smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN([C@H](C[NH3+])c3ccco3)CC2)cc1	ZINC000019795783	182151175	/nfs/dbraw/zinc/15/11/75/182151175.db2.gz	KVLBJBLIMUFLET-MRXNPFEDSA-N	1	0	301.390	2.110	50	10		DECARO
Cc1cc(O)c(C[NH+]2CCC(C(=O)NC3CC3)CC2)cc1C	ZINC000058267505	184096955	/nfs/dbraw/zinc/09/69/55/184096955.db2.gz	NMZHRRPBBZFAGO-UHFFFAOYSA-N	1	0	302.418	2.500	50	10		DECARO
CCCC[N+]1=C2SCCCN2C[C@]1(O)c1ccc(OC)cc1	ZINC000003280986	181000156	/nfs/dbraw/zinc/00/01/56/181000156.db2.gz	IREHVHSBJLUJJX-KRWDZBQOSA-N	1	0	321.466	2.461	50	10		DECARO
CN(C)c1ccc([C@H](CNC(=O)c2ccco2)[NH+](C)C)cc1	ZINC000005097801	181203238	/nfs/dbraw/zinc/20/32/38/181203238.db2.gz	NUXXSZWQOSZSDA-HNNXBMFYSA-N	1	0	301.390	2.378	50	10		DECARO
COc1cc(Br)cc(C[NH+]2CCC(O)CC2)c1O	ZINC000023282159	182355925	/nfs/dbraw/zinc/35/59/25/182355925.db2.gz	GTYWWIWMPWAHQA-UHFFFAOYSA-N	1	0	316.195	2.120	50	10		DECARO
Cn1cc(Cn2ccnc2-c2ccc(O)c(C[NH+](C)C)c2)cn1	ZINC000071498707	402274837	/nfs/dbraw/zinc/27/48/37/402274837.db2.gz	GTYZXYWZHDBJGA-UHFFFAOYSA-N	1	0	311.389	2.099	50	10		DECARO
OC1CCN(c2ccc(C[NH2+]Cc3cccnc3)cc2F)CC1	ZINC000071825306	402283440	/nfs/dbraw/zinc/28/34/40/402283440.db2.gz	CYQHMHBMQXMINH-UHFFFAOYSA-N	1	0	315.392	2.472	50	10		DECARO
C[NH+]1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	ZINC000071385435	539346323	/nfs/dbraw/zinc/34/63/23/539346323.db2.gz	RZFCPUSJUVYNMY-UHFFFAOYSA-N	1	0	301.434	2.245	50	10		DECARO
C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162627	185418106	/nfs/dbraw/zinc/41/81/06/185418106.db2.gz	XMXTUUKHHMRBEY-MRXNPFEDSA-N	1	0	321.440	2.094	50	10		DECARO
NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3cccnc3)cc2)C1	ZINC000054179194	402063761	/nfs/dbraw/zinc/06/37/61/402063761.db2.gz	MTMBPNQFEVKYJI-KRWDZBQOSA-N	1	0	324.428	2.073	50	10		DECARO
c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2	ZINC000069600135	402233543	/nfs/dbraw/zinc/23/35/43/402233543.db2.gz	FVUFOBSQYGAACV-INIZCTEOSA-N	1	0	311.433	2.373	50	10		DECARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Cl)ccc2O)N1	ZINC000007126830	303360438	/nfs/dbraw/zinc/36/04/38/303360438.db2.gz	ZHMWPCZTUSWCMW-ZDUSSCGKSA-N	1	0	313.748	2.492	50	10		DECARO
N#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccccc1	ZINC000004837427	534973989	/nfs/dbraw/zinc/97/39/89/534973989.db2.gz	MNBHSGKOGWFIOP-OAHLLOKOSA-N	1	0	308.341	2.289	50	10		DECARO
Cc1cc(O)c(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1C	ZINC000048260304	424830994	/nfs/dbraw/zinc/83/09/94/424830994.db2.gz	RGAQBVDELZXYGX-UHFFFAOYSA-N	1	0	302.418	2.500	50	10		DECARO
N#[N+]CC(=O)[C@H](Cc1ccccc1)NC(=S)Nc1ccccc1	ZINC000100702722	304849375	/nfs/dbraw/zinc/84/93/75/304849375.db2.gz	WJFGAQHVPVUPEW-HNNXBMFYSA-N	1	0	324.409	2.454	50	10		DECARO
COC(=O)c1cc(C[NH2+][C@H](C)c2cc(OC)ccc2O)cn1C	ZINC000408516964	533829134	/nfs/dbraw/zinc/82/91/34/533829134.db2.gz	AUZBWPLJCYHZRO-LLVKDONJSA-N	1	0	318.373	2.377	50	10		DECARO
CCn1nncc1C[NH2+]Cc1cc(Br)ccc1O	ZINC000841884995	623180478	/nfs/dbraw/zinc/18/04/78/623180478.db2.gz	BEPARZLMONCXNJ-UHFFFAOYSA-N	1	0	311.183	2.056	50	10		DECARO
O=C1N=C(N2CC[N@@H+]3CCC[C@@H]3C2)S/C1=C/c1ccccc1	ZINC000020607876	296355071	/nfs/dbraw/zinc/35/50/71/296355071.db2.gz	YQRSFQXYLCBEBA-XDPMZMSMSA-N	1	0	313.426	2.437	50	10		DECARO
Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1cccc(F)c1	ZINC000160250579	355964325	/nfs/dbraw/zinc/96/43/25/355964325.db2.gz	BBKINRJSNLVLNI-CQSZACIVSA-N	1	0	301.365	2.406	50	10		DECARO
C[C@@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)cc1	ZINC000237364836	202245103	/nfs/dbraw/zinc/24/51/03/202245103.db2.gz	YBHUPJMXFNOFHB-CQSZACIVSA-N	1	0	300.406	2.108	50	10		DECARO
CC[N@H+](CCO)Cc1cc(-c2cccc(OC)n2)ccc1O	ZINC000020776581	683859345	/nfs/dbraw/zinc/85/93/45/683859345.db2.gz	LOPIAOBRIUYQQR-UHFFFAOYSA-N	1	0	302.374	2.277	50	10		DECARO
COc1ccc(N2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1	ZINC000065625977	184375426	/nfs/dbraw/zinc/37/54/26/184375426.db2.gz	RHNZBOIBGDXXJU-UHFFFAOYSA-N	1	0	319.449	2.074	50	10		DECARO
N#[N+]CC(=O)[C@@H](Cc1ccccc1)NC(=S)Nc1ccccc1	ZINC000012320979	304849307	/nfs/dbraw/zinc/84/93/07/304849307.db2.gz	WJFGAQHVPVUPEW-OAHLLOKOSA-N	1	0	324.409	2.454	50	10		DECARO
CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1	ZINC000534650513	334311691	/nfs/dbraw/zinc/31/16/91/334311691.db2.gz	VAGPBJSMQZUPQR-OAHLLOKOSA-N	1	0	304.390	2.332	50	10		DECARO
C[NH+](C)Cc1ccc(CNC(=O)c2ccc(O)c(O)c2)cc1F	ZINC000097050730	402103350	/nfs/dbraw/zinc/10/33/50/402103350.db2.gz	OQDMCXDGWJNQIH-UHFFFAOYSA-N	1	0	318.348	2.229	50	10		DECARO
COc1cccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1O	ZINC000001408256	278022587	/nfs/dbraw/zinc/02/25/87/278022587.db2.gz	RCEVEHXPTRNDTP-AWEZNQCLSA-N	1	0	309.329	2.247	50	10		DECARO
