smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[C@@H]([NH3+])c1cc(Br)ccc1O	ZINC000575438720	400609408	/nfs/dbraw/zinc/60/94/08/400609408.db2.gz	DEECDSWMXSDWDH-SNVBAGLBSA-N	2	0	273.174	2.284	10	10		CECERP
C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cc(O)ccc1O	ZINC000020129059	171016094	/nfs/dbraw/zinc/01/60/94/171016094.db2.gz	VHBSQADZSRIANA-GFCCVEGCSA-N	2	0	264.369	2.234	10	10		CECERP
[NH3+]Cc1ccc(N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000020265961	295278301	/nfs/dbraw/zinc/27/83/01/295278301.db2.gz	FBCWQUWYPBGFEJ-UHFFFAOYSA-N	2	0	259.397	2.210	10	10		CECERP
COc1ccc(N2CC[NH+]([C@H]3CCC[C@H]([NH3+])C3)CC2)cc1	ZINC000071646023	134974062	/nfs/dbraw/zinc/97/40/62/134974062.db2.gz	UMQXYKWIOIZZHV-HOCLYGCPSA-N	2	0	289.423	2.087	10	10		CECERP
C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCC[NH2+]CC1	ZINC000231462815	639855964	/nfs/dbraw/zinc/85/59/64/639855964.db2.gz	WKDSWILNWCWRKO-ZDUSSCGKSA-N	2	0	252.333	2.105	10	10		CECERP
C[NH2+]Cc1ccc(N2CC[NH+](C(C)C)CC2)c(C)c1	ZINC000050560488	522120439	/nfs/dbraw/zinc/12/04/39/522120439.db2.gz	SARCULLDZQPVKB-UHFFFAOYSA-N	2	0	261.413	2.245	10	10		CECERP
C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(O)cc1O	ZINC000020129033	171016665	/nfs/dbraw/zinc/01/66/65/171016665.db2.gz	QDPTVAKMUXWJOC-LBPRGKRZSA-N	2	0	264.369	2.234	10	10		CECERP
[NH3+]CCCC[C@H]([NH3+])c1ccc(Br)cc1O	ZINC000575440323	366287680	/nfs/dbraw/zinc/28/76/80/366287680.db2.gz	NWZPHQIFOYZDFV-JTQLQIEISA-N	2	0	273.174	2.284	10	10		CECERP
C[C@@H](C[NH2+]Cc1ccc(O)cc1O)C[NH+]1CCCCC1	ZINC000038041844	174044375	/nfs/dbraw/zinc/04/43/75/174044375.db2.gz	BUHIESLTXKGIFU-ZDUSSCGKSA-N	2	0	278.396	2.309	10	10		CECERP
Oc1ccc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1	ZINC000038086973	174098941	/nfs/dbraw/zinc/09/89/41/174098941.db2.gz	PKOKNEKGGITIMQ-UHFFFAOYSA-N	2	0	256.349	2.341	10	10		CECERP
C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2ccc(N(C)C)cc2)C1	ZINC000071141753	176039615	/nfs/dbraw/zinc/03/96/15/176039615.db2.gz	LCCFFGMMMDCHNG-ZIAGYGMSSA-N	2	0	261.413	2.355	10	10		CECERP
C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(O)cc1O	ZINC000049553156	524167100	/nfs/dbraw/zinc/16/71/00/524167100.db2.gz	PLFLWTCQCYXURI-GHMZBOCLSA-N	2	0	252.358	2.089	10	10		CECERP
C[C@@H]([NH3+])c1ccc(N2CCC[C@@H]2C[NH+](C)C)c(F)c1	ZINC000061644790	525026938	/nfs/dbraw/zinc/02/69/38/525026938.db2.gz	VOLZOOYJXPNFID-DGCLKSJQSA-N	2	0	265.376	2.376	10	10		CECERP
CC[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)cc1	ZINC000061646010	519998320	/nfs/dbraw/zinc/99/83/20/519998320.db2.gz	KBTSPHSEBXJEDD-MRXNPFEDSA-N	2	0	261.413	2.327	10	10		CECERP
