smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)SCc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1	ZINC000160430109	348018337	/nfs/dbraw/zinc/01/83/37/348018337.db2.gz	RVCRIMHPRCPMJL-ZDUSSCGKSA-N	1	0	278.421	2.876	50	70		CFIARO
CC(C)CCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](O)C1	ZINC000217458077	382786786	/nfs/dbraw/zinc/78/67/86/382786786.db2.gz	DQGPHJQYJAUJOV-SFHVURJKSA-N	1	0	290.451	2.601	50	70		CFIARO
Cc1ccc(CCC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1	ZINC000218350334	280803802	/nfs/dbraw/zinc/80/38/02/280803802.db2.gz	HJNPXXUVRNLUJZ-UHFFFAOYSA-N	1	0	286.419	2.530	50	70		CFIARO
Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]C2)c1	ZINC000161308016	378837022	/nfs/dbraw/zinc/83/70/22/378837022.db2.gz	PJQWVVFVTDYXKM-HUUCEWRRSA-N	1	0	274.408	2.822	50	70		CFIARO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)C2	ZINC000217024912	382785567	/nfs/dbraw/zinc/78/55/67/382785567.db2.gz	BPWQPBZVYSUMAM-IGKNDFSCSA-N	1	0	298.430	2.589	50	70		CFIARO
CCCc1ccc(CN2CC[NH+](CCSC)CC2)o1	ZINC000217477317	382786718	/nfs/dbraw/zinc/78/67/18/382786718.db2.gz	JUXIUJZIIWRJJJ-UHFFFAOYSA-N	1	0	282.453	2.713	50	70		CFIARO
O=C(CC[NH2+]Cc1ccc(Cl)cc1F)N1CCCC1	ZINC000160663349	348019826	/nfs/dbraw/zinc/01/98/26/348019826.db2.gz	MVNKNJOCNUBDPH-UHFFFAOYSA-N	1	0	284.762	2.581	50	70		CFIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](C/C=C/c1ccc(F)cc1)C2	ZINC000217711376	189711406	/nfs/dbraw/zinc/71/14/06/189711406.db2.gz	DOGUZJJWIDZUMQ-QWEWQFGXSA-N	1	0	261.340	2.542	50	70		CFIARO
O=C(CCC1CCOCC1)NCC[NH2+]C1CCCCCC1	ZINC000159729809	378727477	/nfs/dbraw/zinc/72/74/77/378727477.db2.gz	OYCSETUDHOWKJS-UHFFFAOYSA-N	1	0	296.455	2.622	50	70		CFIARO
Fc1ccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1F	ZINC000216967892	382785214	/nfs/dbraw/zinc/78/52/14/382785214.db2.gz	JJXLLLBXWQJZNZ-JTQLQIEISA-N	1	0	263.291	2.822	50	70		CFIARO
Clc1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1	ZINC000160430098	282540864	/nfs/dbraw/zinc/54/08/64/282540864.db2.gz	WQQRRMKKXCKJIC-CYBMUJFWSA-N	1	0	280.803	2.585	50	70		CFIARO
[NH3+]C[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1	ZINC000160372362	378766685	/nfs/dbraw/zinc/76/66/85/378766685.db2.gz	DTXBSQKQCRAXPY-LJLILKBBSA-N	1	0	298.308	2.668	50	70		CFIARO
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1	ZINC000161293054	378836916	/nfs/dbraw/zinc/83/69/16/378836916.db2.gz	MXVQTTPSDPQOQW-BZUAXINKSA-N	1	0	286.419	2.699	50	70		CFIARO
