smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](CCC(=O)N1CC[C@H]2[NH2+]CCCCC[C@H]21)Cc1cccnc1	ZINC000257343774	463788185	/nfs/dbraw/zinc/78/81/85/463788185.db2.gz	ZUIXIFWIYMOWGV-QZTJIDSGSA-N	2	0	330.476	2.037	40	0		EEABRP
c1ccc(CC[N@H+]2CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC2)cc1	ZINC000072372838	203209812	/nfs/dbraw/zinc/20/98/12/203209812.db2.gz	YOYLBXCPIOLNJU-KRWDZBQOSA-N	2	0	325.460	2.194	40	0		EEABRP
O[C@H]1C[N@@H+](C2CCCCC2)C[C@H]1[C@]1(O)CC[NH+](C2CCCCC2)C1	ZINC000004783193	285367512	/nfs/dbraw/zinc/36/75/12/285367512.db2.gz	OHHVXRZTKRYDRS-AABGKKOBSA-N	2	0	336.520	2.381	40	0		EEABRP
CC(C)Oc1ccc([C@H]2CN(C(=O)Cn3ccnc3)CCN2C)cc1	ZINC000257261855	463758338	/nfs/dbraw/zinc/75/83/38/463758338.db2.gz	LJAOYYMRCQURBI-GOSISDBHSA-N	2	0	342.443	2.186	40	0		EEABRP
C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H](c2ccccc2)C1	ZINC000245338968	464471482	/nfs/dbraw/zinc/47/14/82/464471482.db2.gz	PSGYVYOJTRTZGP-QHAWAJNXSA-N	3	0	342.531	2.192	40	0		EEABRP
CCO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2	ZINC000181456169	464493107	/nfs/dbraw/zinc/49/31/07/464493107.db2.gz	INUWZQHDUYOXLF-ROUUACIJSA-N	2	0	344.503	2.271	40	0		EEABRP
C[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000012195150	462847617	/nfs/dbraw/zinc/84/76/17/462847617.db2.gz	BFVSFTWBCZTGKR-GOSISDBHSA-N	2	0	333.451	2.248	40	0		EEABRP
Cc1ccc(C[NH2+][C@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)s1	ZINC000096189639	463201468	/nfs/dbraw/zinc/20/14/68/463201468.db2.gz	QBASPQPKMDNTRL-INIZCTEOSA-N	2	0	345.512	2.427	40	0		EEABRP
C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1	ZINC000096484314	463282369	/nfs/dbraw/zinc/28/23/69/463282369.db2.gz	PSGYVYOJTRTZGP-NJYVYQBISA-N	3	0	342.531	2.192	40	0		EEABRP
C[NH+](C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1	ZINC000257278700	463758469	/nfs/dbraw/zinc/75/84/69/463758469.db2.gz	ODGZTSSTKLPXHI-KYHREEPGSA-N	2	0	341.499	2.291	40	0		EEABRP
C[N@@H+]1C[C@H](COCc2cccnc2)[C@]2(CC[NH+](C3CCOCC3)C2)C1	ZINC000096215790	463213674	/nfs/dbraw/zinc/21/36/74/463213674.db2.gz	XOKQKZAQZDKOIO-UYAOXDASSA-N	2	0	345.487	2.031	40	0		EEABRP
CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1	ZINC000252476777	464957806	/nfs/dbraw/zinc/95/78/06/464957806.db2.gz	BEXBXLGHZUUJGD-OKZBNKHCSA-N	2	0	336.524	2.233	40	0		EEABRP
CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3c2OCCCO3)CC1	ZINC000078552951	202396479	/nfs/dbraw/zinc/39/64/79/202396479.db2.gz	NUOIPQHLRTWYIY-UHFFFAOYSA-N	2	0	347.503	2.211	40	0		EEABRP
CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1	ZINC000096421482	279354269	/nfs/dbraw/zinc/35/42/69/279354269.db2.gz	BEXBXLGHZUUJGD-RCCFBDPRSA-N	2	0	336.524	2.233	40	0		EEABRP
CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@H]1C	ZINC000253418333	465005875	/nfs/dbraw/zinc/00/58/75/465005875.db2.gz	JDRCZTUHLZBKII-MXNWFCGFSA-N	2	0	336.568	2.372	40	0		EEABRP
Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553283	202395900	/nfs/dbraw/zinc/39/59/00/202395900.db2.gz	VZNQOJMXJMRDAV-AWEZNQCLSA-N	2	0	331.439	2.460	40	0		EEABRP
c1ccc(CC[N@H+]2CCc3nnc([C@H]4CCCC[NH2+]4)n3CC2)cc1	ZINC000072372839	203208852	/nfs/dbraw/zinc/20/88/52/203208852.db2.gz	YOYLBXCPIOLNJU-QGZVFWFLSA-N	2	0	325.460	2.194	40	0		EEABRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2	ZINC000252585966	464984364	/nfs/dbraw/zinc/98/43/64/464984364.db2.gz	MMEZOPIAQKQLAW-KBAYOESNSA-N	2	0	346.471	2.437	40	0		EEABRP
COc1ccc(CC(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1C	ZINC000012238234	201833432	/nfs/dbraw/zinc/83/34/32/201833432.db2.gz	KWQMQYPQTJTCLH-UHFFFAOYSA-N	2	0	347.503	2.031	40	0		EEABRP
CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](Cc2cccs2)CC3)CC1	ZINC000096048839	463152781	/nfs/dbraw/zinc/15/27/81/463152781.db2.gz	ONPNBMVRPWPYMW-INIZCTEOSA-N	2	0	335.517	2.119	40	0		EEABRP
C[N@@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](C[C@@H]3CCOC3)CC[C@@H]12	ZINC000248017819	464724743	/nfs/dbraw/zinc/72/47/43/464724743.db2.gz	QSFKPQSJLWCLGO-ISARSNTHSA-N	2	0	334.460	2.085	40	0		EEABRP
CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218409284	276691663	/nfs/dbraw/zinc/69/16/63/276691663.db2.gz	CLHGLAFITPAZDJ-ZWKOTPCHSA-N	2	0	344.480	2.093	40	0		EEABRP
Cn1cc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccco4)CO3)CC2)cn1	ZINC000096048005	463152184	/nfs/dbraw/zinc/15/21/84/463152184.db2.gz	PFCMQPDUKVQWFP-QGZVFWFLSA-N	2	0	344.459	2.269	40	0		EEABRP
Cc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCN(C)CC4)CO3)CC2)s1	ZINC000096048845	463153636	/nfs/dbraw/zinc/15/36/36/463153636.db2.gz	OMSPEQSWXMTEGU-QGZVFWFLSA-N	2	0	349.544	2.427	40	0		EEABRP
[NH3+][C@@H]1CCCN(C(=O)C[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C1	ZINC000096268129	463230975	/nfs/dbraw/zinc/23/09/75/463230975.db2.gz	ZZSQULJUTHCYGS-JKSUJKDBSA-N	2	0	343.471	2.015	40	0		EEABRP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000096489059	463285628	/nfs/dbraw/zinc/28/56/28/463285628.db2.gz	RCJDLHDRVJOOPQ-LJQANCHMSA-N	2	0	329.488	2.499	40	0		EEABRP
C[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1	ZINC000097235630	219002571	/nfs/dbraw/zinc/00/25/71/219002571.db2.gz	WIDMVUXUAXBYQQ-SFHVURJKSA-N	2	0	337.895	2.431	40	0		EEABRP
Cc1ccc(C[NH+]2CCC3(C[C@H]([NH+]4CCN(C)CC4)CO3)CC2)s1	ZINC000096048844	463152859	/nfs/dbraw/zinc/15/28/59/463152859.db2.gz	OMSPEQSWXMTEGU-KRWDZBQOSA-N	2	0	349.544	2.427	40	0		EEABRP
COCC[N@H+](C)C[C@H]1CO[C@@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2	ZINC000107790623	463583749	/nfs/dbraw/zinc/58/37/49/463583749.db2.gz	SQBBBTJPPHPKKK-AZUAARDMSA-N	2	0	347.503	2.339	40	0		EEABRP
CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12	ZINC000195560320	464075913	/nfs/dbraw/zinc/07/59/13/464075913.db2.gz	LOQLKIUWMZZKFG-CEXWTWQISA-N	2	0	344.503	2.100	40	0		EEABRP