CC[NH2+]Cc1ccc(N2CCC[N@H+](C)CC2)c(C)c1	ZINC000050560009	519997464	/nfs/dbraw/zinc/99/74/64/519997464.db2.gz	PEQORYQZZHGOQV-UHFFFAOYSA-N	2	0	261.413	2.246	10	10		CECERP
COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1O	ZINC000312657528	628361605	/nfs/dbraw/zinc/36/16/05/628361605.db2.gz	GREGGFPXDKIMMX-XDTLVQLUSA-N	2	0	296.798	2.223	10	10		CECERP
[NH3+]CCCC[C@H]([NH3+])c1cc(Br)ccc1O	ZINC000575438055	400609567	/nfs/dbraw/zinc/60/95/67/400609567.db2.gz	DEECDSWMXSDWDH-JTQLQIEISA-N	2	0	273.174	2.284	10	10		CECERP
C[NH2+]Cc1ccc(N2CCC[C@@H]2C[NH+](C)C)c(C)c1	ZINC000061645934	522119598	/nfs/dbraw/zinc/11/95/98/522119598.db2.gz	PLUOBOVOQNGQTG-OAHLLOKOSA-N	2	0	261.413	2.245	10	10		CECERP
CN(C)c1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1	ZINC000231463007	639857149	/nfs/dbraw/zinc/85/71/49/639857149.db2.gz	UUUQOGIAVGZZRH-INIZCTEOSA-N	2	0	261.413	2.327	10	10		CECERP
CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(C)c1	ZINC000050559741	519950020	/nfs/dbraw/zinc/95/00/20/519950020.db2.gz	ZEHLAIGEJQMMGH-UHFFFAOYSA-N	2	0	261.413	2.246	10	10		CECERP
CC[NH2+]Cc1ccc(N2CC[C@@H]([NH+](C)C)C2)c(C)c1	ZINC000062966993	519998290	/nfs/dbraw/zinc/99/82/90/519998290.db2.gz	ZEFIVIUXGHKBCT-OAHLLOKOSA-N	2	0	261.413	2.245	10	10		CECERP
CCC[NH+]1CCN(c2ccc(C[NH2+]C)cc2C)CC1	ZINC000050559977	519860333	/nfs/dbraw/zinc/86/03/33/519860333.db2.gz	JJWKCXFMDSVJEE-UHFFFAOYSA-N	2	0	261.413	2.246	10	10		CECERP
CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1C	ZINC000050581035	519949421	/nfs/dbraw/zinc/94/94/21/519949421.db2.gz	RDKZSRFKUKGPSM-UHFFFAOYSA-N	2	0	261.413	2.246	10	10		CECERP
[NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)cc1O	ZINC000575439907	366288036	/nfs/dbraw/zinc/28/80/36/366288036.db2.gz	NWZPHQIFOYZDFV-SNVBAGLBSA-N	2	0	273.174	2.284	10	10		CECERP
C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH+](C)C1	ZINC000156017250	638608001	/nfs/dbraw/zinc/60/80/01/638608001.db2.gz	FLOPPDNLNGWQCZ-NSHDSACASA-N	2	0	268.788	2.429	10	10		CECERP
C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2ccc(N(C)C)cc2)C1	ZINC000071141751	176039432	/nfs/dbraw/zinc/03/94/32/176039432.db2.gz	LCCFFGMMMDCHNG-UONOGXRCSA-N	2	0	261.413	2.355	10	10		CECERP
C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)C1	ZINC000071141805	176039925	/nfs/dbraw/zinc/03/99/25/176039925.db2.gz	WJLSKHRIVSQLGL-NWDGAFQWSA-N	2	0	264.369	2.003	10	10		CECERP
C[C@H](C[NH2+]Cc1ccc(O)cc1O)C[NH+]1CCCCC1	ZINC000038041845	174044016	/nfs/dbraw/zinc/04/40/16/174044016.db2.gz	BUHIESLTXKGIFU-CYBMUJFWSA-N	2	0	278.396	2.309	10	10		CECERP
