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+][C@@H](C)c1ccccc1)c1ccc(C[NH+](C)C)cc1	ZINC000083293706	256702008	/nfs/dbraw/zinc/70/20/08/256702008.db2.gz	BETPYJOWFACSHO-JKSUJKDBSA-N	2	0	282.431	4.160	10	0		CIAERP
CCCCC[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000019999594	170965230	/nfs/dbraw/zinc/96/52/30/170965230.db2.gz	XQHUQRHUBMBOAD-HOTGVXAUSA-N	2	0	256.478	4.055	10	0		CIAERP
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020545753	171243749	/nfs/dbraw/zinc/24/37/49/171243749.db2.gz	UIOAKPSAJGFQLE-CVEARBPZSA-N	2	0	294.527	4.490	10	0		CIAERP
CCc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000020546332	171243982	/nfs/dbraw/zinc/24/39/82/171243982.db2.gz	KKGJYPTUVLSVPC-CQSZACIVSA-N	2	0	288.479	4.209	10	0		CIAERP
C([NH2+]C1CCCCC1)C1([NH+]2CCCCC2)CCCCC1	ZINC000021815288	171332209	/nfs/dbraw/zinc/33/22/09/171332209.db2.gz	JSYATDAPDTWDTM-UHFFFAOYSA-N	2	0	278.484	4.098	10	0		CIAERP
CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccs1	ZINC000038042010	174044409	/nfs/dbraw/zinc/04/44/09/174044409.db2.gz	BBJOEMLYKXAKPE-RDJZCZTQSA-N	2	0	294.508	4.157	10	0		CIAERP
CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccc1	ZINC000038042043	174044573	/nfs/dbraw/zinc/04/45/73/174044573.db2.gz	NLXKVUCVRCVTFM-IEBWSBKVSA-N	2	0	288.479	4.095	10	0		CIAERP
CCC1CCC([N@H+](C)[C@@H](C)CCC[NH2+]C(C)C)CC1	ZINC000052345609	519853243	/nfs/dbraw/zinc/85/32/43/519853243.db2.gz	SJAMULGTMZBOJL-GTPINHCMSA-N	2	0	268.489	4.054	10	0		CIAERP
CCC[NH2+]CCCCC[N@H+](C)C1CCC(CC)CC1	ZINC000052345619	519912008	/nfs/dbraw/zinc/91/20/08/519912008.db2.gz	APCQLLAKNMBNII-UHFFFAOYSA-N	2	0	268.489	4.057	10	0		CIAERP
CCC1CCC([N@H+](C)[C@H](C)CC[NH2+]C(C)(C)C)CC1	ZINC000052345653	519853690	/nfs/dbraw/zinc/85/36/90/519853690.db2.gz	YCGJQCFWGQYQHN-QQFBHYJXSA-N	2	0	268.489	4.054	10	0		CIAERP
CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1	ZINC000020013299	170969197	/nfs/dbraw/zinc/96/91/97/170969197.db2.gz	FMTXEABURDFTCY-APWZRJJASA-N	2	0	288.479	4.197	10	0		CIAERP
CCCCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C	ZINC000020520009	171234059	/nfs/dbraw/zinc/23/40/59/171234059.db2.gz	PACMNHCUTMLFCZ-SJORKVTESA-N	2	0	268.489	4.199	10	0		CIAERP
C1=CC[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000021517110	171313218	/nfs/dbraw/zinc/31/32/18/171313218.db2.gz	IRZIHGWCKWDNJG-GOSISDBHSA-N	2	0	290.495	4.121	10	0		CIAERP
C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1	ZINC000038041669	174043108	/nfs/dbraw/zinc/04/31/08/174043108.db2.gz	LWIIBANFUUDGCK-CABCVRRESA-N	2	0	294.870	4.113	10	0		CIAERP
CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C	ZINC000379622545	330143441	/nfs/dbraw/zinc/14/34/41/330143441.db2.gz	GSLBUXZUJZXLAY-UHOSZYNNSA-N	2	0	288.479	4.064	10	0		CIAERP
CCCC[N@H+]([C@@H](C)CC)[C@@H](C)CCC[NH2+]CC(C)C	ZINC000052372763	520552895	/nfs/dbraw/zinc/55/28/95/520552895.db2.gz	ZJZHKRIOEFEUTO-IRXDYDNUSA-N	2	0	270.505	4.301	10	0		CIAERP
CCC(CC)C[N@H+](CC)[C@H](C)CCC[NH2+]CC(C)C	ZINC000052540713	521524135	/nfs/dbraw/zinc/52/41/35/521524135.db2.gz	WNINUNMJPPXESU-MRXNPFEDSA-N	2	0	270.505	4.159	10	0		CIAERP
CCCCCC[NH2+]Cc1ccc(C[NH+](CC)CC)cc1	ZINC000020361923	171160252	/nfs/dbraw/zinc/16/02/52/171160252.db2.gz	BESWKNJCGVQBTD-UHFFFAOYSA-N	2	0	276.468	4.198	10	0		CIAERP
CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020545754	171243551	/nfs/dbraw/zinc/24/35/51/171243551.db2.gz	UIOAKPSAJGFQLE-HOTGVXAUSA-N	2	0	294.527	4.490	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C	ZINC000020552083	171247408	/nfs/dbraw/zinc/24/74/08/171247408.db2.gz	GNMKPDFPGQETGH-ROUUACIJSA-N	2	0	290.495	4.465	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C	ZINC000020552084	171247477	/nfs/dbraw/zinc/24/74/77/171247477.db2.gz	GNMKPDFPGQETGH-QZTJIDSGSA-N	2	0	290.495	4.465	10	0		CIAERP
C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC(C)(C)C1	ZINC000021816716	171332274	/nfs/dbraw/zinc/33/22/74/171332274.db2.gz	AWENVWRRPOYXEV-ULQDDVLXSA-N	2	0	280.500	4.055	10	0		CIAERP
Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000038041639	174043134	/nfs/dbraw/zinc/04/31/34/174043134.db2.gz	NHCOQTJZEHKOOF-SJLPKXTDSA-N	2	0	288.479	4.076	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+]CC1CCCCCC1	ZINC000089556950	333100125	/nfs/dbraw/zinc/10/01/25/333100125.db2.gz	FLTHYSVGNNTPPE-INIZCTEOSA-N	2	0	268.489	4.057	10	0		CIAERP
CC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1	ZINC000080428445	334171317	/nfs/dbraw/zinc/17/13/17/334171317.db2.gz	QFLFJSYJOXRNRF-QFBILLFUSA-N	2	0	288.479	4.197	10	0		CIAERP
CCC(CC)C[N@H+](CC)[C@@H](C)CCC[NH2+]CC(C)C	ZINC000052540712	521522183	/nfs/dbraw/zinc/52/21/83/521522183.db2.gz	WNINUNMJPPXESU-INIZCTEOSA-N	2	0	270.505	4.159	10	0		CIAERP
CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1	ZINC000021009194	171286046	/nfs/dbraw/zinc/28/60/46/171286046.db2.gz	VQRGUIWHBNXQIK-ROUUACIJSA-N	2	0	294.527	4.303	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000021792186	171324334	/nfs/dbraw/zinc/32/43/34/171324334.db2.gz	DUQBKNNJQBQMPI-IKGGRYGDSA-N	2	0	282.516	4.301	10	0		CIAERP
CC(C)Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1	ZINC000021801205	171326210	/nfs/dbraw/zinc/32/62/10/171326210.db2.gz	VQXSUTVIYHXFFC-INIZCTEOSA-N	2	0	290.495	4.124	10	0		CIAERP
CC(C)[C@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1	ZINC000038042044	174044391	/nfs/dbraw/zinc/04/43/91/174044391.db2.gz	NLXKVUCVRCVTFM-HKUYNNGSSA-N	2	0	288.479	4.095	10	0		CIAERP
Cc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)s1	ZINC000038041898	174044505	/nfs/dbraw/zinc/04/45/05/174044505.db2.gz	XLDKJKBNFISIDB-UKRRQHHQSA-N	2	0	294.508	4.138	10	0		CIAERP
C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1	ZINC000226325703	333257036	/nfs/dbraw/zinc/25/70/36/333257036.db2.gz	VFIUJUVQBOZDGZ-HOTGVXAUSA-N	2	0	288.479	4.106	10	0		CIAERP
CC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1	ZINC000080427755	334171215	/nfs/dbraw/zinc/17/12/15/334171215.db2.gz	NEXZIVPXDIVNMJ-APWZRJJASA-N	2	0	288.479	4.197	10	0		CIAERP
CCc1ccc([C@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000020546333	171244135	/nfs/dbraw/zinc/24/41/35/171244135.db2.gz	KKGJYPTUVLSVPC-AWEZNQCLSA-N	2	0	288.479	4.209	10	0		CIAERP
C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(C)(C)C)cc1	ZINC000020547122	171244552	/nfs/dbraw/zinc/24/45/52/171244552.db2.gz	NBKBEFBDGSMCRY-OAHLLOKOSA-N	2	0	290.495	4.223	10	0		CIAERP
CC[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C)cc1	ZINC000021800662	171325958	/nfs/dbraw/zinc/32/59/58/171325958.db2.gz	GFFOFUVSWXRRKH-HKUYNNGSSA-N	2	0	288.479	4.300	10	0		CIAERP
C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C)CC(C)(C)C1	ZINC000021804322	171326912	/nfs/dbraw/zinc/32/69/12/171326912.db2.gz	DDHGKGGVQKDTDE-MAUKXSAKSA-N	2	0	288.479	4.053	10	0		CIAERP
C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC(C)(C)C1	ZINC000021816714	171332641	/nfs/dbraw/zinc/33/26/41/171332641.db2.gz	AWENVWRRPOYXEV-IKGGRYGDSA-N	2	0	280.500	4.055	10	0		CIAERP
Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1C	ZINC000038041858	174044582	/nfs/dbraw/zinc/04/45/82/174044582.db2.gz	VFMQQUFAAOPSEJ-CRAIPNDOSA-N	2	0	288.479	4.076	10	0		CIAERP
Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1C	ZINC000038041860	174044586	/nfs/dbraw/zinc/04/45/86/174044586.db2.gz	VFMQQUFAAOPSEJ-MAUKXSAKSA-N	2	0	288.479	4.076	10	0		CIAERP
CC(C)[N@H+](CCCC[NH2+]C(C)(C)C)Cc1cccs1	ZINC000052544913	519642711	/nfs/dbraw/zinc/64/27/11/519642711.db2.gz	OHNGYJSNNGEESV-UHFFFAOYSA-N	2	0	282.497	4.127	10	0		CIAERP
CCC1CCC([N@H+](C)[C@H](C)CCC[NH2+]C(C)C)CC1	ZINC000052345610	519853966	/nfs/dbraw/zinc/85/39/66/519853966.db2.gz	SJAMULGTMZBOJL-KLAILNCOSA-N	2	0	268.489	4.054	10	0		CIAERP
CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000019998649	170964927	/nfs/dbraw/zinc/96/49/27/170964927.db2.gz	FNISCAXVXNDHEO-IXDOHACOSA-N	2	0	270.505	4.301	10	0		CIAERP
Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c(C)c1	ZINC000021501201	171305292	/nfs/dbraw/zinc/30/52/92/171305292.db2.gz	BMUOZCOQKGFUST-ROUUACIJSA-N	2	0	288.479	4.219	10	0		CIAERP