C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C	ZINC000161205494	277276802	/nfs/dbraw/zinc/27/68/02/277276802.db2.gz	UZQXMKKIRPWKFN-GJZGRUSLSA-N	1	0	274.408	2.699	50	70		CFIARO
Cc1cc(CCCC(=O)N2CCC[C@@H]2C[NH3+])c(C)s1	ZINC000160396952	378768444	/nfs/dbraw/zinc/76/84/44/378768444.db2.gz	GJJTXTWEPBLWCT-CQSZACIVSA-N	1	0	280.437	2.637	50	70		CFIARO
CC[C@H](Nc1cc(C2CC(O)C2)[nH+]c(N)n1)c1ccccc1	ZINC000218741985	382790512	/nfs/dbraw/zinc/79/05/12/382790512.db2.gz	UOUPNUOMTDHTDJ-RUXDESIVSA-N	1	0	298.390	2.860	50	70		CFIARO
Cc1cc(Cl)ccc1C(=O)NCC1CC[NH+](C)CC1	ZINC000159905487	322329798	/nfs/dbraw/zinc/32/97/98/322329798.db2.gz	FGHBJFLVWLGJCX-UHFFFAOYSA-N	1	0	280.799	2.720	50	70		CFIARO
Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c(F)c1	ZINC000216967912	348164585	/nfs/dbraw/zinc/16/45/85/348164585.db2.gz	IPZKCQVOWFBQSY-SECBINFHSA-N	1	0	263.291	2.822	50	70		CFIARO
O=C(CC[NH+]1CCCC1)N1CCC[C@H](c2ccccc2)C1	ZINC000217208914	189709337	/nfs/dbraw/zinc/70/93/37/189709337.db2.gz	RYPXGLHUSLITQV-KRWDZBQOSA-N	1	0	286.419	2.879	50	70		CFIARO
Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@@H]2CCC[NH2+]C2)c1	ZINC000161308143	378837554	/nfs/dbraw/zinc/83/75/54/378837554.db2.gz	PJQWVVFVTDYXKM-LSDHHAIUSA-N	1	0	274.408	2.822	50	70		CFIARO
Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)C2CC[NH2+]CC2)C1	ZINC000161289210	378836281	/nfs/dbraw/zinc/83/62/81/378836281.db2.gz	ZFGLEYZQFGUTIU-HOCLYGCPSA-N	1	0	286.419	2.699	50	70		CFIARO
COc1cc(CN2CC[C@H]([NH3+])C2)ccc1OCC=C(C)C	ZINC000217555652	382786909	/nfs/dbraw/zinc/78/69/09/382786909.db2.gz	RVYAFZFUZAGXBQ-HNNXBMFYSA-N	1	0	290.407	2.573	50	70		CFIARO
Cc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)c(N)[nH+]1	ZINC000218442881	382790306	/nfs/dbraw/zinc/79/03/06/382790306.db2.gz	UCHZVAIYUJUBHI-CYBMUJFWSA-N	1	0	281.359	2.568	50	70		CFIARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cc[nH]c1	ZINC000218741677	382790584	/nfs/dbraw/zinc/79/05/84/382790584.db2.gz	YNBGSWDYTWUOOX-QGZVFWFLSA-N	1	0	297.402	2.972	50	70		CFIARO
O=C(CC[NH+]1CCCC1)N1CCC[C@@H](c2ccccc2)C1	ZINC000217208906	393757080	/nfs/dbraw/zinc/75/70/80/393757080.db2.gz	RYPXGLHUSLITQV-QGZVFWFLSA-N	1	0	286.419	2.879	50	70		CFIARO
C[C@H](c1ccc(CN(C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210503	393757112	/nfs/dbraw/zinc/75/71/12/393757112.db2.gz	QKDSKGUXVCGSDY-CYBMUJFWSA-N	1	0	272.396	2.664	50	70		CFIARO
Cc1occc1C(=O)NC[C@@H]1CCCN(c2ccccn2)C1	ZINC000218652907	393758607	/nfs/dbraw/zinc/75/86/07/393758607.db2.gz	CJNNVETUELDZRQ-AWEZNQCLSA-N	1	0	299.374	2.629	50	70		CFIARO