CN(C[C@@H]1CC[N@H+](C)C1)c1ccc(C[NH3+])c(Cl)c1	ZINC000071187581	176060510	/nfs/dbraw/zinc/06/05/10/176060510.db2.gz	GHJALFGFCNIBFH-LLVKDONJSA-N	2	0	267.804	2.187	10	10		CECERP
CC[C@H](C)[NH+]1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000055068609	523960740	/nfs/dbraw/zinc/96/07/40/523960740.db2.gz	GNUYFZGGNBRJFX-AWEZNQCLSA-N	2	0	261.413	2.374	10	10		CECERP
CC[C@@H](C)[NH+]1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000055068607	522133865	/nfs/dbraw/zinc/13/38/65/522133865.db2.gz	GNUYFZGGNBRJFX-CQSZACIVSA-N	2	0	261.413	2.374	10	10		CECERP
C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000049553153	524476682	/nfs/dbraw/zinc/47/66/82/524476682.db2.gz	PLFLWTCQCYXURI-QWRGUYRKSA-N	2	0	252.358	2.089	10	10		CECERP
Nc1cc(C[NH+]2CCCC2)c(O)c(C[NH+]2CCCC2)c1	ZINC000027883080	361661491	/nfs/dbraw/zinc/66/14/91/361661491.db2.gz	ZCVLBPMYDFQUBD-UHFFFAOYSA-N	2	0	275.396	2.166	10	10		CECERP
C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(O)cc1O	ZINC000049553155	525596353	/nfs/dbraw/zinc/59/63/53/525596353.db2.gz	PLFLWTCQCYXURI-WDEREUQCSA-N	2	0	252.358	2.089	10	10		CECERP
[NH3+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)c(Cl)c1	ZINC000062793024	527256197	/nfs/dbraw/zinc/25/61/97/527256197.db2.gz	IXUHCQMQSICBHH-UHFFFAOYSA-N	2	0	279.815	2.331	10	10		CECERP
C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(O)cc1O	ZINC000019913003	170923442	/nfs/dbraw/zinc/92/34/42/170923442.db2.gz	POSPGOULODHCAE-CYBMUJFWSA-N	2	0	278.396	2.452	10	10		CECERP
C[NH+](C)Cc1ccccc1C[NH2+]Cc1ccc(O)c(O)c1	ZINC000020128588	171015056	/nfs/dbraw/zinc/01/50/56/171015056.db2.gz	AHVHEXCXPBYSFJ-UHFFFAOYSA-N	2	0	286.375	2.449	10	10		CECERP
[NH3+]C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000020521472	171234969	/nfs/dbraw/zinc/23/49/69/171234969.db2.gz	SFYGYWXMOJTXJO-UHFFFAOYSA-N	2	0	256.349	2.469	10	10		CECERP
C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000049553232	524168905	/nfs/dbraw/zinc/16/89/05/524168905.db2.gz	LBRFDLRMCZLMRE-MNOVXSKESA-N	2	0	252.358	2.089	10	10		CECERP
CN(c1ccc(C[NH3+])cc1Cl)[C@@H]1CCC[N@H+](C)C1	ZINC000062793159	523637478	/nfs/dbraw/zinc/63/74/78/523637478.db2.gz	OTORZTYQXBEILS-GFCCVEGCSA-N	2	0	267.804	2.329	10	10		CECERP
CC(C)[NH+]1CCC([NH2+]Cc2ccc(O)cc2O)CC1	ZINC000020189050	171054565	/nfs/dbraw/zinc/05/45/65/171054565.db2.gz	VMDHSKWXKPUROC-UHFFFAOYSA-N	2	0	264.369	2.060	10	10		CECERP
[N-]=[N+]=NCCC[NH2+]CCCC[NH2+]CCCN=[N+]=[N-]	ZINC000616581029	348525927	/nfs/dbraw/zinc/52/59/27/348525927.db2.gz	OZRXHZIUQXHTGP-UHFFFAOYSA-N	2	0	254.342	2.347	10	10		CECERP