C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)C)CC(C)(C)C1	ZINC000021804327	171326576	/nfs/dbraw/zinc/32/65/76/171326576.db2.gz	DDHGKGGVQKDTDE-YJBOKZPZSA-N	2	0	288.479	4.053	10	0		CIAERP
CC[NH2+]CCCCCCCCCCCC[NH2+]CC	ZINC000028219152	171550643	/nfs/dbraw/zinc/55/06/43/171550643.db2.gz	RNGSSLZSVXOUTN-UHFFFAOYSA-N	2	0	256.478	4.106	10	0		CIAERP
CC(C)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccs1	ZINC000038042009	174044534	/nfs/dbraw/zinc/04/45/34/174044534.db2.gz	BBJOEMLYKXAKPE-NVXWUHKLSA-N	2	0	294.508	4.157	10	0		CIAERP
CC[NH+](CC)Cc1c2ccccc2sc1C[NH2+]C(C)C	ZINC000045206370	175328549	/nfs/dbraw/zinc/32/85/49/175328549.db2.gz	GSELMNRHZJNRHC-UHFFFAOYSA-N	2	0	290.476	4.241	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1	ZINC000019914839	262205887	/nfs/dbraw/zinc/20/58/87/262205887.db2.gz	HODICMDWIYIYOL-ZMSDIMECSA-N	2	0	292.467	4.003	10	0		CIAERP
C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1	ZINC000226325708	333257020	/nfs/dbraw/zinc/25/70/20/333257020.db2.gz	VFIUJUVQBOZDGZ-CVEARBPZSA-N	2	0	288.479	4.106	10	0		CIAERP
CCC[NH2+]CCC[C@@H](C)[NH+]1CCC(CC)(CC)CC1	ZINC000062958497	519913404	/nfs/dbraw/zinc/91/34/04/519913404.db2.gz	CWALXXJNVOGKRG-MRXNPFEDSA-N	2	0	268.489	4.057	10	0		CIAERP
CCC1CCC([N@H+](C)[C@@H](C)CC[NH2+]C(C)(C)C)CC1	ZINC000052345652	519853355	/nfs/dbraw/zinc/85/33/55/519853355.db2.gz	YCGJQCFWGQYQHN-FHERZECASA-N	2	0	268.489	4.054	10	0		CIAERP
C[C@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CCCCCC1	ZINC000052482098	524140252	/nfs/dbraw/zinc/14/02/52/524140252.db2.gz	YAZCAGOTWHGLKT-OAHLLOKOSA-N	2	0	268.489	4.198	10	0		CIAERP
CCC(C)(C)C1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1	ZINC000020553470	171248807	/nfs/dbraw/zinc/24/88/07/171248807.db2.gz	VMUMDBLPFKXPAQ-UHFFFAOYSA-N	2	0	282.516	4.159	10	0		CIAERP
CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1	ZINC000021009193	171286131	/nfs/dbraw/zinc/28/61/31/171286131.db2.gz	VQRGUIWHBNXQIK-ZWKOTPCHSA-N	2	0	294.527	4.303	10	0		CIAERP
C[C@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)C1	ZINC000021794333	171324880	/nfs/dbraw/zinc/32/48/80/171324880.db2.gz	OMTWBCHTVCDBBP-KBPBESRZSA-N	2	0	280.500	4.100	10	0		CIAERP
CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1	ZINC000022154060	171361366	/nfs/dbraw/zinc/36/13/66/171361366.db2.gz	PNWZGOLVQVVDJV-MRXNPFEDSA-N	2	0	276.468	4.193	10	0		CIAERP
Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)c1	ZINC000038041758	174042945	/nfs/dbraw/zinc/04/29/45/174042945.db2.gz	CCUOQVAEAAUPLL-SJLPKXTDSA-N	2	0	288.479	4.076	10	0		CIAERP
C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1	ZINC000038041671	174043603	/nfs/dbraw/zinc/04/36/03/174043603.db2.gz	LWIIBANFUUDGCK-HUUCEWRRSA-N	2	0	294.870	4.113	10	0		CIAERP
CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccs1	ZINC000038042011	174044445	/nfs/dbraw/zinc/04/44/45/174044445.db2.gz	BBJOEMLYKXAKPE-DOTOQJQBSA-N	2	0	294.508	4.157	10	0		CIAERP
CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1ccccc1	ZINC000038042042	174044792	/nfs/dbraw/zinc/04/47/92/174044792.db2.gz	NLXKVUCVRCVTFM-MJGOQNOKSA-N	2	0	288.479	4.095	10	0		CIAERP
CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C	ZINC000379622544	330143234	/nfs/dbraw/zinc/14/32/34/330143234.db2.gz	GSLBUXZUJZXLAY-QRQLOZEOSA-N	2	0	288.479	4.064	10	0		CIAERP
C[C@H](C[NH2+][C@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1	ZINC000038041703	174043475	/nfs/dbraw/zinc/04/34/75/174043475.db2.gz	AANPSVZHQAVLNR-HUUCEWRRSA-N	2	0	294.870	4.113	10	0		CIAERP
C[C@H](c1ccc(Cl)cc1Cl)N1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749115	174393732	/nfs/dbraw/zinc/39/37/32/174393732.db2.gz	FOJWWJAXGQTGJL-NSNUZPRRSA-N	2	0	299.245	4.009	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+]CC1CCCCCC1	ZINC000089556949	333100223	/nfs/dbraw/zinc/10/02/23/333100223.db2.gz	FLTHYSVGNNTPPE-MRXNPFEDSA-N	2	0	268.489	4.057	10	0		CIAERP
C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1	ZINC000226332269	333257308	/nfs/dbraw/zinc/25/73/08/333257308.db2.gz	OHYFDRQNGHQOLK-YQQAZPJKSA-N	2	0	288.479	4.104	10	0		CIAERP