c1cncc(C[NH+]2CCO[C@@H]3C[N@H+](Cc4ccncc4)CC[C@@H]3C2)c1	ZINC000096055168	463156176	/nfs/dbraw/zinc/15/61/76/463156176.db2.gz	UNICZXQEFNOIJX-WOJBJXKFSA-N	2	0	338.455	2.200	40	0		EEABRP
CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1c(C)noc1C)CC2	ZINC000096196825	463202871	/nfs/dbraw/zinc/20/28/71/463202871.db2.gz	QECLOUIAPDPCPQ-UHFFFAOYSA-N	2	0	331.464	2.388	40	0		EEABRP
c1cc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@@H]3CC2)co1	ZINC000096249348	463226671	/nfs/dbraw/zinc/22/66/71/463226671.db2.gz	OJMSOMSZUNXOIH-RTBURBONSA-N	2	0	333.476	2.041	40	0		EEABRP
Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+]2CCCC2)s1	ZINC000096248718	463227214	/nfs/dbraw/zinc/22/72/14/463227214.db2.gz	HHPMEQAOEVREFZ-MSOLQXFVSA-N	2	0	335.517	2.037	40	0		EEABRP
CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2Cl)CC1	ZINC000225461649	464162723	/nfs/dbraw/zinc/16/27/23/464162723.db2.gz	XHROCXIGTIMDQN-UHFFFAOYSA-N	2	0	341.858	2.369	40	0		EEABRP
CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21	ZINC000253370071	464995254	/nfs/dbraw/zinc/99/52/54/464995254.db2.gz	LOQLKIUWMZZKFG-IPMKNSEASA-N	2	0	344.503	2.100	40	0		EEABRP
CC[NH+]1CCN(Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)CC1	ZINC000072394683	216192397	/nfs/dbraw/zinc/19/23/97/216192397.db2.gz	CEXGZUNLNBRSKE-UHFFFAOYSA-N	2	0	327.476	2.167	40	0		EEABRP
OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1	ZINC000097229706	463350905	/nfs/dbraw/zinc/35/09/05/463350905.db2.gz	PSQPNUJGBWLTSM-VQTJNVASSA-N	3	0	343.515	2.360	40	0		EEABRP
C[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000012195156	211317118	/nfs/dbraw/zinc/31/71/18/211317118.db2.gz	BFVSFTWBCZTGKR-SFHVURJKSA-N	2	0	333.451	2.248	40	0		EEABRP
C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CC[NH+](Cc4ccccc4)CC3)ncc12	ZINC000012326168	277215590	/nfs/dbraw/zinc/21/55/90/277215590.db2.gz	HTOSMPSWYWSIKK-FXAWDEMLSA-N	2	0	349.482	2.490	40	0		EEABRP
COc1ccc(C[N@@H+]2CC[C@@H]3O[C@H](COCC[NH+](C)C)CC[C@@H]32)cc1	ZINC000096186067	463198117	/nfs/dbraw/zinc/19/81/17/463198117.db2.gz	JWRXWRIUDSWRKE-UFYCRDLUSA-N	2	0	348.487	2.395	40	0		EEABRP
CC(C)[C@@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@H](O)C(C)C)C2)C1	ZINC000366586754	465818846	/nfs/dbraw/zinc/81/88/46/465818846.db2.gz	AWBYNCSPTOKVKS-ADUPEVMXSA-N	2	0	326.525	2.198	40	0		EEABRP
Cc1cccc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)n1	ZINC000096249668	463227138	/nfs/dbraw/zinc/22/71/38/463227138.db2.gz	UVZNMZGKAGPRNO-YLJYHZDGSA-N	2	0	345.487	2.092	40	0		EEABRP
CNC(=O)C[NH+]1CCC(C[N@H+](C)CCSc2ccccc2)CC1	ZINC000096414998	463247321	/nfs/dbraw/zinc/24/73/21/463247321.db2.gz	JHTDOVSRGMQMFX-UHFFFAOYSA-N	2	0	335.517	2.169	40	0		EEABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCOC1)CC2	ZINC000096051800	277250206	/nfs/dbraw/zinc/25/02/06/277250206.db2.gz	ZHGHOJCZMQELQS-OALUTQOASA-N	2	0	345.487	2.173	40	0		EEABRP
