smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(O)c2)CC1	ZINC000161319922	402382744	/nfs/dbraw/zinc/38/27/44/402382744.db2.gz	FXNUTSOOEWIWNE-UHFFFAOYSA-N	2	1	314.433	2.500	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746868	279286588	/nfs/dbraw/zinc/28/65/88/279286588.db2.gz	ZZTUGEDKUHXUKT-IXDOHACOSA-N	2	1	324.513	2.090	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746868	279286589	/nfs/dbraw/zinc/28/65/89/279286589.db2.gz	ZZTUGEDKUHXUKT-IXDOHACOSA-N	2	1	324.513	2.090	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746868	279286591	/nfs/dbraw/zinc/28/65/91/279286591.db2.gz	ZZTUGEDKUHXUKT-IXDOHACOSA-N	2	1	324.513	2.090	20	70		DEIDMP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1	ZINC000161258297	525534397	/nfs/dbraw/zinc/53/43/97/525534397.db2.gz	QPDGESMXJSKEKC-CQSZACIVSA-N	2	1	315.417	2.422	20	70		DEIDMP
COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)C	ZINC000160486666	402347705	/nfs/dbraw/zinc/34/77/05/402347705.db2.gz	OPFXFUPQECQPJH-SFHVURJKSA-N	2	1	306.450	2.279	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000160178309	197391539	/nfs/dbraw/zinc/39/15/39/197391539.db2.gz	NUVYIHCEZLWFOH-JJRVBVJISA-N	2	1	303.450	2.255	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000160178309	197391540	/nfs/dbraw/zinc/39/15/40/197391540.db2.gz	NUVYIHCEZLWFOH-JJRVBVJISA-N	2	1	303.450	2.255	20	70		DEIDMP
C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCC1CC1)c1ccccc1	ZINC000159426601	402323368	/nfs/dbraw/zinc/32/33/68/402323368.db2.gz	ALSVJHNEWYTJNP-QGZVFWFLSA-N	2	1	303.450	2.137	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1	ZINC000160580559	402352542	/nfs/dbraw/zinc/35/25/42/402352542.db2.gz	FAKYATNPNOMUJP-YJBOKZPZSA-N	2	1	304.434	2.033	20	70		DEIDMP
CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000160596472	402353479	/nfs/dbraw/zinc/35/34/79/402353479.db2.gz	CUQXARPXQRIETB-YOEHRIQHSA-N	2	1	303.450	2.256	20	70		DEIDMP
CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000160596472	402353481	/nfs/dbraw/zinc/35/34/81/402353481.db2.gz	CUQXARPXQRIETB-YOEHRIQHSA-N	2	1	303.450	2.256	20	70		DEIDMP
C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1	ZINC000159807831	402330895	/nfs/dbraw/zinc/33/08/95/402330895.db2.gz	JSRJNHYNNBIDJU-MDZRGWNJSA-N	2	1	301.478	2.363	20	70		DEIDMP
COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C	ZINC000160619545	402354223	/nfs/dbraw/zinc/35/42/23/402354223.db2.gz	JEUNRHTVWXKTHP-GOSISDBHSA-N	2	1	306.450	2.279	20	70		DEIDMP
C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000160994544	402368854	/nfs/dbraw/zinc/36/88/54/402368854.db2.gz	ZHYRTRBKXARGRP-MRXNPFEDSA-N	2	1	317.481	2.280	20	70		DEIDMP
C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1	ZINC000160994544	402368857	/nfs/dbraw/zinc/36/88/57/402368857.db2.gz	ZHYRTRBKXARGRP-MRXNPFEDSA-N	2	1	317.481	2.280	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159626588	402326943	/nfs/dbraw/zinc/32/69/43/402326943.db2.gz	NHQQLOZUXCCABH-CALCHBBNSA-N	2	1	324.513	2.092	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159626588	402326944	/nfs/dbraw/zinc/32/69/44/402326944.db2.gz	NHQQLOZUXCCABH-CALCHBBNSA-N	2	1	324.513	2.092	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159626588	402326945	/nfs/dbraw/zinc/32/69/45/402326945.db2.gz	NHQQLOZUXCCABH-CALCHBBNSA-N	2	1	324.513	2.092	20	70		DEIDMP
C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C	ZINC000160194821	402337393	/nfs/dbraw/zinc/33/73/93/402337393.db2.gz	GNMVTEGLMSSITK-RYRKJORJSA-N	2	1	317.477	2.383	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000159518894	521608449	/nfs/dbraw/zinc/60/84/49/521608449.db2.gz	VSDJSXNWDKJXSR-QGZVFWFLSA-N	2	1	318.465	2.027	20	70		DEIDMP
CCCC(=O)NC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160827256	402361961	/nfs/dbraw/zinc/36/19/61/402361961.db2.gz	ZIGCGSZJCMSJAD-QGZVFWFLSA-N	2	1	309.498	2.491	20	70		DEIDMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000160911746	402365251	/nfs/dbraw/zinc/36/52/51/402365251.db2.gz	SREFJOVVHIUZKT-IXDOHACOSA-N	2	1	324.513	2.279	20	70		DEIDMP
CC[C@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000161449825	402388341	/nfs/dbraw/zinc/38/83/41/402388341.db2.gz	AOUHDEPWAWATNL-JZXOWHBKSA-N	2	1	312.498	2.359	20	70		DEIDMP
Cc1ccc(C(=O)CC[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1	ZINC000161195036	402377193	/nfs/dbraw/zinc/37/71/93/402377193.db2.gz	YQUWPCBDVGNHQZ-UHFFFAOYSA-N	2	1	317.477	2.137	20	70		DEIDMP
CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCOC1	ZINC000160486954	522882733	/nfs/dbraw/zinc/88/27/33/522882733.db2.gz	OXUJYXDAYRIJPW-RTBURBONSA-N	2	1	318.461	2.424	20	70		DEIDMP
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1	ZINC000217037292	402290698	/nfs/dbraw/zinc/29/06/98/402290698.db2.gz	ODULNNCTYRTPKE-NVXWUHKLSA-N	2	1	324.513	2.423	20	70		DEIDMP
CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000217037292	402290700	/nfs/dbraw/zinc/29/07/00/402290700.db2.gz	ODULNNCTYRTPKE-NVXWUHKLSA-N	2	1	324.513	2.423	20	70		DEIDMP
CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000217037292	402290703	/nfs/dbraw/zinc/29/07/03/402290703.db2.gz	ODULNNCTYRTPKE-NVXWUHKLSA-N	2	1	324.513	2.423	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCOC1	ZINC000160436052	402345321	/nfs/dbraw/zinc/34/53/21/402345321.db2.gz	POQXHSCCTREMGC-MAUKXSAKSA-N	2	1	304.434	2.033	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1	ZINC000160580318	402352727	/nfs/dbraw/zinc/35/27/27/402352727.db2.gz	FAKYATNPNOMUJP-MAUKXSAKSA-N	2	1	304.434	2.033	20	70		DEIDMP
C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159671589	402328309	/nfs/dbraw/zinc/32/83/09/402328309.db2.gz	DOEXWYHLXCTIGG-INIZCTEOSA-N	2	1	309.498	2.155	20	70		DEIDMP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]cc1C(N)=O	ZINC000160218357	402338572	/nfs/dbraw/zinc/33/85/72/402338572.db2.gz	FMYOOLAOJVBXSI-GUYCJALGSA-N	2	1	310.401	2.113	20	70		DEIDMP
C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]cc1C(N)=O	ZINC000160218357	402338575	/nfs/dbraw/zinc/33/85/75/402338575.db2.gz	FMYOOLAOJVBXSI-GUYCJALGSA-N	2	1	310.401	2.113	20	70		DEIDMP
C[C@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C	ZINC000160660051	291147780	/nfs/dbraw/zinc/14/77/80/291147780.db2.gz	XPGAHWZLCJSHRI-JQHSSLGASA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1C	ZINC000160660051	291147781	/nfs/dbraw/zinc/14/77/81/291147781.db2.gz	XPGAHWZLCJSHRI-JQHSSLGASA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C1	ZINC000160275671	402339831	/nfs/dbraw/zinc/33/98/31/402339831.db2.gz	XHJWZLJSJIXAQD-INIZCTEOSA-N	2	1	324.513	2.234	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1	ZINC000160636606	402354747	/nfs/dbraw/zinc/35/47/47/402354747.db2.gz	VLTDMHWZOMBGIT-MRXNPFEDSA-N	2	1	318.461	2.424	20	70		DEIDMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000160911896	402365326	/nfs/dbraw/zinc/36/53/26/402365326.db2.gz	SREFJOVVHIUZKT-YESZJQIVSA-N	2	1	324.513	2.279	20	70		DEIDMP
C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C)CC1	ZINC000161414247	402386463	/nfs/dbraw/zinc/38/64/63/402386463.db2.gz	SIOPBOOXPLQSDK-LLVKDONJSA-N	2	1	310.829	2.136	20	70		DEIDMP
C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1C	ZINC000160194960	402337469	/nfs/dbraw/zinc/33/74/69/402337469.db2.gz	GNMVTEGLMSSITK-BQFCYCMXSA-N	2	1	317.477	2.383	20	70		DEIDMP
CSC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000160219290	402338898	/nfs/dbraw/zinc/33/88/98/402338898.db2.gz	ZGMFDVPQFXOKGG-SFHVURJKSA-N	2	1	322.518	2.397	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1	ZINC000160580425	402352793	/nfs/dbraw/zinc/35/27/93/402352793.db2.gz	FAKYATNPNOMUJP-CRAIPNDOSA-N	2	1	304.434	2.033	20	70		DEIDMP
CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000159808020	402331112	/nfs/dbraw/zinc/33/11/12/402331112.db2.gz	QHWHCOSUUMQSPS-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1	ZINC000160487098	522654653	/nfs/dbraw/zinc/65/46/53/522654653.db2.gz	OXUJYXDAYRIJPW-OALUTQOASA-N	2	1	318.461	2.424	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000159518730	197359562	/nfs/dbraw/zinc/35/95/62/197359562.db2.gz	VSDJSXNWDKJXSR-KRWDZBQOSA-N	2	1	318.465	2.027	20	70		DEIDMP
CC[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000161449950	402388384	/nfs/dbraw/zinc/38/83/84/402388384.db2.gz	AOUHDEPWAWATNL-SOLBZPMBSA-N	2	1	312.498	2.359	20	70		DEIDMP
CCC[C@@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[NH+](C)C	ZINC000161243792	402378750	/nfs/dbraw/zinc/37/87/50/402378750.db2.gz	NIBCFJASEVKGEU-HOTGVXAUSA-N	2	1	321.465	2.144	20	70		DEIDMP
C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1	ZINC000159807953	402330839	/nfs/dbraw/zinc/33/08/39/402330839.db2.gz	JSRJNHYNNBIDJU-FCEWJHQRSA-N	2	1	301.478	2.363	20	70		DEIDMP
C[C@@H]1C[N@H+](CC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1	ZINC000160289490	402339909	/nfs/dbraw/zinc/33/99/09/402339909.db2.gz	XVQZIQJGHNQEGO-IYBDPMFKSA-N	2	1	310.482	2.234	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCOCC1	ZINC000160636521	402354874	/nfs/dbraw/zinc/35/48/74/402354874.db2.gz	VLTDMHWZOMBGIT-INIZCTEOSA-N	2	1	318.461	2.424	20	70		DEIDMP
CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000161068328	402371576	/nfs/dbraw/zinc/37/15/76/402371576.db2.gz	GDTKFPJDAZVPLM-KRWDZBQOSA-N	2	1	303.450	2.137	20	70		DEIDMP
CC[N@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H](C)C1	ZINC000161147646	402375197	/nfs/dbraw/zinc/37/51/97/402375197.db2.gz	YZFJSJNPOPKNDC-HZPDHXFCSA-N	2	1	319.497	2.257	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000160178462	197391692	/nfs/dbraw/zinc/39/16/92/197391692.db2.gz	NUVYIHCEZLWFOH-VBQJREDUSA-N	2	1	303.450	2.255	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000160178462	197391693	/nfs/dbraw/zinc/39/16/93/197391693.db2.gz	NUVYIHCEZLWFOH-VBQJREDUSA-N	2	1	303.450	2.255	20	70		DEIDMP