CN(C)c1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1	ZINC000231462983	639856964	/nfs/dbraw/zinc/85/69/64/639856964.db2.gz	UUUQOGIAVGZZRH-MRXNPFEDSA-N	2	0	261.413	2.327	10	10		CECERP
Oc1ccccc1C[NH2+]CCC[NH2+]Cc1ccccc1O	ZINC000002984607	169847496	/nfs/dbraw/zinc/84/74/96/169847496.db2.gz	KTWSKIQUAVAPQO-UHFFFAOYSA-N	2	0	286.375	2.367	10	10		CECERP
C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCC[NH2+]CC1	ZINC000231462788	628941031	/nfs/dbraw/zinc/94/10/31/628941031.db2.gz	WKDSWILNWCWRKO-CYBMUJFWSA-N	2	0	252.333	2.105	10	10		CECERP
C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)c2cc(OC)ccc2O)C1	ZINC000071141806	176040429	/nfs/dbraw/zinc/04/04/29/176040429.db2.gz	WJLSKHRIVSQLGL-VXGBXAGGSA-N	2	0	264.369	2.003	10	10		CECERP
C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CC[NH+](C)C1	ZINC000154657859	261093753	/nfs/dbraw/zinc/09/37/53/261093753.db2.gz	ZEABLPGWKPTRPC-LLVKDONJSA-N	2	0	268.788	2.429	10	10		CECERP
C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CC[NH+](C)C1	ZINC000154657758	261093977	/nfs/dbraw/zinc/09/39/77/261093977.db2.gz	ZEABLPGWKPTRPC-NSHDSACASA-N	2	0	268.788	2.429	10	10		CECERP
C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cc(O)ccc1O	ZINC000049553234	524168986	/nfs/dbraw/zinc/16/89/86/524168986.db2.gz	LBRFDLRMCZLMRE-GHMZBOCLSA-N	2	0	252.358	2.089	10	10		CECERP
CCC[NH+]1CCC([NH2+]Cc2ccc(O)cc2O)CC1	ZINC000020189624	171055826	/nfs/dbraw/zinc/05/58/26/171055826.db2.gz	JLJCEZUPBIMEBN-UHFFFAOYSA-N	2	0	264.369	2.062	10	10		CECERP
C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH+](C)C1	ZINC000156017382	638608117	/nfs/dbraw/zinc/60/81/17/638608117.db2.gz	FLOPPDNLNGWQCZ-LLVKDONJSA-N	2	0	268.788	2.429	10	10		CECERP
C[NH2+]Cc1ccc(N(C)C2CC[NH+](C)CC2)cc1C	ZINC000050581360	522120499	/nfs/dbraw/zinc/12/04/99/522120499.db2.gz	RIHOHJPUWLWBJH-UHFFFAOYSA-N	2	0	261.413	2.245	10	10		CECERP
CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(F)c1[O-]	ZINC000226583986	639554551	/nfs/dbraw/zinc/55/45/51/639554551.db2.gz	AXGUXPDRMAGRLT-UHFFFAOYSA-N	2	0	254.349	2.351	10	10		CECERP
CC1(C)CC([NH2+]Cc2ccc(O)cc2O)CC(C)(C)[NH2+]1	ZINC000020143201	171029095	/nfs/dbraw/zinc/02/90/95/171029095.db2.gz	NIICECBHPOJPET-UHFFFAOYSA-N	2	0	278.396	2.497	10	10		CECERP
CCOc1cccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c1O	ZINC000156020289	366826195	/nfs/dbraw/zinc/82/61/95/366826195.db2.gz	AZNYDRIUHHBFDL-ZDUSSCGKSA-N	2	0	278.396	2.174	10	10		CECERP
C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(O)cc1O	ZINC000049553154	524168288	/nfs/dbraw/zinc/16/82/88/524168288.db2.gz	PLFLWTCQCYXURI-MNOVXSKESA-N	2	0	252.358	2.089	10	10		CECERP