CCC[NH2+][C@H](CC[N@H+](C)CCC)c1ccc(Cl)cc1	ZINC000053978527	520068767	/nfs/dbraw/zinc/06/87/67/520068767.db2.gz	GXUAUDYPLYWVJY-MRXNPFEDSA-N	2	0	282.859	4.113	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@@H](C)CC[NH2+]C(C)(C)C	ZINC000052544884	520149809	/nfs/dbraw/zinc/14/98/09/520149809.db2.gz	STMJYFKTWGHFKU-HNNXBMFYSA-N	2	0	256.478	4.054	10	0		CIAERP
CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CC[NH2+]C)CC1	ZINC000070188765	517780643	/nfs/dbraw/zinc/78/06/43/517780643.db2.gz	CUXGBNMZZSVTJC-KRWDZBQOSA-N	2	0	294.870	4.113	10	0		CIAERP
CCCC[N@H+]([C@H](C)CC)[C@@H](C)CCC[NH2+]CC(C)C	ZINC000052372764	520552963	/nfs/dbraw/zinc/55/29/63/520552963.db2.gz	ZJZHKRIOEFEUTO-SJORKVTESA-N	2	0	270.505	4.301	10	0		CIAERP
CC(C)([NH3+])C(C)(C)CCCCCCCCCC[NH3+]	ZINC000098090998	185686620	/nfs/dbraw/zinc/68/66/20/185686620.db2.gz	CNJJMZGFMTWKAL-UHFFFAOYSA-N	2	0	256.478	4.220	10	0		CIAERP
Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000020546824	171244499	/nfs/dbraw/zinc/24/44/99/171244499.db2.gz	CLJKOKCRPLUOQO-ROUUACIJSA-N	2	0	288.479	4.219	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C	ZINC000020552085	171247466	/nfs/dbraw/zinc/24/74/66/171247466.db2.gz	GNMKPDFPGQETGH-ZWKOTPCHSA-N	2	0	290.495	4.465	10	0		CIAERP
CCC(CC)C[NH2+]Cc1ccc(C[NH+](CC)CC)cc1	ZINC000020564645	171253625	/nfs/dbraw/zinc/25/36/25/171253625.db2.gz	QGOVYTSHJBOWEM-UHFFFAOYSA-N	2	0	276.468	4.054	10	0		CIAERP
CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccc(Cl)c1	ZINC000021517841	171314238	/nfs/dbraw/zinc/31/42/38/171314238.db2.gz	GYBNMQCEVCTJGV-MRXNPFEDSA-N	2	0	282.859	4.113	10	0		CIAERP
CC1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000021520755	171316189	/nfs/dbraw/zinc/31/61/89/171316189.db2.gz	IYQYIECSWZHKAI-UHFFFAOYSA-N	2	0	292.511	4.344	10	0		CIAERP
C[C@@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)C1	ZINC000021794322	171324778	/nfs/dbraw/zinc/32/47/78/171324778.db2.gz	OMTWBCHTVCDBBP-ZIAGYGMSSA-N	2	0	280.500	4.100	10	0		CIAERP
CC(C)Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1	ZINC000021801203	171326185	/nfs/dbraw/zinc/32/61/85/171326185.db2.gz	VQXSUTVIYHXFFC-MRXNPFEDSA-N	2	0	290.495	4.124	10	0		CIAERP
CCCC1CCC([NH2+][C@@H](C)CCC[NH+](CC)CC)CC1	ZINC000022151073	171358673	/nfs/dbraw/zinc/35/86/73/171358673.db2.gz	GKRFTMMJAKWMHC-AOCRQIFASA-N	2	0	282.516	4.445	10	0		CIAERP
Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)c1	ZINC000038041761	174043119	/nfs/dbraw/zinc/04/31/19/174043119.db2.gz	CCUOQVAEAAUPLL-WMZOPIPTSA-N	2	0	288.479	4.076	10	0		CIAERP
Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1	ZINC000038041641	174043501	/nfs/dbraw/zinc/04/35/01/174043501.db2.gz	NHCOQTJZEHKOOF-FUHWJXTLSA-N	2	0	288.479	4.076	10	0		CIAERP
CC[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1	ZINC000080427763	334171324	/nfs/dbraw/zinc/17/13/24/334171324.db2.gz	NEXZIVPXDIVNMJ-VQIMIIECSA-N	2	0	288.479	4.197	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@H](C)CC[NH2+]C(C)(C)C	ZINC000052544885	520150082	/nfs/dbraw/zinc/15/00/82/520150082.db2.gz	STMJYFKTWGHFKU-OAHLLOKOSA-N	2	0	256.478	4.054	10	0		CIAERP
CCC[NH2+][C@@H](CCC)[C@H](CC)[NH+]1CCC(CC)CC1	ZINC000103986519	185876120	/nfs/dbraw/zinc/87/61/20/185876120.db2.gz	FGHBAEROQVKYJA-IRXDYDNUSA-N	2	0	268.489	4.055	10	0		CIAERP
CC1CC[NH+](CCC[NH2+]C2CCC(C(C)(C)C)CC2)CC1	ZINC000021010264	171286631	/nfs/dbraw/zinc/28/66/31/171286631.db2.gz	VQMAEYVDEYKCPQ-UHFFFAOYSA-N	2	0	294.527	4.303	10	0		CIAERP
Cc1cc(C)c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C)c1	ZINC000021791419	171324296	/nfs/dbraw/zinc/32/42/96/171324296.db2.gz	PCJYVTWGYHZWFF-UHFFFAOYSA-N	2	0	288.479	4.011	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000021792176	171324348	/nfs/dbraw/zinc/32/43/48/171324348.db2.gz	DUQBKNNJQBQMPI-BRWVUGGUSA-N	2	0	282.516	4.301	10	0		CIAERP
C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+](C)C)CC(C)(C)C1	ZINC000021804324	171326650	/nfs/dbraw/zinc/32/66/50/171326650.db2.gz	DDHGKGGVQKDTDE-QAPCUYQASA-N	2	0	288.479	4.053	10	0		CIAERP