OC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1	ZINC000066991689	134832393	/nfs/dbraw/zinc/83/23/93/134832393.db2.gz	DAWWEOFAXSCBEF-UHFFFAOYSA-N	1	0	322.424	2.447	50	10		DECARO
CCCC[N+]1=C2SCCCN2C[C@@]1(O)c1ccc(OC)cc1	ZINC000003280985	401724287	/nfs/dbraw/zinc/72/42/87/401724287.db2.gz	IREHVHSBJLUJJX-QGZVFWFLSA-N	1	0	321.466	2.461	50	10		DECARO
Cn1cc([C@H]2OCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000089755308	355542575	/nfs/dbraw/zinc/54/25/75/355542575.db2.gz	WBAQSRNLYPCBRO-YJBOKZPZSA-N	1	0	313.401	2.222	50	10		DECARO
CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccccc1O	ZINC000156722296	197136114	/nfs/dbraw/zinc/13/61/14/197136114.db2.gz	UUZHJPRHPAOBBY-GXTWGEPZSA-N	1	0	316.405	2.186	50	10		DECARO
CCCOC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3	ZINC000006737153	181379857	/nfs/dbraw/zinc/37/98/57/181379857.db2.gz	TXEUCEBHGMUAAF-UHFFFAOYSA-N	1	0	305.403	2.433	50	10		DECARO
CCN1CCC[C@H]1C[NH2+]Cc1cc(-c2cncnc2)ccc1O	ZINC000299787140	403575566	/nfs/dbraw/zinc/57/55/66/403575566.db2.gz	ZKVJFZKCUGRZHI-KRWDZBQOSA-N	1	0	312.417	2.423	50	10		DECARO
Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1	ZINC000132522719	196262419	/nfs/dbraw/zinc/26/24/19/196262419.db2.gz	MVEDPJRIMUHXNW-AWEZNQCLSA-N	1	0	301.365	2.406	50	10		DECARO
Cc1cnc(C)c(-c2ccc(O)c(C[N@@H+]3CCC[C@@H](O)C3)c2)n1	ZINC000019114294	182105324	/nfs/dbraw/zinc/10/53/24/182105324.db2.gz	DASULEXIUPVVSR-MRXNPFEDSA-N	1	0	313.401	2.423	50	10		DECARO
CCN(CC)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)cc1	ZINC000065506548	184356967	/nfs/dbraw/zinc/35/69/67/184356967.db2.gz	OAKGONGKUWLYLU-SJORKVTESA-N	1	0	301.434	2.386	50	10		DECARO
Oc1ccc(Br)cc1C[NH2+]CCNc1ncccn1	ZINC000078394152	401849747	/nfs/dbraw/zinc/84/97/47/401849747.db2.gz	OQLKURNKLTWDSS-UHFFFAOYSA-N	1	0	323.194	2.146	50	10		DECARO
CCOCc1cc(C[NH+]2CCN(C)CC2)c(O)c2ncccc12	ZINC000021167846	182268114	/nfs/dbraw/zinc/26/81/14/182268114.db2.gz	NOYJZIIMKZIQSO-UHFFFAOYSA-N	1	0	315.417	2.224	50	10		DECARO
COc1c(C[NH2+]Cc2ccc3c(c2)CCCN3C)c(C)nn1C	ZINC000058331262	184106608	/nfs/dbraw/zinc/10/66/08/184106608.db2.gz	IJFLFPNMSBROBZ-UHFFFAOYSA-N	1	0	314.433	2.409	50	10		DECARO
CN1CCc2cc([C@H](CNC(=O)C3CC3)[NH+]3CCCC3)ccc21	ZINC000008963280	401758234	/nfs/dbraw/zinc/75/82/34/401758234.db2.gz	OSLFOSSNWNAEKG-SFHVURJKSA-N	1	0	313.445	2.342	50	10		DECARO
CC(C)[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO	ZINC000020452315	683858543	/nfs/dbraw/zinc/85/85/43/683858543.db2.gz	BFVHJOGMSZHNBT-HNNXBMFYSA-N	1	0	312.841	2.323	50	10		DECARO
CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1	ZINC000089983568	185274235	/nfs/dbraw/zinc/27/42/35/185274235.db2.gz	CVGLKAHNDJUTCO-ZDUSSCGKSA-N	1	0	307.390	2.484	50	10		DECARO
CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000065473739	184351367	/nfs/dbraw/zinc/35/13/67/184351367.db2.gz	VORQUCYYPFSHSE-OAHLLOKOSA-N	1	0	312.417	2.441	50	10		DECARO
CC(=O)N1c2ccccc2[C@]2(O)[C@H]1SC1=[N+]2CCCCC1	ZINC000000479933	401698905	/nfs/dbraw/zinc/69/89/05/401698905.db2.gz	INCGYHPVJAEXLI-CVEARBPZSA-N	1	0	303.407	2.256	50	10		DECARO
C[NH+]1CCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)CC1	ZINC000049740638	262541217	/nfs/dbraw/zinc/54/12/17/262541217.db2.gz	XCFZXJUFKAFDLK-UHFFFAOYSA-N	1	0	323.440	2.297	50	10		DECARO
CC[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1O	ZINC000157029759	197156413	/nfs/dbraw/zinc/15/64/13/197156413.db2.gz	YRHARCRSXURZOW-DUVNUKRYSA-N	1	0	306.406	2.069	50	10		DECARO
CC[C@@H]([NH2+][C@H](CC)c1ccccc1O)C(=O)N1CCOCC1	ZINC000156281770	197100845	/nfs/dbraw/zinc/10/08/45/197100845.db2.gz	PAMWLEVGISPLRR-HUUCEWRRSA-N	1	0	306.406	2.070	50	10		DECARO
C[NH+]1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1	ZINC000071702239	191009332	/nfs/dbraw/zinc/00/93/32/191009332.db2.gz	GNPWLFHOGGEZQW-UHFFFAOYSA-N	1	0	305.422	2.463	50	10		DECARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)[NH+](C)C)cc1	ZINC000005097800	181202926	/nfs/dbraw/zinc/20/29/26/181202926.db2.gz	NUXXSZWQOSZSDA-OAHLLOKOSA-N	1	0	301.390	2.378	50	10		DECARO
Oc1ccc2ccncc2c1C[NH+]1CCN(c2cnccn2)CC1	ZINC000012979411	401794600	/nfs/dbraw/zinc/79/46/00/401794600.db2.gz	RGPNFGSFFGLMRG-UHFFFAOYSA-N	1	0	321.384	2.053	50	10		DECARO
CCC(O)(CC)C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000066991120	402150045	/nfs/dbraw/zinc/15/00/45/402150045.db2.gz	HWYUJZSXUJPLNT-UHFFFAOYSA-N	1	0	310.413	2.303	50	10		DECARO
CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000069897625	402249465	/nfs/dbraw/zinc/24/94/65/402249465.db2.gz	XAFPRBGKKDUYCY-OAHLLOKOSA-N	1	0	312.417	2.441	50	10		DECARO
C[N@@H+]1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000072117694	191038508	/nfs/dbraw/zinc/03/85/08/191038508.db2.gz	SQOIXSXAQXHEQR-MRXNPFEDSA-N	1	0	301.434	2.245	50	10		DECARO