C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C1CC[NH+](C)CC1	ZINC000161414105	274206824	/nfs/dbraw/zinc/20/68/24/274206824.db2.gz	SIOPBOOXPLQSDK-NSHDSACASA-N	2	1	310.829	2.136	20	70		DEIDMP
CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CCOC)CC1	ZINC000160361585	402342905	/nfs/dbraw/zinc/34/29/05/402342905.db2.gz	OLWGPAQCIGAGKP-QGZVFWFLSA-N	2	1	319.493	2.339	20	70		DEIDMP
CCC[C@H](C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C)[NH+](C)C	ZINC000161243942	291673320	/nfs/dbraw/zinc/67/33/20/291673320.db2.gz	NIBCFJASEVKGEU-CVEARBPZSA-N	2	1	321.465	2.144	20	70		DEIDMP
C[C@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1C	ZINC000161134359	402374614	/nfs/dbraw/zinc/37/46/14/402374614.db2.gz	RBIKPGZQYBWKDB-GJZGRUSLSA-N	2	1	305.470	2.009	20	70		DEIDMP
C[NH+]1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1	ZINC000161416141	402386190	/nfs/dbraw/zinc/38/61/90/402386190.db2.gz	DAXOWXINKXJTOW-UHFFFAOYSA-N	2	1	305.441	2.474	20	70		DEIDMP
C[NH+](C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159671459	402328630	/nfs/dbraw/zinc/32/86/30/402328630.db2.gz	DOEXWYHLXCTIGG-MRXNPFEDSA-N	2	1	309.498	2.155	20	70		DEIDMP
CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160913421	402365215	/nfs/dbraw/zinc/36/52/15/402365215.db2.gz	UILFQGDWCKARAP-INIZCTEOSA-N	2	1	322.497	2.175	20	70		DEIDMP
CC[N@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H](C)C1	ZINC000161147542	402375494	/nfs/dbraw/zinc/37/54/94/402375494.db2.gz	YZFJSJNPOPKNDC-CVEARBPZSA-N	2	1	319.497	2.257	20	70		DEIDMP
Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(C)C)cc1	ZINC000160956384	527378979	/nfs/dbraw/zinc/37/89/79/527378979.db2.gz	MLWVACJBQDVFAQ-CYBMUJFWSA-N	2	1	300.406	2.356	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCOC1	ZINC000160436154	402345230	/nfs/dbraw/zinc/34/52/30/402345230.db2.gz	POQXHSCCTREMGC-CRAIPNDOSA-N	2	1	304.434	2.033	20	70		DEIDMP
Cn1cc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1	ZINC000159760957	402330245	/nfs/dbraw/zinc/33/02/45/402330245.db2.gz	YCIVGCKPHGBTPY-UHFFFAOYSA-N	2	1	312.461	2.259	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1	ZINC000159886793	276366840	/nfs/dbraw/zinc/36/68/40/276366840.db2.gz	ITMJXMZWJVZQLY-UHFFFAOYSA-N	2	1	324.513	2.380	20	70		DEIDMP
COc1cc[nH+]c(N2CCN(CCC[NH+]3CCCCC3)CC2)c1	ZINC000160922927	524842667	/nfs/dbraw/zinc/84/26/67/524842667.db2.gz	GRRBYQSDLCRRTI-UHFFFAOYSA-N	2	1	318.465	2.088	20	70		DEIDMP
C[C@@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1C	ZINC000161134233	402374771	/nfs/dbraw/zinc/37/47/71/402374771.db2.gz	RBIKPGZQYBWKDB-CABCVRRESA-N	2	1	305.470	2.009	20	70		DEIDMP
C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CCOc2ccccc2)CC1	ZINC000161295340	523823580	/nfs/dbraw/zinc/82/35/80/523823580.db2.gz	IKISYCQCIMXILT-GOSISDBHSA-N	2	1	317.477	2.167	20	70		DEIDMP
C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CCOc2ccccc2)CC1	ZINC000161295340	523823588	/nfs/dbraw/zinc/82/35/88/523823588.db2.gz	IKISYCQCIMXILT-GOSISDBHSA-N	2	1	317.477	2.167	20	70		DEIDMP
CSC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1	ZINC000160219154	402338904	/nfs/dbraw/zinc/33/89/04/402338904.db2.gz	ZGMFDVPQFXOKGG-GOSISDBHSA-N	2	1	322.518	2.397	20	70		DEIDMP
CC(C)n1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cn1	ZINC000160747433	278128735	/nfs/dbraw/zinc/12/87/35/278128735.db2.gz	BUXJOOJGRANEMX-DOTOQJQBSA-N	2	1	308.470	2.352	20	70		DEIDMP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000160850498	402363128	/nfs/dbraw/zinc/36/31/28/402363128.db2.gz	SWXDEDNTWVHOCT-INIZCTEOSA-N	2	1	324.513	2.233	20	70		DEIDMP
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000160942605	402366325	/nfs/dbraw/zinc/36/63/25/402366325.db2.gz	UJAGEGDKVPOHFU-SJORKVTESA-N	2	1	324.513	2.233	20	70		DEIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153274	402375521	/nfs/dbraw/zinc/37/55/21/402375521.db2.gz	ZAYVJYICNQBGAG-BZUAXINKSA-N	2	1	319.497	2.255	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000159728132	285210737	/nfs/dbraw/zinc/21/07/37/285210737.db2.gz	QASGRPZYZRXJKW-WMZOPIPTSA-N	2	1	324.513	2.234	20	70		DEIDMP
COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C	ZINC000160619650	402354437	/nfs/dbraw/zinc/35/44/37/402354437.db2.gz	JEUNRHTVWXKTHP-SFHVURJKSA-N	2	1	306.450	2.279	20	70		DEIDMP
COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1	ZINC000160637797	402354683	/nfs/dbraw/zinc/35/46/83/402354683.db2.gz	GJMIWGQJPHHFNX-SFHVURJKSA-N	2	1	304.434	2.033	20	70		DEIDMP
CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCCC1	ZINC000161001359	402368818	/nfs/dbraw/zinc/36/88/18/402368818.db2.gz	LAUCBUJKKUOCGW-QGZVFWFLSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000159623317	402326936	/nfs/dbraw/zinc/32/69/36/402326936.db2.gz	NWXGXSGCUHRNCG-KRWDZBQOSA-N	2	1	324.513	2.234	20	70		DEIDMP