Clc1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1	ZINC000160430240	274885024	/nfs/dbraw/zinc/88/50/24/274885024.db2.gz	WQQRRMKKXCKJIC-ZDUSSCGKSA-N	1	0	280.803	2.585	50	70		CFIARO
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCC[NH2+]C2)C1	ZINC000161292824	302167225	/nfs/dbraw/zinc/16/72/25/302167225.db2.gz	MXVQTTPSDPQOQW-ARFHVFGLSA-N	1	0	286.419	2.699	50	70		CFIARO
CC1(C)C[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000160955062	520562119	/nfs/dbraw/zinc/56/21/19/520562119.db2.gz	NOEXGNGDKIWVJD-AWEZNQCLSA-N	1	0	264.413	2.556	50	70		CFIARO
CSc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)c1	ZINC000216961020	189707606	/nfs/dbraw/zinc/70/76/06/189707606.db2.gz	VYLUFFPEVUAAJB-NHAGDIPZSA-N	1	0	263.406	2.611	50	70		CFIARO
c1csc(CN(Cc2ccccc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)n1	ZINC000217913510	382788426	/nfs/dbraw/zinc/78/84/26/382788426.db2.gz	UGEKACSGFPDIAD-ZSHCYNCHSA-N	1	0	299.443	2.611	50	70		CFIARO
NC(=O)c1ccccc1C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000218385825	382790319	/nfs/dbraw/zinc/79/03/19/382790319.db2.gz	AZPDSKVHYADFSR-GOEBONIOSA-N	1	0	272.392	2.593	50	70		CFIARO
CC[C@H](NC(=O)CC[NH+]1CCCC1)c1nc(C)c(C)s1	ZINC000218630827	393758332	/nfs/dbraw/zinc/75/83/32/393758332.db2.gz	UZZFXCNWRXXUIF-ZDUSSCGKSA-N	1	0	295.452	2.813	50	70		CFIARO
Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C2CC[NH2+]CC2)C1	ZINC000161289368	302221487	/nfs/dbraw/zinc/22/14/87/302221487.db2.gz	ZFGLEYZQFGUTIU-ZBFHGGJFSA-N	1	0	286.419	2.699	50	70		CFIARO
C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2ccccc2)n1C	ZINC000161322858	188522013	/nfs/dbraw/zinc/52/20/13/188522013.db2.gz	HPJFKLWOMDHGHE-HNNXBMFYSA-N	1	0	297.402	2.516	50	70		CFIARO
C[C@H](CNC(=O)CCCCc1ccccc1)n1ccnc1	ZINC000218020487	382788711	/nfs/dbraw/zinc/78/87/11/382788711.db2.gz	GRWHTTFQHFDZLA-OAHLLOKOSA-N	1	0	285.391	2.973	50	70		CFIARO
O=C(NC[C@H](c1ccccc1)[NH+]1CCCCC1)c1cnco1	ZINC000218009241	382788948	/nfs/dbraw/zinc/78/89/48/382788948.db2.gz	CCSVXIQFNSFSSN-OAHLLOKOSA-N	1	0	299.374	2.632	50	70		CFIARO
CCO[C@H]1C[N@H+](Cc2ccc(C3CCCC3)s2)C[C@@H]1O	ZINC000218631152	393758631	/nfs/dbraw/zinc/75/86/31/393758631.db2.gz	XNTDXSGNWGDWIN-GJZGRUSLSA-N	1	0	295.448	2.987	50	70		CFIARO
Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(C)c1	ZINC000160591796	378784992	/nfs/dbraw/zinc/78/49/92/378784992.db2.gz	PQZBXLOKNAEZHA-NSHDSACASA-N	1	0	288.313	2.633	50	70		CFIARO
Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)c1	ZINC000216967848	382785299	/nfs/dbraw/zinc/78/52/99/382785299.db2.gz	OINPEEKRDGLXSB-VIFPVBQESA-N	1	0	263.291	2.822	50	70		CFIARO
