMUQJUZOVWES-RYUDHWBXSA-N	1	1	308.219	4.762	10	0		DJAEMO
C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1	ZINC000036992157	340729373	/nfs/dbraw/zinc/72/93/73/340729373.db2.gz	LHQYLLNJVPKQNI-GHMZBOCLSA-N	1	1	319.861	4.700	10	0		DJAEMO
CCOc1ccc(-c2cncc(C[N@H+]3CCCC[C@H]3C)c2)cc1	ZINC000037554221	563918740	/nfs/dbraw/zinc/91/87/40/563918740.db2.gz	ABGVOULXCPSINF-MRXNPFEDSA-N	1	1	310.441	4.522	10	0		DJAEMO
CC[C@H]([NH2+][C@@H](c1nc(C2CC2)no1)C(C)C)c1ccc(F)cc1	ZINC000089670856	192840455	/nfs/dbraw/zinc/84/04/55/192840455.db2.gz	NXQMLUAZKQCSDS-JKSUJKDBSA-N	1	1	317.408	4.524	10	0		DJAEMO
Cc1ccc(-c2ccc(C[NH2+]Cc3ccccn3)o2)cc1Cl	ZINC000020876626	182251257	/nfs/dbraw/zinc/25/12/57/182251257.db2.gz	STCOKEVSBUVKAK-UHFFFAOYSA-N	1	1	312.800	4.593	10	0		DJAEMO
CC(C)C[N@@H+](CC(=O)c1cc(Cl)sc1Cl)C(C)C	ZINC000042587713	183288013	/nfs/dbraw/zinc/28/80/13/183288013.db2.gz	SWGXAVLGHSAQJW-UHFFFAOYSA-N	1	1	308.274	4.604	10	0		DJAEMO
C[C@@H]([N@H+](C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C	ZINC000042773781	183306967	/nfs/dbraw/zinc/30/69/67/183306967.db2.gz	JEZQJXIGVMOPOT-SNVBAGLBSA-N	1	1	302.245	4.543	10	0		DJAEMO
C[C@@H]([N@@H+](C)CC(=O)c1ccc(Cl)cc1Cl)C(C)(C)C	ZINC000042773781	183306969	/nfs/dbraw/zinc/30/69/69/183306969.db2.gz	JEZQJXIGVMOPOT-SNVBAGLBSA-N	1	1	302.245	4.543	10	0		DJAEMO
c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]CCC2=CCCCC2)C3)cc1	ZINC000390854203	333399909	/nfs/dbraw/zinc/39/99/09/333399909.db2.gz	JQJMBHDHNOZSPR-FRIKZZABSA-N	1	1	324.512	4.662	10	0		DJAEMO
C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(F)c(Cl)c1	ZINC000021507131	333424139	/nfs/dbraw/zinc/42/41/39/333424139.db2.gz	VMKYOGAVEJWJBT-JTQLQIEISA-N	1	1	320.820	4.940	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1cccs1	ZINC000171111426	337086880	/nfs/dbraw/zinc/08/68/80/337086880.db2.gz	NBSQUKLHUZGLRQ-LLVKDONJSA-N	1	1	318.829	4.907	10	0		DJAEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1	ZINC000173381910	337134973	/nfs/dbraw/zinc/13/49/73/337134973.db2.gz	UBJJUGHVTBRGPL-XOBRGWDASA-N	1	1	324.374	4.800	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1	ZINC000173381924	337135023	/nfs/dbraw/zinc/13/50/23/337135023.db2.gz	UBJJUGHVTBRGPL-VLIAUNLRSA-N	1	1	324.374	4.800	10	0		DJAEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1	ZINC000178610722	337165396	/nfs/dbraw/zinc/16/53/96/337165396.db2.gz	KNRCUQMPSBOIOX-VBKZILBWSA-N	1	1	324.374	4.800	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccc(Cl)nc1	ZINC000179119928	337167980	/nfs/dbraw/zinc/16/79/80/337167980.db2.gz	FNEYIKPBTBFTPZ-KUHUBIRLSA-N	1	1	323.827	4.570	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1cccs1	ZINC000182557488	337188877	/nfs/dbraw/zinc/18/88/77/337188877.db2.gz	MBTMGDPZVJOJQY-LLVKDONJSA-N	1	1	318.829	4.907	10	0		DJAEMO