COCCN(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000159368727	523607767	/nfs/dbraw/zinc/60/77/67/523607767.db2.gz	NWIMZGXZYPUNOZ-HNNXBMFYSA-N	2	1	316.449	2.410	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1	ZINC000159509152	285209367	/nfs/dbraw/zinc/20/93/67/285209367.db2.gz	UILQEDMZCLMGNQ-UHFFFAOYSA-N	2	1	310.486	2.033	20	70		DEIDMP
C[N@@H+](CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@@H]1CCSC1	ZINC000159654929	402327448	/nfs/dbraw/zinc/32/74/48/402327448.db2.gz	PXMGQTPPJFKQGZ-OAHLLOKOSA-N	2	1	316.430	2.248	20	70		DEIDMP
CN(CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@@H]1CCSC1	ZINC000159654929	402327449	/nfs/dbraw/zinc/32/74/49/402327449.db2.gz	PXMGQTPPJFKQGZ-OAHLLOKOSA-N	2	1	316.430	2.248	20	70		DEIDMP
c1cncc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1	ZINC000161459559	526545577	/nfs/dbraw/zinc/54/55/77/526545577.db2.gz	ZHMCSFNABSLVIO-UHFFFAOYSA-N	2	1	302.466	2.075	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)CC1	ZINC000160917607	402365511	/nfs/dbraw/zinc/36/55/11/402365511.db2.gz	PQQFGSMWCKPCBG-QGZVFWFLSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1	ZINC000160917607	402365513	/nfs/dbraw/zinc/36/55/13/402365513.db2.gz	PQQFGSMWCKPCBG-QGZVFWFLSA-N	2	1	324.513	2.234	20	70		DEIDMP
CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC)CC1	ZINC000159836838	402331799	/nfs/dbraw/zinc/33/17/99/402331799.db2.gz	QBAXDUSEKOJVPL-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC)CC1	ZINC000159836838	402331800	/nfs/dbraw/zinc/33/18/00/402331800.db2.gz	QBAXDUSEKOJVPL-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC)CC1	ZINC000159836838	402331802	/nfs/dbraw/zinc/33/18/02/402331802.db2.gz	QBAXDUSEKOJVPL-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000159871806	402332117	/nfs/dbraw/zinc/33/21/17/402332117.db2.gz	SBSSCAPAHZNOQK-OAHLLOKOSA-N	2	1	312.502	2.090	20	70		DEIDMP
C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCC1CC1)c1ccccc1	ZINC000159426493	402323175	/nfs/dbraw/zinc/32/31/75/402323175.db2.gz	ALSVJHNEWYTJNP-KRWDZBQOSA-N	2	1	303.450	2.137	20	70		DEIDMP
CC[C@@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(N)=O	ZINC000161188784	402376717	/nfs/dbraw/zinc/37/67/17/402376717.db2.gz	WXYKGBKBMGMWCX-QGZVFWFLSA-N	2	1	318.465	2.140	20	70		DEIDMP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000160850423	402363015	/nfs/dbraw/zinc/36/30/15/402363015.db2.gz	SWXDEDNTWVHOCT-MRXNPFEDSA-N	2	1	324.513	2.233	20	70		DEIDMP
C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C	ZINC000160660185	402356043	/nfs/dbraw/zinc/35/60/43/402356043.db2.gz	XPGAHWZLCJSHRI-NJAFHUGGSA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1C	ZINC000160660185	402356046	/nfs/dbraw/zinc/35/60/46/402356046.db2.gz	XPGAHWZLCJSHRI-NJAFHUGGSA-N	2	1	315.461	2.422	20	70		DEIDMP
CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1	ZINC000160913292	402365478	/nfs/dbraw/zinc/36/54/78/402365478.db2.gz	UILFQGDWCKARAP-MRXNPFEDSA-N	2	1	322.497	2.175	20	70		DEIDMP
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1	ZINC000161290813	402381039	/nfs/dbraw/zinc/38/10/39/402381039.db2.gz	PQKXTIZPVAITPX-AWEZNQCLSA-N	2	1	306.454	2.374	20	70		DEIDMP
C[N@@H+](CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@H]1CCSC1	ZINC000159655084	402327585	/nfs/dbraw/zinc/32/75/85/402327585.db2.gz	PXMGQTPPJFKQGZ-HNNXBMFYSA-N	2	1	316.430	2.248	20	70		DEIDMP
CN(CC(=O)Nc1ccc(-n2ccnc2)cc1)[C@H]1CCSC1	ZINC000159655084	402327588	/nfs/dbraw/zinc/32/75/88/402327588.db2.gz	PXMGQTPPJFKQGZ-HNNXBMFYSA-N	2	1	316.430	2.248	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000160178190	197391481	/nfs/dbraw/zinc/39/14/81/197391481.db2.gz	NUVYIHCEZLWFOH-ZQIUZPCESA-N	2	1	303.450	2.255	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000160178190	197391483	/nfs/dbraw/zinc/39/14/83/197391483.db2.gz	NUVYIHCEZLWFOH-ZQIUZPCESA-N	2	1	303.450	2.255	20	70		DEIDMP
CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cn1	ZINC000160747321	402358984	/nfs/dbraw/zinc/35/89/84/402358984.db2.gz	BUXJOOJGRANEMX-NVXWUHKLSA-N	2	1	308.470	2.352	20	70		DEIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153394	402375441	/nfs/dbraw/zinc/37/54/41/402375441.db2.gz	ZAYVJYICNQBGAG-OWCLPIDISA-N	2	1	319.497	2.255	20	70		DEIDMP
CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(CC)(CC)C[NH3+])C1	ZINC000161290668	402380702	/nfs/dbraw/zinc/38/07/02/402380702.db2.gz	PQKXTIZPVAITPX-CQSZACIVSA-N	2	1	306.454	2.374	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)CC1	ZINC000160917473	285210765	/nfs/dbraw/zinc/21/07/65/285210765.db2.gz	PQQFGSMWCKPCBG-KRWDZBQOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1	ZINC000160917473	285210766	/nfs/dbraw/zinc/21/07/66/285210766.db2.gz	PQQFGSMWCKPCBG-KRWDZBQOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1	ZINC000160917473	285210767	/nfs/dbraw/zinc/21/07/67/285210767.db2.gz	PQQFGSMWCKPCBG-KRWDZBQOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000159808161	402331205	/nfs/dbraw/zinc/33/12/05/402331205.db2.gz	QHWHCOSUUMQSPS-QGZVFWFLSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCOC1	ZINC000160486824	522655434	/nfs/dbraw/zinc/65/54/34/522655434.db2.gz	OXUJYXDAYRIJPW-MOPGFXCFSA-N	2	1	318.461	2.424	20	70		DEIDMP