Cc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)c(N)[nH+]1	ZINC000218442968	382790333	/nfs/dbraw/zinc/79/03/33/382790333.db2.gz	UCHZVAIYUJUBHI-ZDUSSCGKSA-N	1	0	281.359	2.568	50	70		CFIARO
CCOc1cc2c(cc1CN1CC[N@H+](C)[C@@H](C)C1)CCC2	ZINC000217216694	393757062	/nfs/dbraw/zinc/75/70/62/393757062.db2.gz	HFGYBFQJBNLYRI-AWEZNQCLSA-N	1	0	288.435	2.710	50	70		CFIARO
CC[C@@H](NC(=O)CC[NH+]1CCCC1)c1nc(C)c(C)s1	ZINC000218630749	393758601	/nfs/dbraw/zinc/75/86/01/393758601.db2.gz	UZZFXCNWRXXUIF-CYBMUJFWSA-N	1	0	295.452	2.813	50	70		CFIARO
CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1cc2ccccc2o1	ZINC000161413231	378844997	/nfs/dbraw/zinc/84/49/97/378844997.db2.gz	CITKMWSJKGKNTC-AWEZNQCLSA-N	1	0	274.364	2.765	50	70		CFIARO
[NH3+]CCCCCCC(=O)N1CCS[C@@H]2CCCC[C@H]21	ZINC000161426492	378846753	/nfs/dbraw/zinc/84/67/53/378846753.db2.gz	QXYFNUIBZQEHDE-ZIAGYGMSSA-N	1	0	284.469	2.782	50	70		CFIARO
CC(C)c1cc(C[NH2+]C2CCC3(CC2)OCCO3)on1	ZINC000161483713	378850537	/nfs/dbraw/zinc/85/05/37/378850537.db2.gz	OPPSTQRVVUPPLF-UHFFFAOYSA-N	1	0	280.368	2.573	50	70		CFIARO
CC[N@H+](C)Cc1cnc(NCc2ccccc2)nc1	ZINC000218309835	382789765	/nfs/dbraw/zinc/78/97/65/382789765.db2.gz	AISGXWHOGFANFR-UHFFFAOYSA-N	1	0	256.353	2.540	50	70		CFIARO
Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1F	ZINC000216967875	382785249	/nfs/dbraw/zinc/78/52/49/382785249.db2.gz	JJXLLLBXWQJZNZ-SNVBAGLBSA-N	1	0	263.291	2.822	50	70		CFIARO
C[NH2+]C[C@H]1CCCN1C(=O)/C=C(/C)c1ccc(F)cc1F	ZINC000161387119	348024185	/nfs/dbraw/zinc/02/41/85/348024185.db2.gz	ZDCLGCPOOJRCCK-BIRHUZIMSA-N	1	0	294.345	2.579	50	70		CFIARO
CCc1nccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1	ZINC000217446765	382786985	/nfs/dbraw/zinc/78/69/85/382786985.db2.gz	OBKXHQJKOIZEBV-QGZVFWFLSA-N	1	0	296.418	2.528	50	70		CFIARO
C[NH2+]C[C@@H]1CCCN1C(=O)/C=C(/C)c1ccc(F)cc1F	ZINC000161387254	348024727	/nfs/dbraw/zinc/02/47/27/348024727.db2.gz	ZDCLGCPOOJRCCK-ZWXCPPHNSA-N	1	0	294.345	2.579	50	70		CFIARO
C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C	ZINC000161205582	378831560	/nfs/dbraw/zinc/83/15/60/378831560.db2.gz	UZQXMKKIRPWKFN-CABCVRRESA-N	1	0	274.408	2.699	50	70		CFIARO
[NH3+]C1CC(c2cc(NCCCOc3ccccc3)ncn2)C1	ZINC000218587576	393758655	/nfs/dbraw/zinc/75/86/55/393758655.db2.gz	SRCTXBNWNRJKRT-UHFFFAOYSA-N	1	0	298.390	2.562	50	70		CFIARO
c1cn(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cn1	ZINC000159855997	378735442	/nfs/dbraw/zinc/73/54/42/378735442.db2.gz	FPOBHXNAOWBOIN-OAHLLOKOSA-N	1	0	287.432	2.997	50	70		CFIARO