CCOc1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1O	ZINC000231455995	639854122	/nfs/dbraw/zinc/85/41/22/639854122.db2.gz	DQBGSOLWYUXAOA-AWEZNQCLSA-N	2	0	278.396	2.365	10	10		CECERP
NC(N)=[NH+]Nc1c2ccccc2[nH+]c2ccccc21	ZINC000004738462	170008144	/nfs/dbraw/zinc/00/81/44/170008144.db2.gz	JHPKVYXKCHTPLJ-UHFFFAOYSA-N	2	0	251.293	2.198	10	10		CECERP
CN1CCc2cc(C[NH2+]CCCC[NH+](C)C)ccc21	ZINC000050286963	524052767	/nfs/dbraw/zinc/05/27/67/524052767.db2.gz	LEJSIRYHJWNZHL-UHFFFAOYSA-N	2	0	261.413	2.110	10	10		CECERP
CN1CCCc2cc(C[NH2+]C3CCC([NH3+])CC3)ccc21	ZINC000051694491	624523051	/nfs/dbraw/zinc/52/30/51/624523051.db2.gz	WJERSGOUZHZGKX-UHFFFAOYSA-N	2	0	273.424	2.429	10	10		CECERP
CC[NH2+]Cc1ccc(N2CC[C@H]([NH+](C)C)C2)c(C)c1	ZINC000062966992	519997815	/nfs/dbraw/zinc/99/78/15/519997815.db2.gz	ZEFIVIUXGHKBCT-HNNXBMFYSA-N	2	0	261.413	2.245	10	10		CECERP
CN(C[C@H]1CC[N@H+](C)C1)c1ccc(C[NH3+])c(Cl)c1	ZINC000071187580	176060820	/nfs/dbraw/zinc/06/08/20/176060820.db2.gz	GHJALFGFCNIBFH-NSHDSACASA-N	2	0	267.804	2.187	10	10		CECERP
C[NH+](C)CC1CCN(c2ccc(C[NH3+])cc2F)CC1	ZINC000042390703	134888137	/nfs/dbraw/zinc/88/81/37/134888137.db2.gz	CMPZTRLZZBFFGA-UHFFFAOYSA-N	2	0	265.376	2.062	10	10		CECERP
CN(c1ccc(C[NH3+])cc1Cl)[C@H]1CCC[N@H+](C)C1	ZINC000062793158	523637107	/nfs/dbraw/zinc/63/71/07/523637107.db2.gz	OTORZTYQXBEILS-LBPRGKRZSA-N	2	0	267.804	2.329	10	10		CECERP
C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CCN1C	ZINC000158824469	629234779	/nfs/dbraw/zinc/23/47/79/629234779.db2.gz	FGVLUBRCPCCOCP-PWSUYJOCSA-N	2	0	252.333	2.104	10	10		CECERP
CCC[NH+]1CCN(c2ccc([C@H](C)[NH3+])cc2F)CC1	ZINC000019872661	534932972	/nfs/dbraw/zinc/93/29/72/534932972.db2.gz	DZHJSXJFSUEZRS-LBPRGKRZSA-N	2	0	265.376	2.377	10	10		CECERP
COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1O	ZINC000312657530	628361277	/nfs/dbraw/zinc/36/12/77/628361277.db2.gz	GREGGFPXDKIMMX-ZWKOPEQDSA-N	2	0	296.798	2.223	10	10		CECERP
CC[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)cc1	ZINC000061646011	519998484	/nfs/dbraw/zinc/99/84/84/519998484.db2.gz	KBTSPHSEBXJEDD-INIZCTEOSA-N	2	0	261.413	2.327	10	10		CECERP
COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1O	ZINC000312657526	628360514	/nfs/dbraw/zinc/36/05/14/628360514.db2.gz	GREGGFPXDKIMMX-TVYUQYBPSA-N	2	0	296.798	2.223	10	10		CECERP
C[NH2+][C@@H](C)c1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000036192358	536350686	/nfs/dbraw/zinc/35/06/86/536350686.db2.gz	PYSZQPVLONIMOL-ZDUSSCGKSA-N	2	0	261.413	2.497	10	10		CECERP
CCCN(CC[NH+](C)C)c1ccc(C[NH2+]C)c(C)c1	ZINC000050584818	521659075	/nfs/dbraw/zinc/65/90/75/521659075.db2.gz	DBPRKBJVDABHLN-UHFFFAOYSA-N	2	0	263.429	2.492	10	10		CECERP