C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]1c1ccco1	ZINC000246682431	341355597	/nfs/dbraw/zinc/35/55/97/341355597.db2.gz	BCGPKLFDLWBOFV-ZBFHGGJFSA-N	1	1	308.381	4.833	10	0		DJAEMO
C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]1c1ccco1	ZINC000246682431	341355598	/nfs/dbraw/zinc/35/55/98/341355598.db2.gz	BCGPKLFDLWBOFV-ZBFHGGJFSA-N	1	1	308.381	4.833	10	0		DJAEMO
CCCn1c(C)cc2cc[nH+]c(NCc3c(C)cccc3C)c21	ZINC000147034922	186039034	/nfs/dbraw/zinc/03/90/34/186039034.db2.gz	JHVJLJYOCJEPFG-UHFFFAOYSA-N	1	1	307.441	4.984	10	0		DJAEMO
Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccc(Br)cc1	ZINC000020592934	182235723	/nfs/dbraw/zinc/23/57/23/182235723.db2.gz	GSSOGVXISXCODJ-HNNXBMFYSA-N	1	1	316.198	4.552	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3s2)cc1F	ZINC000094836727	335755576	/nfs/dbraw/zinc/75/55/76/335755576.db2.gz	RFHQODPATDIYGE-GFCCVEGCSA-N	1	1	300.402	4.595	10	0		DJAEMO
C[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1F	ZINC000178606339	337165459	/nfs/dbraw/zinc/16/54/59/337165459.db2.gz	ZVMXHQHAEXTCIE-QRWLVFNGSA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1cc(F)cc(F)c1	ZINC000178610702	337165474	/nfs/dbraw/zinc/16/54/74/337165474.db2.gz	KNRCUQMPSBOIOX-XOBRGWDASA-N	1	1	324.374	4.800	10	0		DJAEMO
COc1ccccc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000178609239	337165516	/nfs/dbraw/zinc/16/55/16/337165516.db2.gz	JKXCBZCOBAZPQH-IIBYNOLFSA-N	1	1	318.420	4.530	10	0		DJAEMO
CCc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)o1	ZINC000178615093	337165660	/nfs/dbraw/zinc/16/56/60/337165660.db2.gz	GDLFCHZUPYTEBI-YWZLYKJASA-N	1	1	306.409	4.677	10	0		DJAEMO
Cc1ccccc1[C@H](C)[NH2+]Cc1ncc(-c2cccc(F)c2)o1	ZINC000181534314	337182819	/nfs/dbraw/zinc/18/28/19/337182819.db2.gz	GWPSSSWQKALORN-AWEZNQCLSA-N	1	1	310.372	4.640	10	0		DJAEMO
Cc1csc([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)n1	ZINC000183932935	337195649	/nfs/dbraw/zinc/19/56/49/337195649.db2.gz	CXIOVRXYKKLBCI-HNNXBMFYSA-N	1	1	322.424	4.769	10	0		DJAEMO
FC(F)c1ccc(C[N@@H+]2CCCC[C@H]2c2nccs2)cc1	ZINC000183932883	337195652	/nfs/dbraw/zinc/19/56/52/337195652.db2.gz	YIOSDUWETFLUAV-AWEZNQCLSA-N	1	1	308.397	4.808	10	0		DJAEMO
FC(F)c1ccc(C[N@H+]2CCCC[C@H]2c2nccs2)cc1	ZINC000183932883	337195653	/nfs/dbraw/zinc/19/56/53/337195653.db2.gz	YIOSDUWETFLUAV-AWEZNQCLSA-N	1	1	308.397	4.808	10	0		DJAEMO
CC[C@@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccs1	ZINC000184059319	337196995	/nfs/dbraw/zinc/19/69/95/337196995.db2.gz	KTGQZAJWFQNMQV-CQSZACIVSA-N	1	1	316.401	4.783	10	0		DJAEMO