C([NH2+]C1CCCCCC1)C1([NH+]2CCCCC2)CCCCC1	ZINC000021805788	171327457	/nfs/dbraw/zinc/32/74/57/171327457.db2.gz	CMLNUSSGHVVFLI-UHFFFAOYSA-N	2	0	292.511	4.488	10	0		CIAERP
C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC(C)(C)C1	ZINC000021816712	171332528	/nfs/dbraw/zinc/33/25/28/171332528.db2.gz	AWENVWRRPOYXEV-YESZJQIVSA-N	2	0	280.500	4.055	10	0		CIAERP
C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(Cl)c1	ZINC000021817127	171332851	/nfs/dbraw/zinc/33/28/51/171332851.db2.gz	GNSSJXRBUAWIPE-GJZGRUSLSA-N	2	0	294.870	4.255	10	0		CIAERP
Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1C	ZINC000038041859	174044143	/nfs/dbraw/zinc/04/41/43/174044143.db2.gz	VFMQQUFAAOPSEJ-QAPCUYQASA-N	2	0	288.479	4.076	10	0		CIAERP
Cc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)s1	ZINC000038041901	174044515	/nfs/dbraw/zinc/04/45/15/174044515.db2.gz	XLDKJKBNFISIDB-ZFWWWQNUSA-N	2	0	294.508	4.138	10	0		CIAERP
Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1C	ZINC000038041861	174044542	/nfs/dbraw/zinc/04/45/42/174044542.db2.gz	VFMQQUFAAOPSEJ-YJBOKZPZSA-N	2	0	288.479	4.076	10	0		CIAERP
C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2ccc(C(C)(C)C)cc2)CC1	ZINC000110644210	328308870	/nfs/dbraw/zinc/30/88/70/328308870.db2.gz	XXPUSGAUVGAICP-HUUCEWRRSA-N	2	0	288.479	4.104	10	0		CIAERP
CC[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1	ZINC000080428438	334171175	/nfs/dbraw/zinc/17/11/75/334171175.db2.gz	QFLFJSYJOXRNRF-LPHOPBHVSA-N	2	0	288.479	4.197	10	0		CIAERP
CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1	ZINC000080428434	334171242	/nfs/dbraw/zinc/17/12/42/334171242.db2.gz	QFLFJSYJOXRNRF-APWZRJJASA-N	2	0	288.479	4.197	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@@H](C)CCC[NH2+]CCC	ZINC000052544830	520149788	/nfs/dbraw/zinc/14/97/88/520149788.db2.gz	HDCPNGHDMIKKSM-INIZCTEOSA-N	2	0	256.478	4.055	10	0		CIAERP
CC(C)C[NH+](CCCCC[NH2+]C(C)(C)C)CC(C)C	ZINC000052485016	519715380	/nfs/dbraw/zinc/71/53/80/519715380.db2.gz	JYAAVLGGFNJINK-UHFFFAOYSA-N	2	0	270.505	4.159	10	0		CIAERP
CCCC[N@H+]([C@@H](C)CC)[C@@H](C)CCC[NH2+]CCC	ZINC000052372755	520552012	/nfs/dbraw/zinc/55/20/12/520552012.db2.gz	SPYBXSVLMYOFJE-HOTGVXAUSA-N	2	0	256.478	4.055	10	0		CIAERP
C[C@@H](CCC[NH2+]C(C)(C)C)[N@H+](C)C1CCCCCC1	ZINC000052482097	524456883	/nfs/dbraw/zinc/45/68/83/524456883.db2.gz	YAZCAGOTWHGLKT-HNNXBMFYSA-N	2	0	268.489	4.198	10	0		CIAERP
C[C@H](c1cccs1)[N@H+](C)CC(C)(C)C[NH2+]C(C)(C)C	ZINC000051251208	526152374	/nfs/dbraw/zinc/15/23/74/526152374.db2.gz	KDRMEMPFSKOGHB-CYBMUJFWSA-N	2	0	282.497	4.155	10	0		CIAERP
CCC[NH2+]C[C@@](C)(CC)C[NH+](CC(C)C)CC(C)C	ZINC000104015400	185882923	/nfs/dbraw/zinc/88/29/23/185882923.db2.gz	IPCHUBDSVVLOLS-QGZVFWFLSA-N	2	0	270.505	4.016	10	0		CIAERP
CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020545755	171243573	/nfs/dbraw/zinc/24/35/73/171243573.db2.gz	UIOAKPSAJGFQLE-HZPDHXFCSA-N	2	0	294.527	4.490	10	0		CIAERP
CCC[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1	ZINC000020564944	171253599	/nfs/dbraw/zinc/25/35/99/171253599.db2.gz	HKKFHUOCZSRTRQ-KRWDZBQOSA-N	2	0	288.479	4.427	10	0		CIAERP
CCC[NH+]1CCC([NH2+]C2CCC(C(C)(C)CC)CC2)CC1	ZINC000021050191	171294981	/nfs/dbraw/zinc/29/49/81/171294981.db2.gz	NSRFTMUIINTETM-UHFFFAOYSA-N	2	0	294.527	4.445	10	0		CIAERP
C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(Cl)c1	ZINC000038041702	174042955	/nfs/dbraw/zinc/04/29/55/174042955.db2.gz	AANPSVZHQAVLNR-LSDHHAIUSA-N	2	0	294.870	4.113	10	0		CIAERP
C[C@@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1	ZINC000038041700	174043435	/nfs/dbraw/zinc/04/34/35/174043435.db2.gz	AANPSVZHQAVLNR-GJZGRUSLSA-N	2	0	294.870	4.113	10	0		CIAERP
Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1	ZINC000038041642	174043685	/nfs/dbraw/zinc/04/36/85/174043685.db2.gz	NHCOQTJZEHKOOF-WMZOPIPTSA-N	2	0	288.479	4.076	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@@H](C)CCC[NH2+]CC(C)C	ZINC000052544838	520148821	/nfs/dbraw/zinc/14/88/21/520148821.db2.gz	XYVKZRINTHDXKX-KRWDZBQOSA-N	2	0	270.505	4.301	10	0		CIAERP