CC(=O)NC1CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000161357323	277025203	/nfs/dbraw/zinc/02/52/03/277025203.db2.gz	QAJAUBVKNMDGJE-MASVMSMMSA-N	2	1	309.498	2.390	20	70		DEIDMP
CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+](C)C	ZINC000159693910	519809435	/nfs/dbraw/zinc/80/94/35/519809435.db2.gz	MZGWHNMIMHRBFM-QGZVFWFLSA-N	2	1	305.466	2.211	20	70		DEIDMP
CC[C@H](Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1)C(N)=O	ZINC000161188675	402376712	/nfs/dbraw/zinc/37/67/12/402376712.db2.gz	WXYKGBKBMGMWCX-KRWDZBQOSA-N	2	1	318.465	2.140	20	70		DEIDMP
CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000160329613	522595437	/nfs/dbraw/zinc/59/54/37/522595437.db2.gz	QUCZKKJQAYTBSG-IBGZPJMESA-N	2	1	319.493	2.339	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCOCC1	ZINC000160505639	525539140	/nfs/dbraw/zinc/53/91/40/525539140.db2.gz	WCMMIJDUQQYCEX-MRXNPFEDSA-N	2	1	318.461	2.424	20	70		DEIDMP
CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1	ZINC000160827117	402361817	/nfs/dbraw/zinc/36/18/17/402361817.db2.gz	ZIGCGSZJCMSJAD-KRWDZBQOSA-N	2	1	309.498	2.491	20	70		DEIDMP
C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1	ZINC000159802610	522004773	/nfs/dbraw/zinc/00/47/73/522004773.db2.gz	OKODVDNSSNZNNM-GOSISDBHSA-N	2	1	315.461	2.280	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1	ZINC000159638041	402327470	/nfs/dbraw/zinc/32/74/70/402327470.db2.gz	IWZFQGUREDSHLH-UHFFFAOYSA-N	2	1	324.513	2.236	20	70		DEIDMP
CCC[C@@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[NH+](C)C	ZINC000161244057	291673341	/nfs/dbraw/zinc/67/33/41/291673341.db2.gz	NIBCFJASEVKGEU-JKSUJKDBSA-N	2	1	321.465	2.144	20	70		DEIDMP
CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[NH+](C)C1CC1	ZINC000217037332	402290635	/nfs/dbraw/zinc/29/06/35/402290635.db2.gz	ODULNNCTYRTPKE-WBVHZDCISA-N	2	1	324.513	2.423	20	70		DEIDMP
CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1	ZINC000217037332	402290636	/nfs/dbraw/zinc/29/06/36/402290636.db2.gz	ODULNNCTYRTPKE-WBVHZDCISA-N	2	1	324.513	2.423	20	70		DEIDMP
CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)[N@@H+](C)C1CC1	ZINC000217037332	402290639	/nfs/dbraw/zinc/29/06/39/402290639.db2.gz	ODULNNCTYRTPKE-WBVHZDCISA-N	2	1	324.513	2.423	20	70		DEIDMP
CCOC(=O)N(C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000160847720	402362724	/nfs/dbraw/zinc/36/27/24/402362724.db2.gz	RJLYUQJPJYEWOJ-UHFFFAOYSA-N	2	1	311.470	2.415	20	70		DEIDMP
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000160942740	402366665	/nfs/dbraw/zinc/36/66/65/402366665.db2.gz	UJAGEGDKVPOHFU-IRXDYDNUSA-N	2	1	324.513	2.233	20	70		DEIDMP
C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000160994408	402368993	/nfs/dbraw/zinc/36/89/93/402368993.db2.gz	ZHYRTRBKXARGRP-INIZCTEOSA-N	2	1	317.481	2.280	20	70		DEIDMP
C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1	ZINC000160994408	402368994	/nfs/dbraw/zinc/36/89/94/402368994.db2.gz	ZHYRTRBKXARGRP-INIZCTEOSA-N	2	1	317.481	2.280	20	70		DEIDMP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccco1	ZINC000161258180	525452954	/nfs/dbraw/zinc/45/29/54/525452954.db2.gz	QPDGESMXJSKEKC-AWEZNQCLSA-N	2	1	315.417	2.422	20	70		DEIDMP
CC[C@@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000160362121	402342815	/nfs/dbraw/zinc/34/28/15/402342815.db2.gz	ISIGEUCFPUKIKO-IBGZPJMESA-N	2	1	319.493	2.339	20	70		DEIDMP
Fc1ccccc1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1	ZINC000161307516	539590169	/nfs/dbraw/zinc/59/01/69/539590169.db2.gz	ZSMVSCPTOHRHHF-UHFFFAOYSA-N	2	1	301.365	2.422	20	70		DEIDMP
CC(C)N(C)C(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000160585584	402352482	/nfs/dbraw/zinc/35/24/82/402352482.db2.gz	KPXIGKMKFOYVTB-UHFFFAOYSA-N	2	1	309.498	2.441	20	70		DEIDMP
COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1	ZINC000160637908	402355017	/nfs/dbraw/zinc/35/50/17/402355017.db2.gz	GJMIWGQJPHHFNX-GOSISDBHSA-N	2	1	304.434	2.033	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000159623469	402326995	/nfs/dbraw/zinc/32/69/95/402326995.db2.gz	NWXGXSGCUHRNCG-QGZVFWFLSA-N	2	1	324.513	2.234	20	70		DEIDMP
C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1	ZINC000161451701	402388303	/nfs/dbraw/zinc/38/83/03/402388303.db2.gz	LWSNPQAPWLDGFQ-HNNXBMFYSA-N	3	1	305.466	2.372	20	70		DEIDMP