Cn1cc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000089755315	355542604	/nfs/dbraw/zinc/54/26/04/355542604.db2.gz	WBAQSRNLYPCBRO-CRAIPNDOSA-N	1	0	313.401	2.222	50	10		DECARO
CC(C)CC[N@@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO	ZINC000104538701	194014720	/nfs/dbraw/zinc/01/47/20/194014720.db2.gz	CWHJHOGMNUMNRS-QGZVFWFLSA-N	1	0	306.450	2.307	50	10		DECARO
Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nn1	ZINC000069926764	402252076	/nfs/dbraw/zinc/25/20/76/402252076.db2.gz	LXOSBEYVNPICFA-KRWDZBQOSA-N	1	0	324.428	2.479	50	10		DECARO
C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000078898028	355284099	/nfs/dbraw/zinc/28/40/99/355284099.db2.gz	XSMUKCWOTJELQR-GUYCJALGSA-N	1	0	314.429	2.358	50	10		DECARO
CN1CCCc2cc(C[NH2+]C[C@H]3CNc4ccnn4C3)ccc21	ZINC000058308833	184103894	/nfs/dbraw/zinc/10/38/94/184103894.db2.gz	UMPBXADGUNVZJN-HNNXBMFYSA-N	1	0	311.433	2.097	50	10		DECARO
CC(=O)N1c2ccccc2[C@@]2(O)[C@@H]1SC1=[N+]2CCCCC1	ZINC000000479934	401698896	/nfs/dbraw/zinc/69/88/96/401698896.db2.gz	INCGYHPVJAEXLI-JKSUJKDBSA-N	1	0	303.407	2.256	50	10		DECARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3)cc2)CC1	ZINC000049740618	402021277	/nfs/dbraw/zinc/02/12/77/402021277.db2.gz	MVUYPXVCSIJEBH-UHFFFAOYSA-N	1	0	309.413	2.368	50	10		DECARO
COc1cccc(C[NH+]2CCN(c3ncccc3C)CC2)c1O	ZINC000065527744	402125298	/nfs/dbraw/zinc/12/52/98/402125298.db2.gz	PVZNVOLRWQCKLO-UHFFFAOYSA-N	1	0	313.401	2.426	50	10		DECARO
COC1(OC)CCOC[C@@H]1CC[NH2+]Cc1ccc2c(c1)CCO2	ZINC000952993502	792855026	/nfs/dbraw/zinc/85/50/26/792855026.db2.gz	YNDICRGVIZHUFU-INIZCTEOSA-N	1	0	321.417	2.127	50	10		DECARO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1	ZINC000089983566	185274588	/nfs/dbraw/zinc/27/45/88/185274588.db2.gz	CVGLKAHNDJUTCO-CYBMUJFWSA-N	1	0	307.390	2.484	50	10		DECARO
Cc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1N(C)C	ZINC000097230257	355703215	/nfs/dbraw/zinc/70/32/15/355703215.db2.gz	KDHSCZJJWRQFAY-OAHLLOKOSA-N	1	0	321.490	2.115	50	10		DECARO
OCC[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1C1CCCC1	ZINC000023360319	182358057	/nfs/dbraw/zinc/35/80/57/182358057.db2.gz	GZBOLFXVYZYZTI-KRWDZBQOSA-N	1	0	304.434	2.203	50	10		DECARO
CN1CCc2cc([C@@H](CNC(=O)C3CC3)[NH+]3CCCC3)ccc21	ZINC000008963279	401758291	/nfs/dbraw/zinc/75/82/91/401758291.db2.gz	OSLFOSSNWNAEKG-GOSISDBHSA-N	1	0	313.445	2.342	50	10		DECARO
Cc1ccoc1C(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1	ZINC000095971562	402038934	/nfs/dbraw/zinc/03/89/34/402038934.db2.gz	VZVDSOYOASZEIO-UHFFFAOYSA-N	1	0	317.364	2.067	50	10		DECARO
CCOC(=O)c1nnn(-c2ccc(C)cc2)c1-c1cc[n+](C)cc1	ZINC000098211223	402139364	/nfs/dbraw/zinc/13/93/64/402139364.db2.gz	XBONDFWKVWEAEF-UHFFFAOYSA-N	1	0	323.376	2.244	50	10		DECARO
COc1cc(Br)cc(C[N@@H+]2CCC[C@H](O)C2)c1O	ZINC000023281727	354058661	/nfs/dbraw/zinc/05/86/61/354058661.db2.gz	ZOVHCYNWJLRZTL-NSHDSACASA-N	1	0	316.195	2.120	50	10		DECARO
CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O	ZINC000004516923	181118938	/nfs/dbraw/zinc/11/89/38/181118938.db2.gz	LLLNKTBEFVCDFM-XNTDXEJSSA-N	1	0	310.357	2.402	50	10		DECARO
COc1ccc(N2CCC([NH2+]Cc3nonc3C)CC2)cc1	ZINC000584891895	357328051	/nfs/dbraw/zinc/32/80/51/357328051.db2.gz	WFUKREPUZNSTPG-UHFFFAOYSA-N	1	0	302.378	2.145	50	10		DECARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1	ZINC000022853450	182337311	/nfs/dbraw/zinc/33/73/11/182337311.db2.gz	LUNPGGYLJJSZJV-HNNXBMFYSA-N	1	0	310.825	2.342	50	10		DECARO
Oc1ccc2ccncc2c1C[NH+]1CCC2(CC1)OCCO2	ZINC000026611233	401841512	/nfs/dbraw/zinc/84/15/12/401841512.db2.gz	NCLHLYDPQSAXPJ-UHFFFAOYSA-N	1	0	300.358	2.279	50	10		DECARO
Cn1cc([C@H]2OCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000089755312	355542441	/nfs/dbraw/zinc/54/24/41/355542441.db2.gz	WBAQSRNLYPCBRO-QAPCUYQASA-N	1	0	313.401	2.222	50	10		DECARO
C[NH+]1CCN(c2ccc(CNC(=O)C3CCCC3)cc2)CC1	ZINC000049740615	402020853	/nfs/dbraw/zinc/02/08/53/402020853.db2.gz	YRMQPJJGDCSDSD-UHFFFAOYSA-N	1	0	301.434	2.245	50	10		DECARO
CCc1c(C)[nH+]c(N)nc1NCCSCc1[nH]cnc1C	ZINC000095363744	402028491	/nfs/dbraw/zinc/02/84/91/402028491.db2.gz	ZGHXSOHEJFQFMV-UHFFFAOYSA-N	1	0	306.439	2.306	50	10		DECARO
Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1	ZINC000065463740	402125332	/nfs/dbraw/zinc/12/53/32/402125332.db2.gz	BFRBWTPHYFTEQA-ZDUSSCGKSA-N	1	0	300.406	2.406	50	10		DECARO
OC1CCN(c2ccc(C[NH2+]Cc3ccccn3)cc2F)CC1	ZINC000071825305	402283435	/nfs/dbraw/zinc/28/34/35/402283435.db2.gz	ADNMSZPGQPLKJC-UHFFFAOYSA-N	1	0	315.392	2.472	50	10		DECARO
COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O	ZINC000023281725	354058158	/nfs/dbraw/zinc/05/81/58/354058158.db2.gz	ZOVHCYNWJLRZTL-LLVKDONJSA-N	1	0	316.195	2.120	50	10		DECARO
Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000065473762	184351186	/nfs/dbraw/zinc/35/11/86/184351186.db2.gz	JRYNXKXJBCSAFS-UHFFFAOYSA-N	1	0	318.396	2.292	50	10		DECARO
CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccccc1O	ZINC000156722029	197136106	/nfs/dbraw/zinc/13/61/06/197136106.db2.gz	UUZHJPRHPAOBBY-TZMCWYRMSA-N	1	0	316.405	2.186	50	10		DECARO
C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000069372213	402220796	/nfs/dbraw/zinc/22/07/96/402220796.db2.gz	ADWKQBLANOPAPR-AWEZNQCLSA-N	1	0	318.396	2.037	50	10		DECARO
CC[C@H]([NH2+][C@@H](CC)c1ccccc1O)C(=O)N1CCOCC1	ZINC000156281426	197101318	/nfs/dbraw/zinc/10/13/18/197101318.db2.gz	PAMWLEVGISPLRR-GJZGRUSLSA-N	1	0	306.406	2.070	50	10		DECARO
CC(=O)N1c2ccccc2[C@]2(O)[C@@H]1SC1=[N+]2CCCCC1	ZINC000000479932	401699254	/nfs/dbraw/zinc/69/92/54/401699254.db2.gz	INCGYHPVJAEXLI-HOTGVXAUSA-N	1	0	303.407	2.256	50	10		DECARO
COc1cccc(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1O	ZINC000071794526	402278067	/nfs/dbraw/zinc/27/80/67/402278067.db2.gz	NDEIXTCIMOHIFV-CYBMUJFWSA-N	1	0	321.421	2.074	50	10		DECARO
CC(C)[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO	ZINC000828747045	783849092	/nfs/dbraw/zinc/84/90/92/783849092.db2.gz	BFVHJOGMSZHNBT-OAHLLOKOSA-N	1	0	312.841	2.323	50	10		DECARO
NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]C3CCCC3)cc2)C1	ZINC000054179157	402063688	/nfs/dbraw/zinc/06/36/88/402063688.db2.gz	OIYDKIDYINPXRA-HNNXBMFYSA-N	1	0	301.434	2.421	50	10		DECARO
CC[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1O	ZINC000248588722	402597368	/nfs/dbraw/zinc/59/73/68/402597368.db2.gz	YRHARCRSXURZOW-INWMFGNUSA-N	1	0	306.406	2.069	50	10		DECARO
c1cnn(-c2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)c1	ZINC000044978971	424815334	/nfs/dbraw/zinc/81/53/34/424815334.db2.gz	PSACWZNQBKCOIP-UHFFFAOYSA-N	1	0	306.369	2.492	50	10		DECARO
C[N@@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	ZINC000072117693	191038741	/nfs/dbraw/zinc/03/87/41/191038741.db2.gz	SQOIXSXAQXHEQR-INIZCTEOSA-N	1	0	301.434	2.245	50	10		DECARO
Cn1c2cc(-c3cccnc3)c(O)cc2c(C(N)=O)c1C[NH+](C)C	ZINC000075567744	401762749	/nfs/dbraw/zinc/76/27/49/401762749.db2.gz	GIGJXMPAGHUKRF-UHFFFAOYSA-N	1	0	324.384	2.106	50	10		DECARO
C[NH+]1CCN(c2ccc(CNC(=O)c3cccs3)cc2)CC1	ZINC000049740617	402021432	/nfs/dbraw/zinc/02/14/32/402021432.db2.gz	PXEFQRATJLPXQW-UHFFFAOYSA-N	1	0	315.442	2.430	50	10		DECARO
CN(C)c1ccc(/C=C\C(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000096248625	402074066	/nfs/dbraw/zinc/07/40/66/402074066.db2.gz	ACLUFDJWNIZBLB-YFHOEESVSA-N	1	0	301.434	2.318	50	10		DECARO
N#[N+]CC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1	ZINC000016034542	534973654	/nfs/dbraw/zinc/97/36/54/534973654.db2.gz	MNBHSGKOGWFIOP-HNNXBMFYSA-N	1	0	308.341	2.289	50	10		DECARO
COc1cc(Br)cc(CN(C)CC[NH+](C)C)c1O	ZINC000019632741	683858602	/nfs/dbraw/zinc/85/86/02/683858602.db2.gz	SCHHUTYPGYHNHE-UHFFFAOYSA-N	1	0	317.227	2.157	50	10		DECARO
Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1	ZINC000097160014	355702132	/nfs/dbraw/zinc/70/21/32/355702132.db2.gz	BPLKDYTVDUASFB-UHFFFAOYSA-N	1	0	318.396	2.108	50	10		DECARO
COc1ccc(N2CCC([N@H+](C)CCC3OCCO3)CC2)cc1	ZINC000195565971	356257906	/nfs/dbraw/zinc/25/79/06/356257906.db2.gz	TVHRMEJQVZLHHL-UHFFFAOYSA-N	1	0	320.433	2.359	50	10		DECARO
OC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOc2ccccc21	ZINC000225649618	186286527	/nfs/dbraw/zinc/28/65/27/186286527.db2.gz	CXKJLTVOZWRTBJ-LJQANCHMSA-N	1	0	311.381	2.381	50	10		DECARO
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000078898031	355283820	/nfs/dbraw/zinc/28/38/20/355283820.db2.gz	XSMUKCWOTJELQR-CXAGYDPISA-N	1	0	314.429	2.358	50	10		DECARO
c1cnnc(N2CCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)c1	ZINC000075132737	401751198	/nfs/dbraw/zinc/75/11/98/401751198.db2.gz	KQTRJAIXFGRXIA-INIZCTEOSA-N	1	0	310.401	2.170	50	10		DECARO
CCOc1cccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1O	ZINC000007125595	276381633	/nfs/dbraw/zinc/38/16/33/276381633.db2.gz	YWUGJACHBRMFKG-OAHLLOKOSA-N	1	0	323.356	2.237	50	10		DECARO
Cc1cnc(C)c(-c2ccc(O)c(C[N@@H+]3CCC[C@H](O)C3)c2)n1	ZINC000019114297	182105313	/nfs/dbraw/zinc/10/53/13/182105313.db2.gz	DASULEXIUPVVSR-INIZCTEOSA-N	1	0	313.401	2.423	50	10		DECARO
c1cnc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nc1	ZINC000043288592	401937730	/nfs/dbraw/zinc/93/77/30/401937730.db2.gz	WOUVIWZGZLVEFQ-MRXNPFEDSA-N	1	0	310.401	2.170	50	10		DECARO
O=C(NC1CC1)C1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1	ZINC000058343181	402100411	/nfs/dbraw/zinc/10/04/11/402100411.db2.gz	NDPUKPWNSQPZIV-UHFFFAOYSA-N	1	0	314.429	2.372	50	10		DECARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Cl)ccc2O)N1	ZINC000007126821	295210693	/nfs/dbraw/zinc/21/06/93/295210693.db2.gz	ZHMWPCZTUSWCMW-CYBMUJFWSA-N	1	0	313.748	2.492	50	10		DECARO