COc1ccsc1[C@@H](C)[NH2+][C@H](c1ccccc1)c1cccnc1	ZINC000186150490	337253986	/nfs/dbraw/zinc/25/39/86/337253986.db2.gz	UKTPUQYZASAPGH-RDTXWAMCSA-N	1	1	324.449	4.592	10	0		DJAEMO
CC1(C)CCc2ccccc2[C@@H]1[NH2+]Cc1ncc(Cl)s1	ZINC000472080590	339362973	/nfs/dbraw/zinc/36/29/73/339362973.db2.gz	QUTRPHXSLHIXCW-HNNXBMFYSA-N	1	1	306.862	4.600	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)ccc2OC(F)F)o1	ZINC000158101865	341651473	/nfs/dbraw/zinc/65/14/73/341651473.db2.gz	URESJTXNMILIQT-QWHCGFSZSA-N	1	1	309.356	4.910	10	0		DJAEMO
C[N@H+]1Cc2ccccc2C12c1ccccc1CCc1ccccc12	ZINC000006661384	181367307	/nfs/dbraw/zinc/36/73/07/181367307.db2.gz	LHTVZDOHGJLKNS-UHFFFAOYSA-N	1	1	311.428	4.523	10	0		DJAEMO
CC[N@@H+]([C@H](CN)c1ccc(Cl)c(Cl)c1)C1CCCCC1	ZINC000019230818	182109597	/nfs/dbraw/zinc/10/95/97/182109597.db2.gz	WQHDZTDRFIEOMQ-MRXNPFEDSA-N	1	1	315.288	4.648	10	0		DJAEMO
CCN([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1	ZINC000019230818	182109599	/nfs/dbraw/zinc/10/95/99/182109599.db2.gz	WQHDZTDRFIEOMQ-MRXNPFEDSA-N	1	1	315.288	4.648	10	0		DJAEMO
CC[N@H+](Cc1ccccc1)[C@@H](CN)c1ccc(C(C)(C)C)cc1	ZINC000020226298	182198593	/nfs/dbraw/zinc/19/85/93/182198593.db2.gz	KYDQCRFXFCTLRG-FQEVSTJZSA-N	1	1	310.485	4.506	10	0		DJAEMO
CC[N@@H+](Cc1ccccc1)[C@@H](CN)c1ccc(C(C)(C)C)cc1	ZINC000020226298	182198595	/nfs/dbraw/zinc/19/85/95/182198595.db2.gz	KYDQCRFXFCTLRG-FQEVSTJZSA-N	1	1	310.485	4.506	10	0		DJAEMO
CCCOc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccco1	ZINC000020930289	182254496	/nfs/dbraw/zinc/25/44/96/182254496.db2.gz	WAVULPCHDWBPIE-UHFFFAOYSA-N	1	1	314.212	4.665	10	0		DJAEMO
C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1	ZINC000048777318	334296458	/nfs/dbraw/zinc/29/64/58/334296458.db2.gz	ZWQDYLUEFYKVPV-JTQLQIEISA-N	1	1	320.223	4.721	10	0		DJAEMO
CC[N@@H+](Cc1ccccc1C)[C@H](C)c1nnc(-c2ccccc2)o1	ZINC000101726258	334351015	/nfs/dbraw/zinc/35/10/15/334351015.db2.gz	ZWPYEVJSYOYWOL-MRXNPFEDSA-N	1	1	321.424	4.628	10	0		DJAEMO
Cc1nc(CNc2cc[nH+]c3ccc(Cl)cc23)c(C)s1	ZINC000301840137	336333468	/nfs/dbraw/zinc/33/34/68/336333468.db2.gz	OQJRBQUDESFSHZ-UHFFFAOYSA-N	1	1	303.818	4.574	10	0		DJAEMO
C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1cccs1	ZINC000171111421	337086884	/nfs/dbraw/zinc/08/68/84/337086884.db2.gz	NBSQUKLHUZGLRQ-NSHDSACASA-N	1	1	318.829	4.907	10	0		DJAEMO
C[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1F	ZINC000178606367	337165367	/nfs/dbraw/zinc/16/53/67/337165367.db2.gz	ZVMXHQHAEXTCIE-FOIQADDNSA-N	1	1	306.384	4.661	10	0		DJAEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1cccc(F)c1	ZINC000178612730	337165450	/nfs/dbraw/zinc/16/54/50/337165450.db2.gz	AGHJKKNEPPCPAX-MGPUTAFESA-N	1	1	306.384	4.661	10	0		DJAEMO