CCC[NH2+]C[C@](C)(CC)C[NH+](CC(C)C)CC(C)C	ZINC000104015406	185882601	/nfs/dbraw/zinc/88/26/01/185882601.db2.gz	IPCHUBDSVVLOLS-KRWDZBQOSA-N	2	0	270.505	4.016	10	0		CIAERP
CCC(C)(C)C1CCC([NH2+]CCC[NH+]2CCCC2)CC1	ZINC000019230655	170756293	/nfs/dbraw/zinc/75/62/93/170756293.db2.gz	QDOPIEKANYQGBR-UHFFFAOYSA-N	2	0	280.500	4.057	10	0		CIAERP
CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1	ZINC000020013290	170969143	/nfs/dbraw/zinc/96/91/43/170969143.db2.gz	FMTXEABURDFTCY-QFBILLFUSA-N	2	0	288.479	4.197	10	0		CIAERP
C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(C(C)(C)C)cc1	ZINC000020547123	171244327	/nfs/dbraw/zinc/24/43/27/171244327.db2.gz	NBKBEFBDGSMCRY-HNNXBMFYSA-N	2	0	290.495	4.223	10	0		CIAERP
CCCC1CCC([NH2+]Cc2ccccc2C[NH+](C)C)CC1	ZINC000020553902	171249110	/nfs/dbraw/zinc/24/91/10/171249110.db2.gz	UZOXHCKOGVYYPV-UHFFFAOYSA-N	2	0	288.479	4.197	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	ZINC000021792180	171324381	/nfs/dbraw/zinc/32/43/81/171324381.db2.gz	DUQBKNNJQBQMPI-IXDOHACOSA-N	2	0	282.516	4.301	10	0		CIAERP
C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1)C[NH+]1CCCCC1	ZINC000038041668	174042763	/nfs/dbraw/zinc/04/27/63/174042763.db2.gz	LWIIBANFUUDGCK-GJZGRUSLSA-N	2	0	294.870	4.113	10	0		CIAERP
Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)s1	ZINC000038041900	174043935	/nfs/dbraw/zinc/04/39/35/174043935.db2.gz	XLDKJKBNFISIDB-DZGCQCFKSA-N	2	0	294.508	4.138	10	0		CIAERP
CC(C)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccccc1	ZINC000038042045	174044006	/nfs/dbraw/zinc/04/40/06/174044006.db2.gz	NLXKVUCVRCVTFM-PKOBYXMFSA-N	2	0	288.479	4.095	10	0		CIAERP
CC(C)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCCC1)c1cccs1	ZINC000038042008	174044679	/nfs/dbraw/zinc/04/46/79/174044679.db2.gz	BBJOEMLYKXAKPE-WBVHZDCISA-N	2	0	294.508	4.157	10	0		CIAERP
C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C(C)(C)C)cc2)C1	ZINC000226332275	333257209	/nfs/dbraw/zinc/25/72/09/333257209.db2.gz	OHYFDRQNGHQOLK-ZOBUZTSGSA-N	2	0	288.479	4.104	10	0		CIAERP
C[N@H+](CC1CCC(C(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000135424264	334129436	/nfs/dbraw/zinc/12/94/36/334129436.db2.gz	OIOQKPHEKAYTKY-DDEIOVDASA-N	2	0	292.511	4.054	10	0		CIAERP
CCC[NH2+][C@H]1CCCCC[C@H]1C[NH+](CCC)CCC	ZINC000103997386	185878581	/nfs/dbraw/zinc/87/85/81/185878581.db2.gz	BDJQCCXMDJYAMJ-IRXDYDNUSA-N	2	0	268.489	4.057	10	0		CIAERP
CCCc1ccc([C@H](C)[NH2+]CCC[NH+](CC)CC)cc1	ZINC000020011241	170968826	/nfs/dbraw/zinc/96/88/26/170968826.db2.gz	WDMNNRATQJDNEN-INIZCTEOSA-N	2	0	276.468	4.022	10	0		CIAERP
CCCCCC[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C	ZINC000020520010	171234116	/nfs/dbraw/zinc/23/41/16/171234116.db2.gz	PACMNHCUTMLFCZ-IRXDYDNUSA-N	2	0	268.489	4.199	10	0		CIAERP
CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000020545756	171243765	/nfs/dbraw/zinc/24/37/65/171243765.db2.gz	UIOAKPSAJGFQLE-JKSUJKDBSA-N	2	0	294.527	4.490	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C	ZINC000020552082	171247531	/nfs/dbraw/zinc/24/75/31/171247531.db2.gz	GNMKPDFPGQETGH-MSOLQXFVSA-N	2	0	290.495	4.465	10	0		CIAERP
CCC[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1	ZINC000020564942	171253465	/nfs/dbraw/zinc/25/34/65/171253465.db2.gz	HKKFHUOCZSRTRQ-QGZVFWFLSA-N	2	0	288.479	4.427	10	0		CIAERP
C(C[NH+](C1CCCCC1)C1CCCCC1)C1CC[NH2+]CC1	ZINC000020593493	171262863	/nfs/dbraw/zinc/26/28/63/171262863.db2.gz	QOBRNYDNDAAGSF-UHFFFAOYSA-N	2	0	292.511	4.344	10	0		CIAERP
CC1CC[NH+](CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1	ZINC000021009196	171286037	/nfs/dbraw/zinc/28/60/37/171286037.db2.gz	VQRGUIWHBNXQIK-MSOLQXFVSA-N	2	0	294.527	4.303	10	0		CIAERP
C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC(C)(C)C1	ZINC000021816710	171332286	/nfs/dbraw/zinc/33/22/86/171332286.db2.gz	AWENVWRRPOYXEV-IXDOHACOSA-N	2	0	280.500	4.055	10	0		CIAERP
CCCC1CCC([NH2+][C@H](C)CCC[NH+](CC)CC)CC1	ZINC000022151076	171358627	/nfs/dbraw/zinc/35/86/27/171358627.db2.gz	GKRFTMMJAKWMHC-WWDZGPRUSA-N	2	0	282.516	4.445	10	0		CIAERP