CCC[N@H+](CCO)Cc1cc(Br)cc(OC)c1O	ZINC000004987770	353993747	/nfs/dbraw/zinc/99/37/47/353993747.db2.gz	GJPWXBVTQTZSIE-UHFFFAOYSA-N	1	0	318.211	2.368	50	10		DECARO
O=C1N=C(N2CC[N@@H+]3CCC[C@H]3C2)S/C1=C/c1ccccc1	ZINC000020607878	296354899	/nfs/dbraw/zinc/35/48/99/296354899.db2.gz	YQRSFQXYLCBEBA-AYYGCFCKSA-N	1	0	313.426	2.437	50	10		DECARO
COc1ccc(N2CCC([NH2+]Cc3c[nH]nc3C)CC2)cc1	ZINC000078979904	185139385	/nfs/dbraw/zinc/13/93/85/185139385.db2.gz	KSZJFHHWVUUNBZ-UHFFFAOYSA-N	1	0	300.406	2.485	50	10		DECARO
OC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000023281197	182355723	/nfs/dbraw/zinc/35/57/23/182355723.db2.gz	KAEPIAULGMMCTL-SNVBAGLBSA-N	1	0	300.196	2.359	50	10		DECARO
OCC[C@@H]1CN(Cc2ccccc2O)CC[N@@H+]1C1CCCC1	ZINC000023360316	182358500	/nfs/dbraw/zinc/35/85/00/182358500.db2.gz	GZBOLFXVYZYZTI-QGZVFWFLSA-N	1	0	304.434	2.203	50	10		DECARO
OC1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1	ZINC000066969762	402148246	/nfs/dbraw/zinc/14/82/46/402148246.db2.gz	LWPUIHYLNBYFED-UHFFFAOYSA-N	1	0	308.397	2.055	50	10		DECARO
CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1ccccc1O	ZINC000248588725	402597639	/nfs/dbraw/zinc/59/76/39/402597639.db2.gz	YRHARCRSXURZOW-NOLJZWGESA-N	1	0	306.406	2.069	50	10		DECARO
C[NH+](C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)ccc1O	ZINC000082170913	185174387	/nfs/dbraw/zinc/17/43/87/185174387.db2.gz	OJPAOBHWMWWESM-HNNXBMFYSA-N	1	0	301.390	2.496	50	10		DECARO
C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000078898024	355284176	/nfs/dbraw/zinc/28/41/76/355284176.db2.gz	XSMUKCWOTJELQR-DYVFJYSZSA-N	1	0	314.429	2.358	50	10		DECARO
Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nn1	ZINC000069926769	402251602	/nfs/dbraw/zinc/25/16/02/402251602.db2.gz	LXOSBEYVNPICFA-QGZVFWFLSA-N	1	0	324.428	2.479	50	10		DECARO
N#[N+]CC(=O)C[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000004837208	534974385	/nfs/dbraw/zinc/97/43/85/534974385.db2.gz	YBJMNLJKEMVPAC-MRXNPFEDSA-N	1	0	319.320	2.284	50	10		DECARO
O[C@@H]1C[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1F	ZINC000952984789	792865031	/nfs/dbraw/zinc/86/50/31/792865031.db2.gz	ZQVKXTUNTOMXTA-QZTJIDSGSA-N	1	0	304.409	2.159	50	10		DECARO
CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000065473741	184351321	/nfs/dbraw/zinc/35/13/21/184351321.db2.gz	VORQUCYYPFSHSE-HNNXBMFYSA-N	1	0	312.417	2.441	50	10		DECARO
CC[C@@H]([NH2+][C@@H](CC)c1ccccc1O)C(=O)N1CCOCC1	ZINC000156281656	197101375	/nfs/dbraw/zinc/10/13/75/197101375.db2.gz	PAMWLEVGISPLRR-LSDHHAIUSA-N	1	0	306.406	2.070	50	10		DECARO
C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162626	402113331	/nfs/dbraw/zinc/11/33/31/402113331.db2.gz	XMXTUUKHHMRBEY-INIZCTEOSA-N	1	0	321.440	2.094	50	10		DECARO
CN(C)c1ccc(/C=C/C(=O)N(C)C2CC[NH+](C)CC2)cc1	ZINC000069417024	402222136	/nfs/dbraw/zinc/22/21/36/402222136.db2.gz	ACLUFDJWNIZBLB-JXMROGBWSA-N	1	0	301.434	2.318	50	10		DECARO
Cc1n(C)c2c([n+]1-c1ccccc1)C(=O)c1ccccc1C2=O	ZINC000016955003	281762390	/nfs/dbraw/zinc/76/23/90/281762390.db2.gz	VHQGWTWQTHTGRF-UHFFFAOYSA-N	1	0	303.341	2.386	50	10		DECARO
O=C(NCC1CC1)C1([NH2+]Cc2cc(F)ccc2O)CCCC1	ZINC000154569572	355942878	/nfs/dbraw/zinc/94/28/78/355942878.db2.gz	RIKNUVYGKIAGIQ-UHFFFAOYSA-N	1	0	306.381	2.460	50	10		DECARO
OC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1	ZINC000023281199	182355426	/nfs/dbraw/zinc/35/54/26/182355426.db2.gz	KAEPIAULGMMCTL-JTQLQIEISA-N	1	0	300.196	2.359	50	10		DECARO
CC(C)N1CCc2cc(C[N@@H+]3CCC[C@H](C(N)=O)C3)ccc21	ZINC000006306609	635488202	/nfs/dbraw/zinc/48/82/02/635488202.db2.gz	SLZGCZRAIAGKSA-INIZCTEOSA-N	1	0	301.434	2.155	50	10		DECARO
CN1CCO[C@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1	ZINC000075584174	355095097	/nfs/dbraw/zinc/09/50/97/355095097.db2.gz	FWOUSJHFVVPUNY-GOSISDBHSA-N	1	0	303.450	2.097	50	10		DECARO
COc1ccc2ccc(O)c(C[NH+]3CCN(C(C)=O)CC3)c2c1	ZINC000016077752	182032070	/nfs/dbraw/zinc/03/20/70/182032070.db2.gz	YBKHAOQBKOHRLQ-UHFFFAOYSA-N	1	0	314.385	2.218	50	10		DECARO
CC(C)CC[N@@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO	ZINC000023374030	182358787	/nfs/dbraw/zinc/35/87/87/182358787.db2.gz	CWHJHOGMNUMNRS-KRWDZBQOSA-N	1	0	306.450	2.307	50	10		DECARO
NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3cccnc3)cc2)C1	ZINC000054179196	402063815	/nfs/dbraw/zinc/06/38/15/402063815.db2.gz	MTMBPNQFEVKYJI-QGZVFWFLSA-N	1	0	324.428	2.073	50	10		DECARO
C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1	ZINC000069372218	402220656	/nfs/dbraw/zinc/22/06/56/402220656.db2.gz	ADWKQBLANOPAPR-CQSZACIVSA-N	1	0	318.396	2.037	50	10		DECARO
Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)c(C)n1-c1ccc(F)cc1	ZINC000132522888	196262777	/nfs/dbraw/zinc/26/27/77/196262777.db2.gz	MVEDPJRIMUHXNW-CQSZACIVSA-N	1	0	301.365	2.406	50	10		DECARO