CCc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)o1	ZINC000178615111	337165593	/nfs/dbraw/zinc/16/55/93/337165593.db2.gz	GDLFCHZUPYTEBI-MGPUTAFESA-N	1	1	306.409	4.677	10	0		DJAEMO
C[C@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1cccs1	ZINC000182557475	337188859	/nfs/dbraw/zinc/18/88/59/337188859.db2.gz	MBTMGDPZVJOJQY-NSHDSACASA-N	1	1	318.829	4.907	10	0		DJAEMO
CC[C@@H]([NH2+][C@H](C)c1nnc(-c2ccccc2)o1)c1cccs1	ZINC000184034160	337194641	/nfs/dbraw/zinc/19/46/41/337194641.db2.gz	BMMWSOMISNEPAD-TZMCWYRMSA-N	1	1	313.426	4.600	10	0		DJAEMO
CC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccccc2)o1)c1cccs1	ZINC000184034101	337194643	/nfs/dbraw/zinc/19/46/43/337194643.db2.gz	BMMWSOMISNEPAD-JSGCOSHPSA-N	1	1	313.426	4.600	10	0		DJAEMO
CC(C)c1cnc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)s1	ZINC000183914521	337195564	/nfs/dbraw/zinc/19/55/64/337195564.db2.gz	ZHNHZXDDORDZMZ-CQSZACIVSA-N	1	1	316.470	4.659	10	0		DJAEMO
CCC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1	ZINC000186050098	337253060	/nfs/dbraw/zinc/25/30/60/337253060.db2.gz	IOFGVGCBCHMRJM-FQEVSTJZSA-N	1	1	317.436	4.775	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c(C)c1	ZINC000186058746	337253275	/nfs/dbraw/zinc/25/32/75/337253275.db2.gz	BWAWJKBIUDDLMV-KRWDZBQOSA-N	1	1	317.436	4.611	10	0		DJAEMO
COc1ccsc1[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1	ZINC000186150453	337254015	/nfs/dbraw/zinc/25/40/15/337254015.db2.gz	UKTPUQYZASAPGH-KDOFPFPSSA-N	1	1	324.449	4.592	10	0		DJAEMO
C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1ccc(Cl)s1	ZINC000036992154	340729517	/nfs/dbraw/zinc/72/95/17/340729517.db2.gz	LHQYLLNJVPKQNI-QWRGUYRKSA-N	1	1	319.861	4.700	10	0		DJAEMO
COc1cc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Cl	ZINC000158172872	341652895	/nfs/dbraw/zinc/65/28/95/341652895.db2.gz	KDLGAGSDPNJXEF-NEPJUHHUSA-N	1	1	323.820	4.670	10	0		DJAEMO
CC(C)c1[nH+]ccn1Cc1cccc(N[C@H](C)c2ccncc2)c1	ZINC000179929450	519880327	/nfs/dbraw/zinc/88/03/27/519880327.db2.gz	ABBOBEHIHOCDNK-MRXNPFEDSA-N	1	1	320.440	4.623	10	0		DJAEMO
Cc1c(Cl)ccc2c(NCCc3cccs3)cc[nH+]c12	ZINC000040358982	183056408	/nfs/dbraw/zinc/05/64/08/183056408.db2.gz	PFABECGNCXZDMN-UHFFFAOYSA-N	1	1	302.830	4.913	10	0		DJAEMO
CCc1ccc2[nH+]ccc(Nc3cc(OC)ccc3OC)c2c1	ZINC000065005387	184308268	/nfs/dbraw/zinc/30/82/68/184308268.db2.gz	KHOKOJTWBUZLQJ-UHFFFAOYSA-N	1	1	308.381	4.558	10	0		DJAEMO
Cc1csc([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)n1	ZINC000183932916	337195689	/nfs/dbraw/zinc/19/56/89/337195689.db2.gz	CXIOVRXYKKLBCI-OAHLLOKOSA-N	1	1	322.424	4.769	10	0		DJAEMO