C[NH+]1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[N@H+](C)CC2)CC1	ZINC000257309970	463772618	/nfs/dbraw/zinc/77/26/18/463772618.db2.gz	UDCYMMLQUOZFRD-UHFFFAOYSA-N	2	0	347.478	2.244	40	0		EEABRP
CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C	ZINC000253418330	276249909	/nfs/dbraw/zinc/24/99/09/276249909.db2.gz	JDRCZTUHLZBKII-FZXOEOEMSA-N	2	0	336.568	2.372	40	0		EEABRP
CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccccc1	ZINC000095406330	463078088	/nfs/dbraw/zinc/07/80/88/463078088.db2.gz	JIXOXLWLOAXZOX-ROUUACIJSA-N	2	0	332.492	2.273	40	0		EEABRP
Cc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)s1	ZINC000096223872	463219592	/nfs/dbraw/zinc/21/95/92/463219592.db2.gz	JQAIUEAYPWMJMH-GOSISDBHSA-N	2	0	335.517	2.433	40	0		EEABRP
CSCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000167391637	463662651	/nfs/dbraw/zinc/66/26/51/463662651.db2.gz	SJZDBRWXKUUHKV-HZPDHXFCSA-N	2	0	327.538	2.181	40	0		EEABRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCC=CO2)CC1	ZINC000193793618	463742293	/nfs/dbraw/zinc/74/22/93/463742293.db2.gz	BKYGZZXLZHXMGS-KRWDZBQOSA-N	2	0	337.508	2.095	40	0		EEABRP
C[C@H]([NH3+])C(=O)N1Cc2ccccc2OC2(CCC(C[NH+](C)C)CC2)C1	ZINC000012122677	211299775	/nfs/dbraw/zinc/29/97/75/211299775.db2.gz	KTVDFJNISAUWOY-SHPPYHEDSA-N	2	0	345.487	2.245	40	0		EEABRP
Cc1cc(N2CC[NH+](CC3=CCCOC3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019697962	463020254	/nfs/dbraw/zinc/02/02/54/463020254.db2.gz	CUZQLZFPMMZSBY-IBGZPJMESA-N	2	0	342.487	2.283	40	0		EEABRP
c1cc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)cc2c1OCO2	ZINC000096185414	463197376	/nfs/dbraw/zinc/19/73/76/463197376.db2.gz	CARLFCBCKCRDHO-ABSDTBQOSA-N	2	0	344.455	2.348	40	0		EEABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3ccncc3)CC2)cn1	ZINC000257212949	244156023	/nfs/dbraw/zinc/15/60/23/244156023.db2.gz	CFNYNNMYTMPCQK-UHFFFAOYSA-N	2	0	325.460	2.388	40	0		EEABRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1	ZINC000096477022	463280571	/nfs/dbraw/zinc/28/05/71/463280571.db2.gz	RAMLSQXNKTYAOM-QGZVFWFLSA-N	2	0	347.503	2.414	40	0		EEABRP
C[N@@H+]1CCC[C@@H](CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1	ZINC000257223029	536364137	/nfs/dbraw/zinc/36/41/37/536364137.db2.gz	DVOQQGFJHAVLMG-INIZCTEOSA-N	2	0	338.455	2.279	40	0		EEABRP
CN1CC[NH+](Cc2ccc(-c3c[nH]nc3[C@@H]3CCC[NH2+]C3)cc2)CC1	ZINC000257222023	244188633	/nfs/dbraw/zinc/18/86/33/244188633.db2.gz	DRORSTUXMJCMGG-GOSISDBHSA-N	2	0	339.487	2.291	40	0		EEABRP
Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218362224	274759405	/nfs/dbraw/zinc/75/94/05/274759405.db2.gz	WDKGXTJYRVGMQN-MSOLQXFVSA-N	2	0	344.480	2.147	40	0		EEABRP
[NH3+]CCCOc1ccc(C(=O)N2CCCC[C@H]3C[NH2+]CC[C@H]32)cc1	ZINC000257238199	303380163	/nfs/dbraw/zinc/38/01/63/303380163.db2.gz	HJYSUORFKMRFLA-FUHWJXTLSA-N	2	0	331.460	2.018	40	0		EEABRP