C[C@H](C[NH2+][C@@H](C)c1cccc(Cl)c1)C[NH+]1CCCCC1	ZINC000038041701	174042723	/nfs/dbraw/zinc/04/27/23/174042723.db2.gz	AANPSVZHQAVLNR-CABCVRRESA-N	2	0	294.870	4.113	10	0		CIAERP
Cc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)s1	ZINC000038041899	174044732	/nfs/dbraw/zinc/04/47/32/174044732.db2.gz	XLDKJKBNFISIDB-HIFRSBDPSA-N	2	0	294.508	4.138	10	0		CIAERP
CC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1	ZINC000080427767	334171316	/nfs/dbraw/zinc/17/13/16/334171316.db2.gz	NEXZIVPXDIVNMJ-QFBILLFUSA-N	2	0	288.479	4.197	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@H](C)CCC[NH2+]CCC	ZINC000052544831	520149779	/nfs/dbraw/zinc/14/97/79/520149779.db2.gz	HDCPNGHDMIKKSM-MRXNPFEDSA-N	2	0	256.478	4.055	10	0		CIAERP
CCCCC[N@H+](C(C)C)[C@H](C)CCC[NH2+]CC(C)C	ZINC000052544839	520148614	/nfs/dbraw/zinc/14/86/14/520148614.db2.gz	XYVKZRINTHDXKX-QGZVFWFLSA-N	2	0	270.505	4.301	10	0		CIAERP
CCCCCC[NH2+]Cc1ccccc1C[NH+](CC)CC	ZINC000020361927	171160296	/nfs/dbraw/zinc/16/02/96/171160296.db2.gz	JJHLIQSNGWBLMG-UHFFFAOYSA-N	2	0	276.468	4.198	10	0		CIAERP
CCCC1CCC([NH2+]CCC[N@@H+]2CCCC[C@H]2C)CC1	ZINC000020547941	171245496	/nfs/dbraw/zinc/24/54/96/171245496.db2.gz	BYLFEQBXZCQSSE-WWDZGPRUSA-N	2	0	280.500	4.199	10	0		CIAERP
C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C(C)(C)C)CC1	ZINC000021788787	171323391	/nfs/dbraw/zinc/32/33/91/171323391.db2.gz	FQBASVWLQIULKE-AOCRQIFASA-N	2	0	294.527	4.445	10	0		CIAERP
CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1	ZINC000021791317	171324162	/nfs/dbraw/zinc/32/41/62/171324162.db2.gz	LFSDWXAGQYMVNF-KRWDZBQOSA-N	2	0	290.495	4.268	10	0		CIAERP
C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+](C)C)CC(C)(C)C1	ZINC000021804319	171326565	/nfs/dbraw/zinc/32/65/65/171326565.db2.gz	DDHGKGGVQKDTDE-CRAIPNDOSA-N	2	0	288.479	4.053	10	0		CIAERP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1	ZINC000034995289	171923843	/nfs/dbraw/zinc/92/38/43/171923843.db2.gz	BUNDYBGONOQURZ-OKYOBFRVSA-N	2	0	294.527	4.445	10	0		CIAERP
Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)c1	ZINC000038041759	174043037	/nfs/dbraw/zinc/04/30/37/174043037.db2.gz	CCUOQVAEAAUPLL-AEFFLSMTSA-N	2	0	288.479	4.076	10	0		CIAERP
C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(Cl)cc1	ZINC000038041670	174043679	/nfs/dbraw/zinc/04/36/79/174043679.db2.gz	LWIIBANFUUDGCK-LSDHHAIUSA-N	2	0	294.870	4.113	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1	ZINC000019914843	262206207	/nfs/dbraw/zinc/20/62/07/262206207.db2.gz	HODICMDWIYIYOL-UXLLHSPISA-N	2	0	292.467	4.003	10	0		CIAERP
C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1	ZINC000110644213	328308931	/nfs/dbraw/zinc/30/89/31/328308931.db2.gz	XXPUSGAUVGAICP-GJZGRUSLSA-N	2	0	288.479	4.104	10	0		CIAERP
CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+](CC)CC)cc2)C1	ZINC000080428443	334171284	/nfs/dbraw/zinc/17/12/84/334171284.db2.gz	QFLFJSYJOXRNRF-VQIMIIECSA-N	2	0	288.479	4.197	10	0		CIAERP
C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1	ZINC000251703518	334367753	/nfs/dbraw/zinc/36/77/53/334367753.db2.gz	OHYFDRQNGHQOLK-UXLLHSPISA-N	2	0	288.479	4.104	10	0		CIAERP
CCCC[NH+](CCCC)CCCCC[NH2+]CCC	ZINC000052443621	520493718	/nfs/dbraw/zinc/49/37/18/520493718.db2.gz	ZUYLWKALDNOOGH-UHFFFAOYSA-N	2	0	256.478	4.059	10	0		CIAERP
CC[N@H+](CCCCC[NH2+]C(C)(C)C)C1CCCCC1	ZINC000052420124	521002497	/nfs/dbraw/zinc/00/24/97/521002497.db2.gz	QAUUYTKXLNWSKG-UHFFFAOYSA-N	2	0	268.489	4.199	10	0		CIAERP
CCCC1CCC([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000020547940	171245530	/nfs/dbraw/zinc/24/55/30/171245530.db2.gz	BYLFEQBXZCQSSE-AOCRQIFASA-N	2	0	280.500	4.199	10	0		CIAERP
CC(C)(C)C1CCC([NH2+]CCC[NH+]2CCCCC2)CC1	ZINC000020549680	171246612	/nfs/dbraw/zinc/24/66/12/171246612.db2.gz	PWZXOSBAUKODEV-UHFFFAOYSA-N	2	0	280.500	4.057	10	0		CIAERP
C[N@H+](Cc1ccccc1)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000021043907	171293750	/nfs/dbraw/zinc/29/37/50/171293750.db2.gz	NUKVFKKTDORYKU-UHFFFAOYSA-N	2	0	288.479	4.052	10	0		CIAERP