CC(C)N1CCc2cc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc21	ZINC000016266238	683853752	/nfs/dbraw/zinc/85/37/52/683853752.db2.gz	SLZGCZRAIAGKSA-MRXNPFEDSA-N	1	0	301.434	2.155	50	10		DECARO
C[NH+](C)Cc1cc(-c2nccn2CCn2cccn2)ccc1O	ZINC000071752544	191023518	/nfs/dbraw/zinc/02/35/18/191023518.db2.gz	OVKVNDKBLWGPOE-UHFFFAOYSA-N	1	0	311.389	2.214	50	10		DECARO
Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)OCO2	ZINC000003570052	181036491	/nfs/dbraw/zinc/03/64/91/181036491.db2.gz	GPOVXGHECNCLEZ-UHFFFAOYSA-N	1	0	312.369	2.443	50	10		DECARO
O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)c1ccsc1	ZINC000195542859	356256230	/nfs/dbraw/zinc/25/62/30/356256230.db2.gz	SYEXDXSIVCEYNR-UHFFFAOYSA-N	1	0	319.405	2.227	50	10		DECARO
CCN1CCC[C@@H]1C[NH2+]Cc1cc(-c2cncnc2)ccc1O	ZINC000299787147	403576020	/nfs/dbraw/zinc/57/60/20/403576020.db2.gz	ZKVJFZKCUGRZHI-QGZVFWFLSA-N	1	0	312.417	2.423	50	10		DECARO
CC[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1O	ZINC000157030056	197156845	/nfs/dbraw/zinc/15/68/45/197156845.db2.gz	YRHARCRSXURZOW-IVMMDQJWSA-N	1	0	306.406	2.069	50	10		DECARO
Cc1ccc(C)n1-c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000003893953	401724752	/nfs/dbraw/zinc/72/47/52/401724752.db2.gz	NNIMUEKQBANQMW-UHFFFAOYSA-N	1	0	300.362	2.412	50	10		DECARO
CCOC(=O)N1CC[NH+](Cc2c(O)ccc3ccncc32)CC1	ZINC000014250354	401810668	/nfs/dbraw/zinc/81/06/68/401810668.db2.gz	KYWQVOZVDODJPD-UHFFFAOYSA-N	1	0	315.373	2.215	50	10		DECARO
CCOCCCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000004672314	181134789	/nfs/dbraw/zinc/13/47/89/181134789.db2.gz	MAEXQDXTYQFIDU-UHFFFAOYSA-N	1	0	320.433	2.147	50	10		DECARO
CCOc1ccc(O)c([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1	ZINC000009609916	401763905	/nfs/dbraw/zinc/76/39/05/401763905.db2.gz	PGIFCNWTSQQGKA-HNNXBMFYSA-N	1	0	323.356	2.237	50	10		DECARO
c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(N3CCCCC3)cc1)CC2	ZINC000069600132	402233555	/nfs/dbraw/zinc/23/35/55/402233555.db2.gz	FVUFOBSQYGAACV-MRXNPFEDSA-N	1	0	311.433	2.373	50	10		DECARO
CN1CCCc2cc(C[NH2+]C[C@@H]3CNc4ccnn4C3)ccc21	ZINC000058308830	184103834	/nfs/dbraw/zinc/10/38/34/184103834.db2.gz	UMPBXADGUNVZJN-OAHLLOKOSA-N	1	0	311.433	2.097	50	10		DECARO
CC(C)(C)OC(=O)N1CCN(c2ccc(C[NH3+])cc2F)CC1	ZINC000039947551	401924101	/nfs/dbraw/zinc/92/41/01/401924101.db2.gz	RKPOSFCQCMOLPM-UHFFFAOYSA-N	1	0	309.385	2.342	50	10		DECARO
COc1ccc(N2CCC([N@H+](C)[C@@H](C)C(=O)N(C)C)CC2)cc1	ZINC000065531363	274113252	/nfs/dbraw/zinc/11/32/52/274113252.db2.gz	OMLXJDKUADOWAB-AWEZNQCLSA-N	1	0	319.449	2.073	50	10		DECARO
Nc1ccc(-[n+]2ccccc2)c2c1C(=O)c1ccccc1C2=O	ZINC000004728974	274964579	/nfs/dbraw/zinc/96/45/79/274964579.db2.gz	BRKNAQUKBKAXKT-UHFFFAOYSA-O	1	0	301.325	2.321	50	10		DECARO
COc1cccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1O	ZINC000001408257	278020774	/nfs/dbraw/zinc/02/07/74/278020774.db2.gz	RCEVEHXPTRNDTP-CQSZACIVSA-N	1	0	309.329	2.247	50	10		DECARO
COC(=O)c1cc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)cn1C	ZINC000408516965	533825398	/nfs/dbraw/zinc/82/53/98/533825398.db2.gz	AUZBWPLJCYHZRO-NSHDSACASA-N	1	0	318.373	2.377	50	10		DECARO
CO[C@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1	ZINC000824506719	783597206	/nfs/dbraw/zinc/59/72/06/783597206.db2.gz	OKHRZEUFCZRFTK-OALUTQOASA-N	1	0	316.445	2.148	50	10		DECARO
Cc1cc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)ccc1N(C)C	ZINC000097230259	355703095	/nfs/dbraw/zinc/70/30/95/355703095.db2.gz	KDHSCZJJWRQFAY-HNNXBMFYSA-N	1	0	321.490	2.115	50	10		DECARO
c1cnc(N2CCC([NH2+]Cc3ccc4c(c3)CCO4)CC2)nc1	ZINC000043288551	183351344	/nfs/dbraw/zinc/35/13/44/183351344.db2.gz	LAGMQHIADDLQED-UHFFFAOYSA-N	1	0	310.401	2.170	50	10		DECARO
CCc1nnc2n1C[C@@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000069810431	402244931	/nfs/dbraw/zinc/24/49/31/402244931.db2.gz	OZERKOKVBBVINW-CQSZACIVSA-N	1	0	312.417	2.128	50	10		DECARO
CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000069897629	402249872	/nfs/dbraw/zinc/24/98/72/402249872.db2.gz	XAFPRBGKKDUYCY-HNNXBMFYSA-N	1	0	312.417	2.441	50	10		DECARO
CN(Cc1ccccc1O)C(=O)NC1CC[NH+](C2CC2)CC1	ZINC000045410044	401957282	/nfs/dbraw/zinc/95/72/82/401957282.db2.gz	WWEJHGSTUUNRGS-UHFFFAOYSA-N	1	0	303.406	2.160	50	10		DECARO
CC[C@@H]([NH2+][C@@H](CC)C(=O)N1CCOCC1)c1ccccc1O	ZINC000156281545	402279531	/nfs/dbraw/zinc/27/95/31/402279531.db2.gz	PAMWLEVGISPLRR-CABCVRRESA-N	1	0	306.406	2.070	50	10		DECARO
CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1	ZINC000534650512	334311732	/nfs/dbraw/zinc/31/17/32/334311732.db2.gz	VAGPBJSMQZUPQR-HNNXBMFYSA-N	1	0	304.390	2.332	50	10		DECARO