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2C[N@H+](Cc3ccc(C)s3)CC[C@@H]21	ZINC000096185569	463198066	/nfs/dbraw/zinc/19/80/66/463198066.db2.gz	NKSHMVKIKSUQOV-RYRKJORJSA-N	2	0	335.517	2.429	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cccs1)CC2	ZINC000096196642	463201167	/nfs/dbraw/zinc/20/11/67/463201167.db2.gz	OCYJWDXCJPFBBY-UHFFFAOYSA-N	2	0	331.485	2.072	40	0		EEABRP
C[NH+](C)CCOc1cccc(C(=O)N2CC[C@H]3[NH2+]CCCCC[C@H]32)c1	ZINC000257337990	463783784	/nfs/dbraw/zinc/78/37/84/463783784.db2.gz	YVIJTYVNLVYDMR-RTBURBONSA-N	2	0	345.487	2.374	40	0		EEABRP
O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@@H]([NH2+]Cc1ccco1)C2	ZINC000096189762	285222181	/nfs/dbraw/zinc/22/21/81/285222181.db2.gz	XJUBEQTWUUFWRG-QGZVFWFLSA-N	2	0	341.455	2.184	40	0		EEABRP
CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C	ZINC000096443597	286164083	/nfs/dbraw/zinc/16/40/83/286164083.db2.gz	CKBFGZXGFWHPEE-VQIMIIECSA-N	2	0	339.524	2.111	40	0		EEABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c1	ZINC000096157608	463189319	/nfs/dbraw/zinc/18/93/19/463189319.db2.gz	SBDDFAGLWRFIOG-UHFFFAOYSA-N	2	0	345.487	2.071	40	0		EEABRP
Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)s1	ZINC000096188964	463200393	/nfs/dbraw/zinc/20/03/93/463200393.db2.gz	VUQBLGQPNRFBDO-MRXNPFEDSA-N	2	0	348.516	2.463	40	0		EEABRP
C[NH+](C)CCOc1cccc(CNC(=[NH2+])NCc2ccccc2)c1	ZINC000058308712	463575747	/nfs/dbraw/zinc/57/57/47/463575747.db2.gz	VTUZKVLOZHXZBU-UHFFFAOYSA-N	2	0	326.444	2.441	40	0		EEABRP
Cc1cccc(CN2CCOC[C@]3(C[C@@H](C[N@@H+](C)C(C)C)CO3)C2)n1	ZINC000248114867	464731241	/nfs/dbraw/zinc/73/12/41/464731241.db2.gz	LEKUUXOIBNPIGD-ICSRJNTNSA-N	2	0	347.503	2.338	40	0		EEABRP
Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C4CCOCC4)CCO[C@@H]3C2)o1	ZINC000096249664	463227085	/nfs/dbraw/zinc/22/70/85/463227085.db2.gz	LMUJUJNSTZUASO-VQIMIIECSA-N	2	0	334.460	2.290	40	0		EEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585102962	468970919	/nfs/dbraw/zinc/97/09/19/468970919.db2.gz	KCFACDMUUVGMKK-KRWDZBQOSA-N	2	0	336.476	2.395	40	0		EEABRP
Cc1n[nH]cc1C[NH+]1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1	ZINC000257266107	244361751	/nfs/dbraw/zinc/36/17/51/244361751.db2.gz	MBPVYJBXMITLMO-UHFFFAOYSA-N	2	0	328.464	2.024	40	0		EEABRP
COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1	ZINC000096501247	463291282	/nfs/dbraw/zinc/29/12/82/463291282.db2.gz	RUJVCVFHSMLTAI-RDJZCZTQSA-N	2	0	332.444	2.268	40	0		EEABRP
C[NH+](C)CCN1CCOCC2(CC[NH+](Cc3ccsc3)CC2)C1	ZINC000096239842	463224903	/nfs/dbraw/zinc/22/49/03/463224903.db2.gz	HSETVLYKZZQGCX-UHFFFAOYSA-N	2	0	337.533	2.224	40	0		EEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000585104316	468971682	/nfs/dbraw/zinc/97/16/82/468971682.db2.gz	YQCTWWCTYRENDE-IBGZPJMESA-N	2	0	332.488	2.493	40	0		EEABRP
[NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1c1ccccc1	ZINC000261661215	779753870	/nfs/dbraw/zinc/75/38/70/779753870.db2.gz	GYNSJCNUROKMLX-RTWAWAEBSA-N	2	0	349.478	2.189	40	0		EEABRP