C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2ccccc2)n1C	ZINC000161322992	378839763	/nfs/dbraw/zinc/83/97/63/378839763.db2.gz	HPJFKLWOMDHGHE-OAHLLOKOSA-N	1	0	297.402	2.516	50	70		CFIARO
Cc1cccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1	ZINC000217198495	393756634	/nfs/dbraw/zinc/75/66/34/393756634.db2.gz	VTXDCMFQXRPPMT-GOSISDBHSA-N	1	0	281.403	2.879	50	70		CFIARO
[NH3+]C[C@@H](Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000160390320	378768368	/nfs/dbraw/zinc/76/83/68/378768368.db2.gz	BJXJOJDKSOQSSI-MRVPVSSYSA-N	1	0	294.346	2.876	50	70		CFIARO
[NH3+]CCCCCCC(=O)N1CCS[C@H]2CCCC[C@H]21	ZINC000161426625	378845926	/nfs/dbraw/zinc/84/59/26/378845926.db2.gz	QXYFNUIBZQEHDE-KGLIPLIRSA-N	1	0	284.469	2.782	50	70		CFIARO
Cc1cccc(CC(=O)NCCC23CCC[NH+]2CCC3)c1	ZINC000218252137	382790103	/nfs/dbraw/zinc/79/01/03/382790103.db2.gz	ICXCZMAUXBIUIV-UHFFFAOYSA-N	1	0	286.419	2.672	50	70		CFIARO
Cc1occc1C(=O)NC[C@H]1CCCN(c2ccccn2)C1	ZINC000218652986	393758525	/nfs/dbraw/zinc/75/85/25/393758525.db2.gz	CJNNVETUELDZRQ-CQSZACIVSA-N	1	0	299.374	2.629	50	70		CFIARO
CC(C)SCc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1	ZINC000160429988	348017925	/nfs/dbraw/zinc/01/79/25/348017925.db2.gz	RVCRIMHPRCPMJL-CYBMUJFWSA-N	1	0	278.421	2.876	50	70		CFIARO
[NH3+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(C(F)(F)F)cc1	ZINC000160372235	188468760	/nfs/dbraw/zinc/46/87/60/188468760.db2.gz	DTXBSQKQCRAXPY-OQHXTRMZSA-N	1	0	298.308	2.668	50	70		CFIARO
Cc1ccccc1OCC[NH2+]C1CCC2(CC1)OCCO2	ZINC000161336016	188522385	/nfs/dbraw/zinc/52/23/85/188522385.db2.gz	LYLSVCKWAUYFGE-UHFFFAOYSA-N	1	0	291.391	2.649	50	70		CFIARO
CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)nc1	ZINC000217192657	393756969	/nfs/dbraw/zinc/75/69/69/393756969.db2.gz	DZFGUWKESBJMFN-FOLVSLTJSA-N	1	0	260.381	2.501	50	70		CFIARO
Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C2CC[NH2+]CC2)C1	ZINC000161289299	378836125	/nfs/dbraw/zinc/83/61/25/378836125.db2.gz	ZFGLEYZQFGUTIU-GDBMZVCRSA-N	1	0	286.419	2.699	50	70		CFIARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cc[nH]c1	ZINC000218741615	382790612	/nfs/dbraw/zinc/79/06/12/382790612.db2.gz	YNBGSWDYTWUOOX-KRWDZBQOSA-N	1	0	297.402	2.972	50	70		CFIARO
O=C(C[NH+]1CCCCCC1)NCc1ccc2ccccc2n1	ZINC000217179170	393757135	/nfs/dbraw/zinc/75/71/35/393757135.db2.gz	PFZOYKVQPZCYGG-UHFFFAOYSA-N	1	0	297.402	2.727	50	70		CFIARO
[NH3+]CCCCCCC(=O)N1CCS[C@@H]2CCCC[C@@H]21	ZINC000161426718	188527530	/nfs/dbraw/zinc/52/75/30/188527530.db2.gz	QXYFNUIBZQEHDE-UONOGXRCSA-N	1	0	284.469	2.782	50	70		CFIARO