CCc1cccc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)c1O	ZINC000585091328	789693987	/nfs/dbraw/zinc/69/39/87/789693987.db2.gz	LLYRMPCOOMGMSD-HNNXBMFYSA-N	1	0	316.405	2.135	50	10		DECARO
COc1cccc(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1O	ZINC000071794527	402278060	/nfs/dbraw/zinc/27/80/60/402278060.db2.gz	NDEIXTCIMOHIFV-ZDUSSCGKSA-N	1	0	321.421	2.074	50	10		DECARO
NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3)cc2)C1	ZINC000071817038	402280509	/nfs/dbraw/zinc/28/05/09/402280509.db2.gz	MGWSVXDIABYIIU-QGZVFWFLSA-N	1	0	324.428	2.073	50	10		DECARO
COC1(OC)CCOC[C@H]1CC[NH2+]Cc1ccc2c(c1)CCO2	ZINC000952993504	792854111	/nfs/dbraw/zinc/85/41/11/792854111.db2.gz	YNDICRGVIZHUFU-MRXNPFEDSA-N	1	0	321.417	2.127	50	10		DECARO
COc1ccc2ccc(O)c(C[NH+]3CCC(C(N)=O)CC3)c2c1	ZINC000023381983	182359529	/nfs/dbraw/zinc/35/95/29/182359529.db2.gz	GIGGXJMCDSXYOR-UHFFFAOYSA-N	1	0	314.385	2.251	50	10		DECARO
C[NH2+]Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1	ZINC000004277319	401726140	/nfs/dbraw/zinc/72/61/40/401726140.db2.gz	VERAVZPFPZKVCT-UHFFFAOYSA-N	1	0	305.422	2.463	50	10		DECARO
C[C@H]([NH2+]Cc1cncn1C)c1ccc(N2CCOCC2)cc1	ZINC000237519668	202269324	/nfs/dbraw/zinc/26/93/24/202269324.db2.gz	YBHUPJMXFNOFHB-AWEZNQCLSA-N	1	0	300.406	2.108	50	10		DECARO
CCOc1cccc(C[NH2+]CCC(=O)NC2CCCC2)c1O	ZINC000075126687	401750422	/nfs/dbraw/zinc/75/04/22/401750422.db2.gz	IZJANHIRMNVSBW-UHFFFAOYSA-N	1	0	306.406	2.329	50	10		DECARO
Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1	ZINC000065463743	402125723	/nfs/dbraw/zinc/12/57/23/402125723.db2.gz	BFRBWTPHYFTEQA-CYBMUJFWSA-N	1	0	300.406	2.406	50	10		DECARO
c1cc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)no1	ZINC000952969955	792825277	/nfs/dbraw/zinc/82/52/77/792825277.db2.gz	HLQBDIXLDNKODQ-UHFFFAOYSA-N	1	0	301.346	2.162	50	10		DECARO
Cc1n[nH]cc1C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1	ZINC000097160016	355702378	/nfs/dbraw/zinc/70/23/78/355702378.db2.gz	JXLLXMGPWSYDTG-UHFFFAOYSA-N	1	0	314.433	2.217	50	10		DECARO
CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccccc1O	ZINC000156722172	197135996	/nfs/dbraw/zinc/13/59/96/197135996.db2.gz	UUZHJPRHPAOBBY-JSGCOSHPSA-N	1	0	316.405	2.186	50	10		DECARO
NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccncc3)cc2)C1	ZINC000071817037	402280519	/nfs/dbraw/zinc/28/05/19/402280519.db2.gz	MGWSVXDIABYIIU-KRWDZBQOSA-N	1	0	324.428	2.073	50	10		DECARO
COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@H]3C(N)=O)c2c1	ZINC000009913895	401766880	/nfs/dbraw/zinc/76/68/80/401766880.db2.gz	OHJSCHWDBKYKJT-MRXNPFEDSA-N	1	0	314.385	2.394	50	10		DECARO
CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)C)cc2F)CC1	ZINC000065590114	402126461	/nfs/dbraw/zinc/12/64/61/402126461.db2.gz	JJSBZFIGBHEECA-UHFFFAOYSA-N	1	0	322.428	2.175	50	10		DECARO
CN(C(=O)Cc1ccc(N)cc1)[C@@H]1C[C@@H]2C[C@H]([NH+](C)C)C[C@@H]2C1	ZINC001529182000	1070906499	/nfs/dbraw/zinc/90/64/99/1070906499.db2.gz	SMVJHPPVTFGGSX-LVYXFOGZSA-N	1	0	315.461	2.389	50	10		DECARO
CN(C)c1ccc(CNCC[NH2+][C@H]2CCOC(C)(C)C2)cc1	ZINC000020676664	182242675	/nfs/dbraw/zinc/24/26/75/182242675.db2.gz	WPIQFWRPJWBNMR-INIZCTEOSA-N	1	0	305.466	2.389	50	10		DECARO
O=C1COc2ccc(N3CC[NH2+]CC3)cc2N1Cc1ccccc1	ZINC000031947243	134680148	/nfs/dbraw/zinc/68/01/48/134680148.db2.gz	CEIPWBVUXKCWEX-UHFFFAOYSA-N	1	0	323.396	2.022	50	10		DECARO
CCOc1cccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1O	ZINC000007125605	401736840	/nfs/dbraw/zinc/73/68/40/401736840.db2.gz	YWUGJACHBRMFKG-HNNXBMFYSA-N	1	0	323.356	2.237	50	10		DECARO
CC(C)OCCC[NH2+]Cc1cc(=O)oc2cc(O)c(O)cc12	ZINC000008723763	401755752	/nfs/dbraw/zinc/75/57/52/401755752.db2.gz	GBNMNSZAYXCICJ-UHFFFAOYSA-N	1	0	307.346	2.109	50	10		DECARO
COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@H]3C(N)=O)c2c1	ZINC000009913899	401766738	/nfs/dbraw/zinc/76/67/38/401766738.db2.gz	OHJSCHWDBKYKJT-INIZCTEOSA-N	1	0	314.385	2.394	50	10		DECARO
c1cnc(N2CCC[C@H]([NH2+]Cc3ccc4c(c3)CCO4)C2)nc1	ZINC000043288590	401937827	/nfs/dbraw/zinc/93/78/27/401937827.db2.gz	WOUVIWZGZLVEFQ-INIZCTEOSA-N	1	0	310.401	2.170	50	10		DECARO
CCc1nnc2n1C[C@H](C[NH2+]Cc1ccc3c(c1)CCO3)CC2	ZINC000069810429	402244921	/nfs/dbraw/zinc/24/49/21/402244921.db2.gz	OZERKOKVBBVINW-AWEZNQCLSA-N	1	0	312.417	2.128	50	10		DECARO
Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(C)n1-c1cccc(F)c1	ZINC000237708582	202333440	/nfs/dbraw/zinc/33/34/40/202333440.db2.gz	BBKINRJSNLVLNI-AWEZNQCLSA-N	1	0	301.365	2.406	50	10		DECARO
O=C(C1CC1)N1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1	ZINC000043288603	183351107	/nfs/dbraw/zinc/35/11/07/183351107.db2.gz	PSSFOEIZELWXAQ-UHFFFAOYSA-N	1	0	300.402	2.112	50	10		DECARO
c1cnnc(N2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)CCO3)c1	ZINC000075132734	401751177	/nfs/dbraw/zinc/75/11/77/401751177.db2.gz	KQTRJAIXFGRXIA-MRXNPFEDSA-N	1	0	310.401	2.170	50	10		DECARO