CC(C)[N@@H+]1C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1	ZINC000161392814	402385885	/nfs/dbraw/zinc/38/58/85/402385885.db2.gz	DZXSNTNWTKDBQY-YOEHRIQHSA-N	2	1	312.417	2.331	20	70		DEIDMP
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153035	402375332	/nfs/dbraw/zinc/37/53/32/402375332.db2.gz	ZAYVJYICNQBGAG-OAGGEKHMSA-N	2	1	319.497	2.255	20	70		DEIDMP
CCC[C@H](C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C)[NH+](C)C	ZINC000161244162	291673325	/nfs/dbraw/zinc/67/33/25/291673325.db2.gz	NIBCFJASEVKGEU-HZPDHXFCSA-N	2	1	321.465	2.144	20	70		DEIDMP
O=C(C1CC[NH+](CCC[NH+]2CCCCC2)CC1)N1CCCC1	ZINC000160354569	402342196	/nfs/dbraw/zinc/34/21/96/402342196.db2.gz	UFWVHAJVCIWZAF-UHFFFAOYSA-N	2	1	307.482	2.197	20	70		DEIDMP
C[C@@H]1CCC[N@@H+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C1	ZINC000160275523	402339750	/nfs/dbraw/zinc/33/97/50/402339750.db2.gz	XHJWZLJSJIXAQD-MRXNPFEDSA-N	2	1	324.513	2.234	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000160178047	197391594	/nfs/dbraw/zinc/39/15/94/197391594.db2.gz	NUVYIHCEZLWFOH-GRDNDAEWSA-N	2	1	303.450	2.255	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1	ZINC000160178047	197391595	/nfs/dbraw/zinc/39/15/95/197391595.db2.gz	NUVYIHCEZLWFOH-GRDNDAEWSA-N	2	1	303.450	2.255	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1	ZINC000160436261	402345339	/nfs/dbraw/zinc/34/53/39/402345339.db2.gz	POQXHSCCTREMGC-YJBOKZPZSA-N	2	1	304.434	2.033	20	70		DEIDMP
COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1	ZINC000160506834	402348615	/nfs/dbraw/zinc/34/86/15/402348615.db2.gz	VQVOQWSKIGGAOT-SFHVURJKSA-N	2	1	304.434	2.033	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1	ZINC000159638801	402327683	/nfs/dbraw/zinc/32/76/83/402327683.db2.gz	GQECAVPJCQALON-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1	ZINC000159638801	402327686	/nfs/dbraw/zinc/32/76/86/402327686.db2.gz	GQECAVPJCQALON-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1	ZINC000159638801	402327688	/nfs/dbraw/zinc/32/76/88/402327688.db2.gz	GQECAVPJCQALON-KRWDZBQOSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746719	402329408	/nfs/dbraw/zinc/32/94/08/402329408.db2.gz	ZZTUGEDKUHXUKT-BBWFWOEESA-N	2	1	324.513	2.090	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746719	402329410	/nfs/dbraw/zinc/32/94/10/402329410.db2.gz	ZZTUGEDKUHXUKT-BBWFWOEESA-N	2	1	324.513	2.090	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746719	402329414	/nfs/dbraw/zinc/32/94/14/402329414.db2.gz	ZZTUGEDKUHXUKT-BBWFWOEESA-N	2	1	324.513	2.090	20	70		DEIDMP
O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1	ZINC000160613370	355965582	/nfs/dbraw/zinc/96/55/82/355965582.db2.gz	AYWNJSBLJUAVSG-QGZVFWFLSA-N	2	1	322.497	2.082	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	ZINC000159948308	279284792	/nfs/dbraw/zinc/28/47/92/279284792.db2.gz	IWZOUOYMBRRNFK-UHFFFAOYSA-N	2	1	322.497	2.131	20	70		DEIDMP
C[C@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C	ZINC000160660325	402356134	/nfs/dbraw/zinc/35/61/34/402356134.db2.gz	XPGAHWZLCJSHRI-SZMVWBNQSA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1C	ZINC000160660325	402356137	/nfs/dbraw/zinc/35/61/37/402356137.db2.gz	XPGAHWZLCJSHRI-SZMVWBNQSA-N	2	1	315.461	2.422	20	70		DEIDMP
COc1ccccc1[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1	ZINC000159669848	402328240	/nfs/dbraw/zinc/32/82/40/402328240.db2.gz	DUIVWTTWIWMCMH-KRWDZBQOSA-N	2	1	319.449	2.124	20	70		DEIDMP
CC(=O)NC1CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000161357071	277025178	/nfs/dbraw/zinc/02/51/78/277025178.db2.gz	QAJAUBVKNMDGJE-XYUDRNGQSA-N	2	1	309.498	2.390	20	70		DEIDMP
CC(=O)NC1CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000161357071	277025179	/nfs/dbraw/zinc/02/51/79/277025179.db2.gz	QAJAUBVKNMDGJE-XYUDRNGQSA-N	2	1	309.498	2.390	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000159626751	279285434	/nfs/dbraw/zinc/28/54/34/279285434.db2.gz	NHQQLOZUXCCABH-IRXDYDNUSA-N	2	1	324.513	2.092	20	70		DEIDMP
CS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1	ZINC000159736867	186138834	/nfs/dbraw/zinc/13/88/34/186138834.db2.gz	JWJJAQNYBJDVHD-UHFFFAOYSA-N	2	1	310.463	2.056	20	70		DEIDMP
C[C@@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1C	ZINC000161134001	402374700	/nfs/dbraw/zinc/37/47/00/402374700.db2.gz	RBIKPGZQYBWKDB-HUUCEWRRSA-N	2	1	305.470	2.009	20	70		DEIDMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1	ZINC000161392666	402385866	/nfs/dbraw/zinc/38/58/66/402385866.db2.gz	DZXSNTNWTKDBQY-PBHICJAKSA-N	2	1	312.417	2.331	20	70		DEIDMP
C(CN1CCC(OCC[NH+]2CCCC2)CC1)C[NH+]1CCCCC1	ZINC000161388043	402385982	/nfs/dbraw/zinc/38/59/82/402385982.db2.gz	FTXITSDGIJDXMS-UHFFFAOYSA-N	2	1	323.525	2.439	20	70		DEIDMP
CCC[N@@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000161235511	539590101	/nfs/dbraw/zinc/59/01/01/539590101.db2.gz	LODPOCNCEDZFGF-UHFFFAOYSA-N	2	1	306.450	2.366	20	70		DEIDMP
CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC)CC1	ZINC000159836717	402331424	/nfs/dbraw/zinc/33/14/24/402331424.db2.gz	QBAXDUSEKOJVPL-QGZVFWFLSA-N	2	1	324.513	2.378	20	70		DEIDMP
CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC)CC1	ZINC000159836717	402331426	/nfs/dbraw/zinc/33/14/26/402331426.db2.gz	QBAXDUSEKOJVPL-QGZVFWFLSA-N	2	1	324.513	2.378	20	70		DEIDMP
CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC)CC1	ZINC000159836717	402331428	/nfs/dbraw/zinc/33/14/28/402331428.db2.gz	QBAXDUSEKOJVPL-QGZVFWFLSA-N	2	1	324.513	2.378	20	70		DEIDMP
O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1	ZINC000160613504	355965330	/nfs/dbraw/zinc/96/53/30/355965330.db2.gz	AYWNJSBLJUAVSG-KRWDZBQOSA-N	2	1	322.497	2.082	20	70		DEIDMP
CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CCOC)CC1	ZINC000160361471	402342763	/nfs/dbraw/zinc/34/27/63/402342763.db2.gz	OLWGPAQCIGAGKP-KRWDZBQOSA-N	2	1	319.493	2.339	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1	ZINC000160436381	402345511	/nfs/dbraw/zinc/34/55/11/402345511.db2.gz	POQXHSCCTREMGC-QAPCUYQASA-N	2	1	304.434	2.033	20	70		DEIDMP
COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C(C)C	ZINC000160486558	402347799	/nfs/dbraw/zinc/34/77/99/402347799.db2.gz	OPFXFUPQECQPJH-GOSISDBHSA-N	2	1	306.450	2.279	20	70		DEIDMP
CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1	ZINC000160596378	402353321	/nfs/dbraw/zinc/35/33/21/402353321.db2.gz	CUQXARPXQRIETB-WMLDXEAASA-N	2	1	303.450	2.256	20	70		DEIDMP
CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1	ZINC000160596378	402353324	/nfs/dbraw/zinc/35/33/24/402353324.db2.gz	CUQXARPXQRIETB-WMLDXEAASA-N	2	1	303.450	2.256	20	70		DEIDMP
CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH+]1CCCC1	ZINC000161001488	402368872	/nfs/dbraw/zinc/36/88/72/402368872.db2.gz	LAUCBUJKKUOCGW-KRWDZBQOSA-N	2	1	324.513	2.234	20	70		DEIDMP
C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1	ZINC000161451818	525402124	/nfs/dbraw/zinc/40/21/24/525402124.db2.gz	LWSNPQAPWLDGFQ-OAHLLOKOSA-N	3	1	305.466	2.372	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1	ZINC000159638978	402327427	/nfs/dbraw/zinc/32/74/27/402327427.db2.gz	QGRUWWGPQRGYSR-KRWDZBQOSA-N	2	1	324.513	2.236	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000159638978	402327429	/nfs/dbraw/zinc/32/74/29/402327429.db2.gz	QGRUWWGPQRGYSR-KRWDZBQOSA-N	2	1	324.513	2.236	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1	ZINC000159638978	402327430	/nfs/dbraw/zinc/32/74/30/402327430.db2.gz	QGRUWWGPQRGYSR-KRWDZBQOSA-N	2	1	324.513	2.236	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1	ZINC000159738223	279284572	/nfs/dbraw/zinc/28/45/72/279284572.db2.gz	GYKFIPRLZKKIAZ-INIZCTEOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000159738223	279284575	/nfs/dbraw/zinc/28/45/75/279284575.db2.gz	GYKFIPRLZKKIAZ-INIZCTEOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1	ZINC000159738223	279284577	/nfs/dbraw/zinc/28/45/77/279284577.db2.gz	GYKFIPRLZKKIAZ-INIZCTEOSA-N	2	1	324.513	2.234	20	70		DEIDMP
CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CCOC)cc2)CC1	ZINC000160329039	402341056	/nfs/dbraw/zinc/34/10/56/402341056.db2.gz	GOUBUDGUNMIEFN-QGZVFWFLSA-N	2	1	319.493	2.339	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000159937563	521608819	/nfs/dbraw/zinc/60/88/19/521608819.db2.gz	JHYVGFOLNLYQKL-UHFFFAOYSA-N	2	1	312.502	2.233	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1	ZINC000160172148	197390522	/nfs/dbraw/zinc/39/05/22/197390522.db2.gz	CKGJWYMOLQFKHK-YOEHRIQHSA-N	2	1	303.450	2.256	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000160172148	197390524	/nfs/dbraw/zinc/39/05/24/197390524.db2.gz	CKGJWYMOLQFKHK-YOEHRIQHSA-N	2	1	303.450	2.256	20	70		DEIDMP
C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1	ZINC000159802470	197365824	/nfs/dbraw/zinc/36/58/24/197365824.db2.gz	OKODVDNSSNZNNM-SFHVURJKSA-N	2	1	315.461	2.280	20	70		DEIDMP
CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCOC1	ZINC000160487248	522882968	/nfs/dbraw/zinc/88/29/68/522882968.db2.gz	OXUJYXDAYRIJPW-RBUKOAKNSA-N	2	1	318.461	2.424	20	70		DEIDMP
Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(C)C)cc1	ZINC000160956501	527380746	/nfs/dbraw/zinc/38/07/46/527380746.db2.gz	MLWVACJBQDVFAQ-ZDUSSCGKSA-N	2	1	300.406	2.356	20	70		DEIDMP
COC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1	ZINC000161351719	355969066	/nfs/dbraw/zinc/96/90/66/355969066.db2.gz	YYBHCDICSWAATP-UHFFFAOYSA-N	2	1	311.385	2.190	20	70		DEIDMP
CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000161068225	197461923	/nfs/dbraw/zinc/46/19/23/197461923.db2.gz	GDTKFPJDAZVPLM-QGZVFWFLSA-N	2	1	303.450	2.137	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)CC1	ZINC000159625976	276366669	/nfs/dbraw/zinc/36/66/69/276366669.db2.gz	WYKWWPGJJHXUIO-UHFFFAOYSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1	ZINC000159625976	276366671	/nfs/dbraw/zinc/36/66/71/276366671.db2.gz	WYKWWPGJJHXUIO-UHFFFAOYSA-N	2	1	324.513	2.378	20	70		DEIDMP