C[NH2+]Cc1ccc(N2CCC[C@H]2C[NH+](C)C)c(C)c1	ZINC000061645936	522120223	/nfs/dbraw/zinc/12/02/23/522120223.db2.gz	PLUOBOVOQNGQTG-HNNXBMFYSA-N	2	0	261.413	2.245	10	10		CECERP
C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cc(O)ccc1O	ZINC000049553233	525597172	/nfs/dbraw/zinc/59/71/72/525597172.db2.gz	LBRFDLRMCZLMRE-WDEREUQCSA-N	2	0	252.358	2.089	10	10		CECERP
C[C@@H]([NH3+])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1	ZINC000062980844	525029393	/nfs/dbraw/zinc/02/93/93/525029393.db2.gz	YZTBOIMYUFEFKR-CJNGLKHVSA-N	2	0	259.397	2.381	10	10		CECERP
COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1O	ZINC000312657523	628360673	/nfs/dbraw/zinc/36/06/73/628360673.db2.gz	GREGGFPXDKIMMX-BIMULSAOSA-N	2	0	296.798	2.223	10	10		CECERP
CCC[NH+]1CCN(c2ccc(C[NH3+])cc2Cl)CC1	ZINC000062792813	519859979	/nfs/dbraw/zinc/85/99/79/519859979.db2.gz	ZANOPYOPJGFEDU-UHFFFAOYSA-N	2	0	267.804	2.331	10	10		CECERP
C[C@H]([NH3+])c1ccc(N2CCC[C@@H]2C[NH+](C)C)c(F)c1	ZINC000061644789	524863677	/nfs/dbraw/zinc/86/36/77/524863677.db2.gz	VOLZOOYJXPNFID-WCQYABFASA-N	2	0	265.376	2.376	10	10		CECERP
C[C@@H]([NH3+])c1ccc(N(C)CCC[NH+](C)C)c(F)c1	ZINC000104195771	185926078	/nfs/dbraw/zinc/92/60/78/185926078.db2.gz	LDHAXDZYTYXKDI-LLVKDONJSA-N	2	0	253.365	2.233	10	10		CECERP
CCOc1cccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c1O	ZINC000156020170	366825482	/nfs/dbraw/zinc/82/54/82/366825482.db2.gz	AZNYDRIUHHBFDL-CYBMUJFWSA-N	2	0	278.396	2.174	10	10		CECERP
C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(O)cc1O	ZINC000020129032	171015920	/nfs/dbraw/zinc/01/59/20/171015920.db2.gz	QDPTVAKMUXWJOC-GFCCVEGCSA-N	2	0	264.369	2.234	10	10		CECERP
C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cc(O)ccc1O	ZINC000020129060	171016482	/nfs/dbraw/zinc/01/64/82/171016482.db2.gz	VHBSQADZSRIANA-LBPRGKRZSA-N	2	0	264.369	2.234	10	10		CECERP
CC[NH+](CC)CCN1CCCc2cc(C[NH3+])ccc21	ZINC000062801558	520665855	/nfs/dbraw/zinc/66/58/55/520665855.db2.gz	NWDZDVXLRIDFFI-UHFFFAOYSA-N	2	0	261.413	2.240	10	10		CECERP
CC[NH+](CC)[C@H]1CCN(c2ccc(C[NH3+])cc2C)C1	ZINC000062967173	520873950	/nfs/dbraw/zinc/87/39/50/520873950.db2.gz	DQXKSWRQCHCZOJ-HNNXBMFYSA-N	2	0	261.413	2.374	10	10		CECERP
C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cc(O)ccc1O	ZINC000049553231	524477346	/nfs/dbraw/zinc/47/73/46/524477346.db2.gz	LBRFDLRMCZLMRE-QWRGUYRKSA-N	2	0	252.358	2.089	10	10		CECERP
CCOc1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1O	ZINC000231455967	639855354	/nfs/dbraw/zinc/85/53/54/639855354.db2.gz	DQBGSOLWYUXAOA-CQSZACIVSA-N	2	0	278.396	2.365	10	10		CECERP