CC(=O)OCCN1CCC[NH2+][C@H](C)c2cccc(n2)[C@H](C)[NH2+]CCC1	ZINC000068605069	215320854	/nfs/dbraw/zinc/32/08/54/215320854.db2.gz	LUBYKOJZLDGIEM-IYBDPMFKSA-N	2	0	348.491	2.042	40	0		EEABRP
C[NH+]1CCC(Cc2ccccc2)(C(=O)N2CCC[N@H+](C)CC2)CC1	ZINC000257245871	244255546	/nfs/dbraw/zinc/25/55/46/244255546.db2.gz	IRLAKEKJBSDVRQ-UHFFFAOYSA-N	2	0	329.488	2.105	40	0		EEABRP
c1ccc(N2CCN(C3CC[NH+](C[C@@H]4CCCCO4)CC3)CC2)nc1	ZINC000252484447	464962551	/nfs/dbraw/zinc/96/25/51/464962551.db2.gz	FWNSVPGEGWISPK-IBGZPJMESA-N	2	0	344.503	2.237	40	0		EEABRP
C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1	ZINC000585288491	469010078	/nfs/dbraw/zinc/01/00/78/469010078.db2.gz	BVNNJAYNKYCLJS-IPMKNSEASA-N	2	0	336.451	2.418	40	0		EEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000002279740	462591190	/nfs/dbraw/zinc/59/11/90/462591190.db2.gz	XHIDEXZXYXIKAG-QMTMVMCOSA-N	2	0	336.476	2.275	40	0		EEABRP
Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@H](C[NH+]4CCOCC4)CO3)C2)n1	ZINC000096075586	463169538	/nfs/dbraw/zinc/16/95/38/463169538.db2.gz	WAUJAMRVEFMVGK-UYAOXDASSA-N	2	0	345.487	2.093	40	0		EEABRP
c1ncn2c1C[N@@H+](CC1CCOCC1)C[C@H]2COCc1ccncc1	ZINC000263621721	464135588	/nfs/dbraw/zinc/13/55/88/464135588.db2.gz	BYICZFIPYPVNKA-IBGZPJMESA-N	2	0	342.443	2.278	40	0		EEABRP
COCC[N@@H+]1C[C@@H](COC)C2(C1)CC[NH+](Cc1cccc(C)n1)CC2	ZINC000585102926	468970350	/nfs/dbraw/zinc/97/03/50/468970350.db2.gz	IQRCAKJLIYCXSR-SFHVURJKSA-N	2	0	347.503	2.197	40	0		EEABRP
c1cc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3CC[NH+]2CCCC2)co1	ZINC000107254996	204230539	/nfs/dbraw/zinc/23/05/39/204230539.db2.gz	OJMSOMSZUNXOIH-MOPGFXCFSA-N	2	0	333.476	2.041	40	0		EEABRP
CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1	ZINC000093564862	463040962	/nfs/dbraw/zinc/04/09/62/463040962.db2.gz	LFXWYKSZJHLOOP-UHFFFAOYSA-N	2	0	341.858	2.369	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1ccsc1)C2	ZINC000096189633	463202075	/nfs/dbraw/zinc/20/20/75/463202075.db2.gz	XZARPSGLEGHEHE-MRXNPFEDSA-N	2	0	331.485	2.119	40	0		EEABRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCC=CO2)CC1	ZINC000193793636	463742757	/nfs/dbraw/zinc/74/27/57/463742757.db2.gz	BKYGZZXLZHXMGS-QGZVFWFLSA-N	2	0	337.508	2.095	40	0		EEABRP
CN(C)P1(N(C)C)=NP(N)(N)=NP(N(C)C)(N(C)C)=N1	ZINC000004794947	462638373	/nfs/dbraw/zinc/63/83/73/462638373.db2.gz	RWHMVYGYGLHYTL-UHFFFAOYSA-N	2	0	343.297	2.002	40	0		EEABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096206923	463210619	/nfs/dbraw/zinc/21/06/19/463210619.db2.gz	DJSKBDDYJJIKFB-MRXNPFEDSA-N	2	0	332.444	2.348	40	0		EEABRP
CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1O	ZINC000057742186	463515482	/nfs/dbraw/zinc/51/54/82/463515482.db2.gz	AHDVEEBDRNIBIQ-RTBURBONSA-N	2	0	337.483	2.082	40	0		EEABRP
CCC[NH+]1CCC(N2CC[NH+](CC3(O)CCC(C)CC3)CC2)CC1	ZINC000096424671	276257538	/nfs/dbraw/zinc/25/75/38/276257538.db2.gz	ZDAQXMKLJCFCSU-UHFFFAOYSA-N	2	0	337.552	2.420	40	0		EEABRP