CC[NH+]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1	ZINC000159625976	276366673	/nfs/dbraw/zinc/36/66/73/276366673.db2.gz	WYKWWPGJJHXUIO-UHFFFAOYSA-N	2	1	324.513	2.378	20	70		DEIDMP
COCCN(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1	ZINC000159368585	523610576	/nfs/dbraw/zinc/61/05/76/523610576.db2.gz	NWIMZGXZYPUNOZ-OAHLLOKOSA-N	2	1	316.449	2.410	20	70		DEIDMP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]cc1C(N)=O	ZINC000160218237	197393098	/nfs/dbraw/zinc/39/30/98/197393098.db2.gz	FMYOOLAOJVBXSI-DYVFJYSZSA-N	2	1	310.401	2.113	20	70		DEIDMP
C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc[nH+]cc1C(N)=O	ZINC000160218237	197393101	/nfs/dbraw/zinc/39/31/01/197393101.db2.gz	FMYOOLAOJVBXSI-DYVFJYSZSA-N	2	1	310.401	2.113	20	70		DEIDMP
CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CCOC)cc2)CC1	ZINC000160328920	402340945	/nfs/dbraw/zinc/34/09/45/402340945.db2.gz	GOUBUDGUNMIEFN-KRWDZBQOSA-N	2	1	319.493	2.339	20	70		DEIDMP
COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1	ZINC000160506952	402348834	/nfs/dbraw/zinc/34/88/34/402348834.db2.gz	VQVOQWSKIGGAOT-GOSISDBHSA-N	2	1	304.434	2.033	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000159728270	279285447	/nfs/dbraw/zinc/28/54/47/279285447.db2.gz	QASGRPZYZRXJKW-FUHWJXTLSA-N	2	1	324.513	2.234	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1	ZINC000160172012	197390295	/nfs/dbraw/zinc/39/02/95/197390295.db2.gz	CKGJWYMOLQFKHK-WMLDXEAASA-N	2	1	303.450	2.256	20	70		DEIDMP
CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1	ZINC000160172012	197390296	/nfs/dbraw/zinc/39/02/96/197390296.db2.gz	CKGJWYMOLQFKHK-WMLDXEAASA-N	2	1	303.450	2.256	20	70		DEIDMP
C[C@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@H+]1C	ZINC000161134136	402374640	/nfs/dbraw/zinc/37/46/40/402374640.db2.gz	RBIKPGZQYBWKDB-LSDHHAIUSA-N	2	1	305.470	2.009	20	70		DEIDMP
O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NCC(F)(F)F	ZINC000160521914	402349462	/nfs/dbraw/zinc/34/94/62/402349462.db2.gz	AYZDVHHSYZASCV-UHFFFAOYSA-N	2	1	321.387	2.052	20	70		DEIDMP
C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@@H+]1C	ZINC000160659920	278027706	/nfs/dbraw/zinc/02/77/06/278027706.db2.gz	XPGAHWZLCJSHRI-NXHRZFHOSA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2ccccc2)CC[N@H+]1C	ZINC000160659920	278027708	/nfs/dbraw/zinc/02/77/08/278027708.db2.gz	XPGAHWZLCJSHRI-NXHRZFHOSA-N	2	1	315.461	2.422	20	70		DEIDMP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCOCC1	ZINC000160505512	525463101	/nfs/dbraw/zinc/46/31/01/525463101.db2.gz	WCMMIJDUQQYCEX-INIZCTEOSA-N	2	1	318.461	2.424	20	70		DEIDMP
CC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1	ZINC000160362254	402342782	/nfs/dbraw/zinc/34/27/82/402342782.db2.gz	ISIGEUCFPUKIKO-LJQANCHMSA-N	2	1	319.493	2.339	20	70		DEIDMP
C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CCOc2ccccc2)CC1	ZINC000161295487	402381552	/nfs/dbraw/zinc/38/15/52/402381552.db2.gz	IKISYCQCIMXILT-SFHVURJKSA-N	2	1	317.477	2.167	20	70		DEIDMP
C[N@H+]1CCC[C@H]1CCN1CC[NH+](CCOc2ccccc2)CC1	ZINC000161295487	402381554	/nfs/dbraw/zinc/38/15/54/402381554.db2.gz	IKISYCQCIMXILT-SFHVURJKSA-N	2	1	317.477	2.167	20	70		DEIDMP
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153159	288102026	/nfs/dbraw/zinc/10/20/26/288102026.db2.gz	ZAYVJYICNQBGAG-PMPSAXMXSA-N	2	1	319.497	2.255	20	70		DEIDMP
c1cc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)ccn1	ZINC000161459401	402388152	/nfs/dbraw/zinc/38/81/52/402388152.db2.gz	VVFDSCBDPWOBGL-UHFFFAOYSA-N	2	1	302.466	2.075	20	70		DEIDMP
CC[N@H+]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000159871651	402332173	/nfs/dbraw/zinc/33/21/73/402332173.db2.gz	SBSSCAPAHZNOQK-HNNXBMFYSA-N	2	1	312.502	2.090	20	70		DEIDMP
CC[C@H](COC)[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1	ZINC000160329754	522260851	/nfs/dbraw/zinc/26/08/51/522260851.db2.gz	QUCZKKJQAYTBSG-LJQANCHMSA-N	2	1	319.493	2.339	20	70		DEIDMP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1	ZINC000160580680	402352365	/nfs/dbraw/zinc/35/23/65/402352365.db2.gz	FAKYATNPNOMUJP-QAPCUYQASA-N	2	1	304.434	2.033	20	70		DEIDMP
CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](CC)CC1	ZINC000159814454	402331454	/nfs/dbraw/zinc/33/14/54/402331454.db2.gz	ZVCOGHSHATVLGU-UHFFFAOYSA-N	2	1	312.502	2.236	20	70		DEIDMP
CC(=O)NC1CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000161357189	277025155	/nfs/dbraw/zinc/02/51/55/277025155.db2.gz	QAJAUBVKNMDGJE-AQKMWONCSA-N	2	1	309.498	2.390	20	70		DEIDMP
COc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1	ZINC000159669977	295385459	/nfs/dbraw/zinc/38/54/59/295385459.db2.gz	DUIVWTTWIWMCMH-QGZVFWFLSA-N	2	1	319.449	2.124	20	70		DEIDMP