CCSCc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1	ZINC000161480908	188530217	/nfs/dbraw/zinc/53/02/17/188530217.db2.gz	SEJGJZQBXDGKDU-ZDUSSCGKSA-N	1	0	264.394	2.630	50	70		CFIARO
Cc1ccc(Cl)c(C(=O)N2CC([NH+]3CCCCC3)C2)c1	ZINC000218257948	382789973	/nfs/dbraw/zinc/78/99/73/382789973.db2.gz	KCWJFFUFEAITJT-UHFFFAOYSA-N	1	0	292.810	2.959	50	70		CFIARO
Fc1ccc(-c2c[nH]nc2[C@H]2CCC[NH2+]C2)c(F)c1	ZINC000216967927	348164544	/nfs/dbraw/zinc/16/45/44/348164544.db2.gz	IPZKCQVOWFBQSY-VIFPVBQESA-N	1	0	263.291	2.822	50	70		CFIARO
Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c(C)c1	ZINC000160591701	378783712	/nfs/dbraw/zinc/78/37/12/378783712.db2.gz	PQZBXLOKNAEZHA-LLVKDONJSA-N	1	0	288.313	2.633	50	70		CFIARO
Cc1ccc(C)c([C@H](C)N(C)C(=O)[C@H]2CCC[NH2+]C2)c1	ZINC000161308395	378837876	/nfs/dbraw/zinc/83/78/76/378837876.db2.gz	PJQWVVFVTDYXKM-GJZGRUSLSA-N	1	0	274.408	2.822	50	70		CFIARO
Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1	ZINC000216967832	382785279	/nfs/dbraw/zinc/78/52/79/382785279.db2.gz	OINPEEKRDGLXSB-SECBINFHSA-N	1	0	263.291	2.822	50	70		CFIARO
O[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc3cc(F)ccc3n1)C2	ZINC000217441050	382786835	/nfs/dbraw/zinc/78/68/35/382786835.db2.gz	FETARAXTZWSIPK-LAQFHYBYSA-N	1	0	286.350	2.577	50	70		CFIARO
C[C@@H]1C[N@@H+](Cc2ccc3ccn(C)c3c2)C[C@H](C)O1	ZINC000218677979	382790672	/nfs/dbraw/zinc/79/06/72/382790672.db2.gz	QTHZHGDKFXKKLH-BETUJISGSA-N	1	0	258.365	2.788	50	70		CFIARO
Cc1cc(CCCC(=O)N2CCC[C@H]2C[NH3+])c(C)s1	ZINC000160397090	291885092	/nfs/dbraw/zinc/88/50/92/291885092.db2.gz	GJJTXTWEPBLWCT-AWEZNQCLSA-N	1	0	280.437	2.637	50	70		CFIARO
C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3[nH]ccc3c1)C2	ZINC000217442364	382786898	/nfs/dbraw/zinc/78/68/98/382786898.db2.gz	DMRNYCCBSKFHLE-QLPKVWCKSA-N	1	0	297.402	2.580	50	70		CFIARO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cnco1	ZINC000218009155	397620935	/nfs/dbraw/zinc/62/09/35/397620935.db2.gz	CCSVXIQFNSFSSN-HNNXBMFYSA-N	1	0	299.374	2.632	50	70		CFIARO
[NH3+]C[C@H](Nc1nnc(C(F)(F)F)s1)C1CCCCC1	ZINC000160390453	378768416	/nfs/dbraw/zinc/76/84/16/378768416.db2.gz	BJXJOJDKSOQSSI-QMMMGPOBSA-N	1	0	294.346	2.876	50	70		CFIARO
[NH3+]CCCCCCC(=O)N1CCS[C@H]2CCCC[C@@H]21	ZINC000161426814	378846706	/nfs/dbraw/zinc/84/67/06/378846706.db2.gz	QXYFNUIBZQEHDE-KBPBESRZSA-N	1	0	284.469	2.782	50	70		CFIARO
c1cn(CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)cn1	ZINC000159856094	378736195	/nfs/dbraw/zinc/73/61/95/378736195.db2.gz	FPOBHXNAOWBOIN-HNNXBMFYSA-N	1	0	287.432	2.997	50	70		CFIARO