Fc1ccc(C[N@H+]2CC[C@]3(C2)CCC[C@@H](C(F)(F)F)C3)cc1	ZINC000584624949	337375374	/nfs/dbraw/zinc/37/53/74/337375374.db2.gz	RPLIZPPYRXCFMZ-GDBMZVCRSA-N	1	1	315.354	4.770	10	0		DJAEMO
CC/C=C/CC[N@H+]1CC[C@@](CC(C)C)(c2cccc(O)c2)C1	ZINC000584650281	337380749	/nfs/dbraw/zinc/38/07/49/337380749.db2.gz	ZAQXAGSXLGVQFY-XJDXJNMNSA-N	1	1	301.474	4.738	10	0		DJAEMO
COc1cccc([C@]2(CC(C)C)CC[N@@H+](CCC(C)C)C2)c1	ZINC000584650488	337380822	/nfs/dbraw/zinc/38/08/22/337380822.db2.gz	NANZNIIPYSMTIA-FQEVSTJZSA-N	1	1	303.490	4.731	10	0		DJAEMO
Cc1ccccc1-c1noc([C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)n1	ZINC000174169809	340383415	/nfs/dbraw/zinc/38/34/15/340383415.db2.gz	SEYDYJRCBUOGAJ-GOEBONIOSA-N	1	1	323.396	4.536	10	0		DJAEMO
Cc1ccccc1-c1noc([C@H](C)[N@H+]2CCC[C@@H]2c2ccco2)n1	ZINC000174169809	340383416	/nfs/dbraw/zinc/38/34/16/340383416.db2.gz	SEYDYJRCBUOGAJ-GOEBONIOSA-N	1	1	323.396	4.536	10	0		DJAEMO
C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H]1c1ccco1	ZINC000246682411	341355498	/nfs/dbraw/zinc/35/54/98/341355498.db2.gz	BCGPKLFDLWBOFV-HOCLYGCPSA-N	1	1	308.381	4.833	10	0		DJAEMO
C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H]1c1ccco1	ZINC000246682411	341355499	/nfs/dbraw/zinc/35/54/99/341355499.db2.gz	BCGPKLFDLWBOFV-HOCLYGCPSA-N	1	1	308.381	4.833	10	0		DJAEMO
C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)c2ccccc21	ZINC000249192016	341395161	/nfs/dbraw/zinc/39/51/61/341395161.db2.gz	OKBUKWWFPCCYOW-CDHQVMDDSA-N	1	1	317.436	4.727	10	0		DJAEMO
Cc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)n1	ZINC000181545085	525022700	/nfs/dbraw/zinc/02/27/00/525022700.db2.gz	FCMJHSFPMIFOPY-HOTGVXAUSA-N	1	1	321.424	4.765	10	0		DJAEMO
Clc1ccc(C[NH2+]Cc2nc3ccccc3s2)cc1Cl	ZINC000020022106	182179531	/nfs/dbraw/zinc/17/95/31/182179531.db2.gz	PXJCVGRHEQMRCN-UHFFFAOYSA-N	1	1	323.248	4.893	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ccccc1Br)c1ccccc1Cl	ZINC000020124116	182189922	/nfs/dbraw/zinc/18/99/22/182189922.db2.gz	DEXIHVJLFTYEHS-LLVKDONJSA-N	1	1	324.649	4.953	10	0		DJAEMO
CC(C)OC(=O)c1ccc(Nc2cc[nH+]c3ccccc23)cc1	ZINC000041055595	183160252	/nfs/dbraw/zinc/16/02/52/183160252.db2.gz	USSKIOMDJAYSHN-UHFFFAOYSA-N	1	1	306.365	4.544	10	0		DJAEMO
Cc1nc(CNc2cc[nH+]c3cc(Cl)ccc23)c(C)s1	ZINC000301857106	336334532	/nfs/dbraw/zinc/33/45/32/336334532.db2.gz	ZNKYZFHDOMUTEP-UHFFFAOYSA-N	1	1	303.818	4.574	10	0		DJAEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccc(F)c(F)c1	ZINC000173381938	337134968	/nfs/dbraw/zinc/13/49/68/337134968.db2.gz	UBJJUGHVTBRGPL-VBKZILBWSA-N	1	1	324.374	4.800	10	0		DJAEMO