Nc1c2ccc(C3=[NH+]CCN3)cc2[nH]c1-c1ccc(C2=[NH+]CCN2)cc1	ZINC000001583608	462583769	/nfs/dbraw/zinc/58/37/69/462583769.db2.gz	AAQCLYZAWSRWJM-UHFFFAOYSA-N	2	0	344.422	2.117	40	0		EEABRP
COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+](C)C)O3)C2)cc1	ZINC000096052289	463155810	/nfs/dbraw/zinc/15/58/10/463155810.db2.gz	XZPJVHXPMILBAX-RBUKOAKNSA-N	2	0	334.460	2.007	40	0		EEABRP
c1cc(C[NH+]2CCO[C@@H]3C[N@H+](CC4CCOCC4)CC[C@@H]3C2)ccn1	ZINC000096082367	463170263	/nfs/dbraw/zinc/17/02/63/463170263.db2.gz	JRHKQOFDUZNWFH-WOJBJXKFSA-N	2	0	345.487	2.031	40	0		EEABRP
CN1CC[NH+](Cc2ccc(-c3c[nH]nc3[C@H]3CCC[NH2+]C3)cc2)CC1	ZINC000257222024	244188667	/nfs/dbraw/zinc/18/86/67/244188667.db2.gz	DRORSTUXMJCMGG-SFHVURJKSA-N	2	0	339.487	2.291	40	0		EEABRP
CC(C)C[C@@H]1[NH2+][C@H](C(=O)NCC[NH+](C)C)Cc2c[nH]c3cccc1c23	ZINC000049171387	204370296	/nfs/dbraw/zinc/37/02/96/204370296.db2.gz	JBFZFGNOUCKDBX-ROUUACIJSA-N	2	0	342.487	2.447	40	0	biogenic,in-vitro	EEABRP
CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccccc1	ZINC000095406329	463079001	/nfs/dbraw/zinc/07/90/01/463079001.db2.gz	JIXOXLWLOAXZOX-MSOLQXFVSA-N	2	0	332.492	2.273	40	0		EEABRP
c1cncc(C[N@H+]2CC[C@@H]3O[C@H](COCC[NH+]4CCCC4)CC[C@@H]32)c1	ZINC000096186092	463197983	/nfs/dbraw/zinc/19/79/83/463197983.db2.gz	IPSONUGHFBYKRI-UFYCRDLUSA-N	2	0	345.487	2.316	40	0		EEABRP
C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000096489060	463285194	/nfs/dbraw/zinc/28/51/94/463285194.db2.gz	RCJDLHDRVJOOPQ-IBGZPJMESA-N	2	0	329.488	2.499	40	0		EEABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404765	463212165	/nfs/dbraw/zinc/21/21/65/463212165.db2.gz	HTPIXMZDHMKSNX-MJGOQNOKSA-N	2	0	329.488	2.483	40	0		EEABRP
CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000253370070	464994588	/nfs/dbraw/zinc/99/45/88/464994588.db2.gz	LOQLKIUWMZZKFG-GUDVDZBRSA-N	2	0	344.503	2.100	40	0		EEABRP
C[N@@H+](Cc1ccco1)C[C@@H]1OC[C@H]2C[NH+](C[C@H]3CCOC3)CC[C@@H]12	ZINC000107202132	204227435	/nfs/dbraw/zinc/22/74/35/204227435.db2.gz	QSFKPQSJLWCLGO-RWQQGDIJSA-N	2	0	334.460	2.085	40	0		EEABRP
COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1	ZINC000096052292	463157198	/nfs/dbraw/zinc/15/71/98/463157198.db2.gz	XZPJVHXPMILBAX-MOPGFXCFSA-N	2	0	334.460	2.007	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccc(F)cc1)CC2	ZINC000096196648	463202101	/nfs/dbraw/zinc/20/21/01/463202101.db2.gz	VOLULPQWGQCWLH-UHFFFAOYSA-N	2	0	343.446	2.150	40	0		EEABRP
OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1	ZINC000097229704	463351476	/nfs/dbraw/zinc/35/14/76/463351476.db2.gz	PSQPNUJGBWLTSM-WOJBJXKFSA-N	3	0	343.515	2.360	40	0		EEABRP
C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2	ZINC000252585967	464984378	/nfs/dbraw/zinc/98/43/78/464984378.db2.gz	MMEZOPIAQKQLAW-NXHRZFHOSA-N	2	0	346.471	2.437	40	0		EEABRP
Cc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC[NH+](C)C)CC2)n1	ZINC000096217717	463215548	/nfs/dbraw/zinc/21/55/48/463215548.db2.gz	QNVQHFLNSODZEE-FQEVSTJZSA-N	2	0	344.503	2.299	40	0		EEABRP