CCOc1ccc(O)c([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c1	ZINC000009609914	276375255	/nfs/dbraw/zinc/37/52/55/276375255.db2.gz	PGIFCNWTSQQGKA-OAHLLOKOSA-N	1	0	323.356	2.237	50	10		DECARO
COc1cccc(-c2ccc(O)c(C[NH+]3CCC(O)CC3)c2)n1	ZINC000019537625	683858809	/nfs/dbraw/zinc/85/88/09/683858809.db2.gz	DZVYXNVZNZGLHE-UHFFFAOYSA-N	1	0	314.385	2.420	50	10		DECARO
CN(C)c1ccc(CNCC[NH2+][C@@H]2CCOC(C)(C)C2)cc1	ZINC000020676659	182242757	/nfs/dbraw/zinc/24/27/57/182242757.db2.gz	WPIQFWRPJWBNMR-MRXNPFEDSA-N	1	0	305.466	2.389	50	10		DECARO
N#[N+]CC(=O)C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O	ZINC000004837209	181160071	/nfs/dbraw/zinc/16/00/71/181160071.db2.gz	YBJMNLJKEMVPAC-INIZCTEOSA-N	1	0	319.320	2.284	50	10		DECARO
NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]C3CCCC3)cc2)C1	ZINC000054179159	402063798	/nfs/dbraw/zinc/06/37/98/402063798.db2.gz	OIYDKIDYINPXRA-OAHLLOKOSA-N	1	0	301.434	2.421	50	10		DECARO
COc1ccc(N2CCN([C@@H](C[NH3+])c3ccco3)CC2)cc1	ZINC000019795781	182150864	/nfs/dbraw/zinc/15/08/64/182150864.db2.gz	KVLBJBLIMUFLET-INIZCTEOSA-N	1	0	301.390	2.110	50	10		DECARO
Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1	ZINC000095974172	280394736	/nfs/dbraw/zinc/39/47/36/280394736.db2.gz	MCJHFAFTCAKULH-KRWDZBQOSA-N	1	0	304.434	2.306	50	10		DECARO
CCC[NH+]1CCN(Cc2cc(-c3cnccn3)ccc2O)CC1	ZINC000020207553	625036246	/nfs/dbraw/zinc/03/62/46/625036246.db2.gz	RFJHDAIGLWSHMY-UHFFFAOYSA-N	1	0	312.417	2.377	50	10		DECARO
c1cc(N2CCC([NH+]3CCSCC3)CC2)cc2c1OCO2	ZINC000952964865	792813328	/nfs/dbraw/zinc/81/33/28/792813328.db2.gz	ALJIDGJZPMSGRI-UHFFFAOYSA-N	1	0	306.431	2.433	50	10		DECARO
COc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O	ZINC000004552926	181124182	/nfs/dbraw/zinc/12/41/82/181124182.db2.gz	QJMGEFNQGMGZHF-UHFFFAOYSA-N	1	0	318.417	2.235	50	10		DECARO
Cn1cc([C@@H]2OCC[C@H]2C[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000089755310	355542692	/nfs/dbraw/zinc/54/26/92/355542692.db2.gz	WBAQSRNLYPCBRO-MAUKXSAKSA-N	1	0	313.401	2.222	50	10		DECARO
Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1	ZINC000022853446	182337840	/nfs/dbraw/zinc/33/78/40/182337840.db2.gz	LUNPGGYLJJSZJV-OAHLLOKOSA-N	1	0	310.825	2.342	50	10		DECARO
CC(=O)N1c2ccccc2[C@@]2(O)[C@H]1SC1=[N+]2CCCCC1	ZINC000000479935	401699673	/nfs/dbraw/zinc/69/96/73/401699673.db2.gz	INCGYHPVJAEXLI-HZPDHXFCSA-N	1	0	303.407	2.256	50	10		DECARO
OC1(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CCOCC1	ZINC000238141604	402439321	/nfs/dbraw/zinc/43/93/21/402439321.db2.gz	QEAXSZNIYIELDD-UHFFFAOYSA-N	1	0	304.434	2.308	50	10		DECARO
CCc1cccc(C[N@@H+]2CCN(C)[C@@H](c3nc(C)no3)C2)c1O	ZINC000585091329	789694778	/nfs/dbraw/zinc/69/47/78/789694778.db2.gz	LLYRMPCOOMGMSD-OAHLLOKOSA-N	1	0	316.405	2.135	50	10		DECARO
C[C@H]1CN(C(=O)C2CC2)CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2	ZINC000078898032	355284399	/nfs/dbraw/zinc/28/43/99/355284399.db2.gz	XSMUKCWOTJELQR-SUMWQHHRSA-N	1	0	314.429	2.358	50	10		DECARO
CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccccc1O	ZINC000156721888	197135811	/nfs/dbraw/zinc/13/58/11/197135811.db2.gz	UUZHJPRHPAOBBY-OCCSQVGLSA-N	1	0	316.405	2.186	50	10		DECARO
c1cn(-c2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)cn1	ZINC000048234823	424831042	/nfs/dbraw/zinc/83/10/42/424831042.db2.gz	QJKDMLSZNJOVRI-UHFFFAOYSA-N	1	0	306.369	2.492	50	10		DECARO
OC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOc2ccccc21	ZINC000225649650	186286786	/nfs/dbraw/zinc/28/67/86/186286786.db2.gz	CXKJLTVOZWRTBJ-IBGZPJMESA-N	1	0	311.381	2.381	50	10		DECARO
CC(C)[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000009420693	401762393	/nfs/dbraw/zinc/76/23/93/401762393.db2.gz	CCURTYISGQJEOS-UHFFFAOYSA-N	1	0	322.364	2.399	50	10		DECARO
CN1CCO[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)cc2)C1	ZINC000075584175	355094877	/nfs/dbraw/zinc/09/48/77/355094877.db2.gz	FWOUSJHFVVPUNY-SFHVURJKSA-N	1	0	303.450	2.097	50	10		DECARO
CC1=NN(c2ccccc2)C(=O)C1=CNNc1nc(C)cc(C)[nH+]1	ZINC000334160281	257262549	/nfs/dbraw/zinc/26/25/49/257262549.db2.gz	AAXZOGFEXYWGHK-GDNBJRDFSA-N	1	0	322.372	2.317	50	10		DECARO
COc1ccc(N2CCC([N@@H+]3CCc4nc[nH]c4C3)CC2)cc1	ZINC000095363626	402028251	/nfs/dbraw/zinc/02/82/51/402028251.db2.gz	CLUFBZHKEZUDSK-UHFFFAOYSA-N	1	0	312.417	2.445	50	10		DECARO
COc1cccc(C[NH+]2CCC(C(=O)NC(C)C)CC2)c1O	ZINC000004725472	181142963	/nfs/dbraw/zinc/14/29/63/181142963.db2.gz	DJBVMZPWACJAIA-UHFFFAOYSA-N	1	0	306.406	2.137	50	10		DECARO
Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1	ZINC000095974171	402039813	/nfs/dbraw/zinc/03/98/13/402039813.db2.gz	MCJHFAFTCAKULH-QGZVFWFLSA-N	1	0	304.434	2.306	50	10		DECARO