C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C	ZINC000161205420	290724943	/nfs/dbraw/zinc/72/49/43/290724943.db2.gz	UZQXMKKIRPWKFN-HUUCEWRRSA-N	1	0	274.408	2.699	50	70		CFIARO
C[C@@H](CNC(=O)CCCCc1ccccc1)n1ccnc1	ZINC000218020399	382788842	/nfs/dbraw/zinc/78/88/42/382788842.db2.gz	GRWHTTFQHFDZLA-HNNXBMFYSA-N	1	0	285.391	2.973	50	70		CFIARO
C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C	ZINC000161205348	283594155	/nfs/dbraw/zinc/59/41/55/283594155.db2.gz	UZQXMKKIRPWKFN-LSDHHAIUSA-N	1	0	274.408	2.699	50	70		CFIARO
COc1cc(CN2CC[C@@H]([NH3+])C2)ccc1OCC=C(C)C	ZINC000217555555	189710379	/nfs/dbraw/zinc/71/03/79/189710379.db2.gz	RVYAFZFUZAGXBQ-OAHLLOKOSA-N	1	0	290.407	2.573	50	70		CFIARO
Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1C1CCCCC1	ZINC000160227566	378758368	/nfs/dbraw/zinc/75/83/68/378758368.db2.gz	WRTHVVLGAJFOAE-CQSZACIVSA-N	1	0	289.423	2.783	50	70		CFIARO
Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C2CC[NH2+]CC2)C1	ZINC000161289090	378835484	/nfs/dbraw/zinc/83/54/84/378835484.db2.gz	ZFGLEYZQFGUTIU-GOEBONIOSA-N	1	0	286.419	2.699	50	70		CFIARO
CN(CC[NH+]1CCCC1)Cc1ccc2c(ccn2C)c1	ZINC000218387470	382790355	/nfs/dbraw/zinc/79/03/55/382790355.db2.gz	WZPRWVDCQISKQT-UHFFFAOYSA-N	1	0	271.408	2.706	50	70		CFIARO
C[C@@H](c1ccc(CN(C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210498	287133178	/nfs/dbraw/zinc/13/31/78/287133178.db2.gz	QKDSKGUXVCGSDY-ZDUSSCGKSA-N	1	0	272.396	2.664	50	70		CFIARO
COC1CC[NH+](C2CCN(C(=O)CC(C)(C)C)CC2)CC1	ZINC000217751027	348165002	/nfs/dbraw/zinc/16/50/02/348165002.db2.gz	KXAFZQZKJZZIEN-UHFFFAOYSA-N	1	0	296.455	2.524	50	70		CFIARO
Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(CO)CCCC2)o1	ZINC000160103512	322332978	/nfs/dbraw/zinc/33/29/78/322332978.db2.gz	FMEXUXUKIBJSNP-UHFFFAOYSA-N	1	0	289.379	2.620	50	70		CFIARO
CCCn1ccnc1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1	ZINC000217061577	570307642	/nfs/dbraw/zinc/30/76/42/570307642.db2.gz	OMZAGCBHUDUEEA-QGZVFWFLSA-N	1	0	298.434	2.782	50	70		CFIARO
Cc1ccc(C)c([C@@H](C)N(C)C(=O)[C@H]2CCC[NH2+]C2)c1	ZINC000161308265	378836947	/nfs/dbraw/zinc/83/69/47/378836947.db2.gz	PJQWVVFVTDYXKM-CABCVRRESA-N	1	0	274.408	2.822	50	70		CFIARO
C[N@@H+]1C[C@@H]2CC[C@H]1CN(C(=O)c1cc3ccccc3o1)C2	ZINC000217473598	382786823	/nfs/dbraw/zinc/78/68/23/382786823.db2.gz	GQDUSCHPKXSTON-JSGCOSHPSA-N	1	0	284.359	2.599	50	70		CFIARO
[NH3+]C1CC(c2cc(NC3CCC3)nc(C3CC3)n2)C1	ZINC000218408799	382790323	/nfs/dbraw/zinc/79/03/23/382790323.db2.gz	JQBGEZBCHOZDAD-UHFFFAOYSA-N	1	0	258.369	2.523	50	70		CFIARO