c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCOc2ccccc21	ZINC000180763998	337177789	/nfs/dbraw/zinc/17/77/89/337177789.db2.gz	JRMMLSXETQNKMN-GOSISDBHSA-N	1	1	321.376	4.685	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ncc(-c2ccccc2Cl)o1)c1ccccc1	ZINC000181352295	337181613	/nfs/dbraw/zinc/18/16/13/337181613.db2.gz	HGSRGOJUNWOCLM-CYBMUJFWSA-N	1	1	312.800	4.846	10	0		DJAEMO
CC(C)c1cnc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)s1	ZINC000183914539	337195538	/nfs/dbraw/zinc/19/55/38/337195538.db2.gz	ZHNHZXDDORDZMZ-AWEZNQCLSA-N	1	1	316.470	4.659	10	0		DJAEMO
CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)c1cccs1	ZINC000184066683	337195884	/nfs/dbraw/zinc/19/58/84/337195884.db2.gz	MIYDKVZFAALJHQ-CQSZACIVSA-N	1	1	316.401	4.783	10	0		DJAEMO
CC(C)[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccccc1	ZINC000186059506	337253179	/nfs/dbraw/zinc/25/31/79/337253179.db2.gz	CSJFVMUBUBMAAG-OAQYLSRUSA-N	1	1	317.436	4.631	10	0		DJAEMO
CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1	ZINC000186063693	337253306	/nfs/dbraw/zinc/25/33/06/337253306.db2.gz	NQPISPBMVLHFSH-FQEVSTJZSA-N	1	1	317.436	4.693	10	0		DJAEMO
Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccccc2Br)c1	ZINC000184248089	340491577	/nfs/dbraw/zinc/49/15/77/340491577.db2.gz	HWLUQFSOTKGWHR-CHWSQXEVSA-N	1	1	319.246	4.564	10	0		DJAEMO
Cc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)o1	ZINC000129425120	340959958	/nfs/dbraw/zinc/95/99/58/340959958.db2.gz	QAIOCURJNZBSNN-JTQLQIEISA-N	1	1	301.283	4.597	10	0		DJAEMO
Cc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)c2ccccc2)s1	ZINC000036101640	563893874	/nfs/dbraw/zinc/89/38/74/563893874.db2.gz	UNHPBPXFWWRQLE-IBGZPJMESA-N	1	1	317.498	4.638	10	0		DJAEMO
CCCCC[C@@H]1CCCC[N@H+]1CCCOC(=O)c1ccccc1	ZINC000005513290	181251915	/nfs/dbraw/zinc/25/19/15/181251915.db2.gz	SRZOHCZNOHUVHY-LJQANCHMSA-N	1	1	317.473	4.668	10	0		DJAEMO
CCCOc1c(Cl)cc(C[NH2+]Cc2ccco2)cc1Cl	ZINC000020926492	182254703	/nfs/dbraw/zinc/25/47/03/182254703.db2.gz	BAZDTKBHUCGWMQ-UHFFFAOYSA-N	1	1	314.212	4.665	10	0		DJAEMO
CCC(CC)C[N@@H+](CC)[C@@H](C)c1nnc(-c2ccccc2)o1	ZINC000101726488	334350989	/nfs/dbraw/zinc/35/09/89/334350989.db2.gz	YKUYXIFADHTHHT-AWEZNQCLSA-N	1	1	301.434	4.556	10	0		DJAEMO
Cn1c(CNc2cc[nH+]c3ccsc32)cc(Cl)c1Cl	ZINC000301659050	336321331	/nfs/dbraw/zinc/32/13/31/336321331.db2.gz	SZNZIQUUCLITQD-UHFFFAOYSA-N	1	1	312.225	4.554	10	0		DJAEMO
C[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1F	ZINC000178606354	337165498	/nfs/dbraw/zinc/16/54/98/337165498.db2.gz	ZVMXHQHAEXTCIE-MGPUTAFESA-N	1	1	306.384	4.661	10	0		DJAEMO
CC[C@@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(C)cc1	ZINC000186063710	337253345	/nfs/dbraw/zinc/25/33/45/337253345.db2.gz	NQPISPBMVLHFSH-HXUWFJFHSA-N	1	1	317.436	4.693	10	0		DJAEMO