C1=CC[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1	ZINC000021517109	171313173	/nfs/dbraw/zinc/31/31/73/171313173.db2.gz	IRZIHGWCKWDNJG-SFHVURJKSA-N	2	0	290.495	4.121	10	0		CIAERP
CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccc(Cl)c1	ZINC000021517842	171314113	/nfs/dbraw/zinc/31/41/13/171314113.db2.gz	GYBNMQCEVCTJGV-INIZCTEOSA-N	2	0	282.859	4.113	10	0		CIAERP
C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C(C)(C)C)CC1	ZINC000021788785	171323222	/nfs/dbraw/zinc/32/32/22/171323222.db2.gz	FQBASVWLQIULKE-WWDZGPRUSA-N	2	0	294.527	4.445	10	0		CIAERP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	ZINC000021792182	171324191	/nfs/dbraw/zinc/32/41/91/171324191.db2.gz	DUQBKNNJQBQMPI-ZACQAIPSSA-N	2	0	282.516	4.301	10	0		CIAERP
CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(CC(C)C)cc1	ZINC000021791321	171324326	/nfs/dbraw/zinc/32/43/26/171324326.db2.gz	LFSDWXAGQYMVNF-QGZVFWFLSA-N	2	0	290.495	4.268	10	0		CIAERP
CCCC[NH+](CCCC)[C@H]1C[C@H](CC)CC[C@@H]1C[NH3+]	ZINC000037158942	172994627	/nfs/dbraw/zinc/99/46/27/172994627.db2.gz	TYMAKHFHKVLSFU-ZACQAIPSSA-N	2	0	268.489	4.042	10	0		CIAERP
Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)c1	ZINC000038041760	174042907	/nfs/dbraw/zinc/04/29/07/174042907.db2.gz	CCUOQVAEAAUPLL-FUHWJXTLSA-N	2	0	288.479	4.076	10	0		CIAERP
Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1	ZINC000038041640	174043420	/nfs/dbraw/zinc/04/34/20/174043420.db2.gz	NHCOQTJZEHKOOF-AEFFLSMTSA-N	2	0	288.479	4.076	10	0		CIAERP
C[C@@H](c1ccc(Cl)cc1Cl)N1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749114	174393587	/nfs/dbraw/zinc/39/35/87/174393587.db2.gz	FOJWWJAXGQTGJL-SMHCIBLRSA-N	2	0	299.245	4.009	10	0		CIAERP
C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC([C@H](C)[NH3+])CC1	ZINC000110644215	328308763	/nfs/dbraw/zinc/30/87/63/328308763.db2.gz	XXPUSGAUVGAICP-LSDHHAIUSA-N	2	0	288.479	4.104	10	0		CIAERP
C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2ccc(C(C)(C)C)cc2)CC1	ZINC000110644207	328308893	/nfs/dbraw/zinc/30/88/93/328308893.db2.gz	XXPUSGAUVGAICP-CABCVRRESA-N	2	0	288.479	4.104	10	0		CIAERP
CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C(C)C	ZINC000379622547	330143409	/nfs/dbraw/zinc/14/34/09/330143409.db2.gz	GSLBUXZUJZXLAY-WDSOQIARSA-N	2	0	288.479	4.064	10	0		CIAERP
C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1	ZINC000251703522	334367634	/nfs/dbraw/zinc/36/76/34/334367634.db2.gz	OHYFDRQNGHQOLK-ZMSDIMECSA-N	2	0	288.479	4.104	10	0		CIAERP
CCCC[N@H+]([C@H](C)CC)[C@@H](C)CCC[NH2+]CCC	ZINC000052372756	520553019	/nfs/dbraw/zinc/55/30/19/520553019.db2.gz	SPYBXSVLMYOFJE-CVEARBPZSA-N	2	0	256.478	4.055	10	0		CIAERP
CC1CC[NH+](CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1	ZINC000021009195	171285999	/nfs/dbraw/zinc/28/59/99/171285999.db2.gz	VQRGUIWHBNXQIK-QZTJIDSGSA-N	2	0	294.527	4.303	10	0		CIAERP
C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(Cl)cc1	ZINC000021502899	171306209	/nfs/dbraw/zinc/30/62/09/171306209.db2.gz	JSWLYNYQCGOPBO-GJZGRUSLSA-N	2	0	294.870	4.255	10	0		CIAERP
C[C@@H]1C[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)C1	ZINC000021794329	171324659	/nfs/dbraw/zinc/32/46/59/171324659.db2.gz	OMTWBCHTVCDBBP-KGLIPLIRSA-N	2	0	280.500	4.100	10	0		CIAERP
C[C@H]1C[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)C1	ZINC000021794325	171324712	/nfs/dbraw/zinc/32/47/12/171324712.db2.gz	OMTWBCHTVCDBBP-UONOGXRCSA-N	2	0	280.500	4.100	10	0		CIAERP
CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C(C)C	ZINC000379622296	330143248	/nfs/dbraw/zinc/14/32/48/330143248.db2.gz	GSLBUXZUJZXLAY-NEWSRXKRSA-N	2	0	288.479	4.064	10	0		CIAERP
CC[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+](CC)CC)C1	ZINC000080427758	334171195	/nfs/dbraw/zinc/17/11/95/334171195.db2.gz	NEXZIVPXDIVNMJ-LPHOPBHVSA-N	2	0	288.479	4.197	10	0		CIAERP
CCC[NH2+][C@@H](CC[NH+](CC)CC)c1ccc(Cl)cc1	ZINC000053976384	519995837	/nfs/dbraw/zinc/99/58/37/519995837.db2.gz	FJZJFTJKQHWBQI-INIZCTEOSA-N	2	0	282.859	4.113	10	0		CIAERP