CCCCC[N@H+]1CC[C@@](CC(C)C)(c2cccc(OC)c2)C1	ZINC000584650407	337380792	/nfs/dbraw/zinc/38/07/92/337380792.db2.gz	IANBACCZCHUDLU-FQEVSTJZSA-N	1	1	303.490	4.875	10	0		DJAEMO
CCC[C@]1(c2cccc(O)c2)CC[N@@H+](CC2CCCCC2)C1	ZINC000584650690	337380910	/nfs/dbraw/zinc/38/09/10/337380910.db2.gz	MRZPLCRYKHVTBT-FQEVSTJZSA-N	1	1	301.474	4.716	10	0		DJAEMO
Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1cccc(Cl)c1	ZINC000247604977	341367981	/nfs/dbraw/zinc/36/79/81/341367981.db2.gz	LNMAVHAQIKILGB-CXAGYDPISA-N	1	1	317.864	4.588	10	0		DJAEMO
COc1cc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1Cl	ZINC000158172592	341652801	/nfs/dbraw/zinc/65/28/01/341652801.db2.gz	KDLGAGSDPNJXEF-RYUDHWBXSA-N	1	1	323.820	4.670	10	0		DJAEMO
Cc1ccc2oc([C@H]([NH3+])c3ccc(Br)cc3)cc2c1	ZINC000020389408	182213559	/nfs/dbraw/zinc/21/35/59/182213559.db2.gz	BVSLVJJMTTZPIM-MRXNPFEDSA-N	1	1	316.198	4.552	10	0		DJAEMO
COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1ccc(C)o1	ZINC000067439106	184466804	/nfs/dbraw/zinc/46/68/04/184466804.db2.gz	ICGHZOQLHRBNFX-JTQLQIEISA-N	1	1	314.212	4.754	10	0		DJAEMO
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nc3ccc(Cl)cc3n2C)o1	ZINC000091264919	332102618	/nfs/dbraw/zinc/10/26/18/332102618.db2.gz	MRXQCKGPSBUUQW-VXGBXAGGSA-N	1	1	317.820	4.540	10	0		DJAEMO
Cc1ccccc1[C@H](C)[NH2+]Cc1ncc(-c2ccccc2F)o1	ZINC000181539027	337182906	/nfs/dbraw/zinc/18/29/06/337182906.db2.gz	LRYJGLQHHWQJHO-AWEZNQCLSA-N	1	1	310.372	4.640	10	0		DJAEMO
C[C@@H]([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)c1cccs1	ZINC000181895370	337185150	/nfs/dbraw/zinc/18/51/50/337185150.db2.gz	JSKGFDMZXHTHHG-LLVKDONJSA-N	1	1	318.829	4.907	10	0		DJAEMO
CC[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1cccs1	ZINC000184059299	337196919	/nfs/dbraw/zinc/19/69/19/337196919.db2.gz	KTGQZAJWFQNMQV-AWEZNQCLSA-N	1	1	316.401	4.783	10	0		DJAEMO
Cc1cccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)c1C	ZINC000186048245	337253098	/nfs/dbraw/zinc/25/30/98/337253098.db2.gz	QZJDJCFSGUSSMJ-QGZVFWFLSA-N	1	1	317.436	4.611	10	0		DJAEMO
Cc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)n1	ZINC000181545066	525021566	/nfs/dbraw/zinc/02/15/66/525021566.db2.gz	FCMJHSFPMIFOPY-JKSUJKDBSA-N	1	1	321.424	4.765	10	0		DJAEMO
CS[C@@H](C)CC[N@@H+](Cc1sccc1C)Cc1ccccn1	ZINC000055109316	563471922	/nfs/dbraw/zinc/47/19/22/563471922.db2.gz	FCFZAVOXXWLUNX-HNNXBMFYSA-N	1	1	320.527	4.595	10	0		DJAEMO
CC[N@H+](Cc1cccc(Cl)c1Br)CC(C)C	ZINC000669378379	563869650	/nfs/dbraw/zinc/86/96/50/563869650.db2.gz	CAIIYXKWQHYTET-UHFFFAOYSA-N	1	1	304.659	4.580	10	0		DJAEMO