C[N@@H+]1C[C@H](COCc2ccccn2)[C@]2(CC[NH+](C3CCOCC3)C2)C1	ZINC000096209630	463213328	/nfs/dbraw/zinc/21/33/28/463213328.db2.gz	PKBBEYDCXYPSQS-YLJYHZDGSA-N	2	0	345.487	2.031	40	0		EEABRP
CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2cccc(F)c2)C[C@H]1O	ZINC000057742201	463516024	/nfs/dbraw/zinc/51/60/24/463516024.db2.gz	KXMMUYSBUXJHNJ-RTBURBONSA-N	2	0	337.483	2.082	40	0		EEABRP
O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCCC1	ZINC000107198439	463560795	/nfs/dbraw/zinc/56/07/95/463560795.db2.gz	HSMCIWNGOAOSLI-ZWKOTPCHSA-N	2	0	331.435	2.097	40	0		EEABRP
CN(C)c1cc[n+](C(c2ccccc2)[n+]2ccc(N(C)C)cc2)cc1	ZINC000005342411	1351367891	/nfs/dbraw/zinc/36/78/91/1351367891.db2.gz	IPDTVIZHYDRIJN-UHFFFAOYSA-N	2	0	334.467	2.489	40	0		EEABRP
COCC[NH+](CCOC)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1	ZINC000072394691	216192744	/nfs/dbraw/zinc/19/27/44/216192744.db2.gz	NWVKNKICKDRMHY-UHFFFAOYSA-N	2	0	346.475	2.125	40	0		EEABRP
c1cc(C[N@@H+]2CC[C@@H]3[C@@H](C[NH+]4CCCC4)OC[C@@H]3C2)cc2c1OCO2	ZINC000096064295	463162618	/nfs/dbraw/zinc/16/26/18/463162618.db2.gz	JZMQKPXJOUSYFY-ABSDTBQOSA-N	2	0	344.455	2.348	40	0		EEABRP
C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000097101615	463324119	/nfs/dbraw/zinc/32/41/19/463324119.db2.gz	NKXHMPSNPVVMJO-MOPGFXCFSA-N	2	0	344.503	2.244	40	0		EEABRP
C[NH+](C)CCN(C(=O)Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1	ZINC000012238244	211327609	/nfs/dbraw/zinc/32/76/09/211327609.db2.gz	RUAZUWHPLRHTOL-UHFFFAOYSA-N	2	0	343.515	2.202	40	0		EEABRP
C[C@@H](C[NH2+]Cc1sccc1Br)CN1CC[NH+](C)CC1	ZINC000097378289	463356084	/nfs/dbraw/zinc/35/60/84/463356084.db2.gz	JYPGJDNNCPGLIS-LBPRGKRZSA-N	2	0	346.338	2.484	40	0		EEABRP
C[NH+](C)CCN1CC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1=O	ZINC000096223902	463219736	/nfs/dbraw/zinc/21/97/36/463219736.db2.gz	ICEBMIWCZOUQGQ-IBGZPJMESA-N	2	0	333.451	2.202	40	0		EEABRP
COc1cccc(CCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000096424369	463255322	/nfs/dbraw/zinc/25/53/22/463255322.db2.gz	WIGKUFFABFMUPH-IBGZPJMESA-N	2	0	331.504	2.340	40	0		EEABRP
Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)n1	ZINC000107790499	463583005	/nfs/dbraw/zinc/58/30/05/463583005.db2.gz	WAUJAMRVEFMVGK-ICSRJNTNSA-N	2	0	345.487	2.093	40	0		EEABRP
C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1	ZINC000245338967	464471169	/nfs/dbraw/zinc/47/11/69/464471169.db2.gz	PSGYVYOJTRTZGP-HKBOAZHASA-N	3	0	342.531	2.192	40	0		EEABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000248164503	464735855	/nfs/dbraw/zinc/73/58/55/464735855.db2.gz	ZBKGURVMTXYGPJ-MRXNPFEDSA-N	2	0	332.444	2.206	40	0		EEABRP
C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1	ZINC000113971951	462619665	/nfs/dbraw/zinc/61/96/65/462619665.db2.gz	WMPKSKPRYGTZOL-INIZCTEOSA-N	2	0	333.451	2.248	40	0		EEABRP
c1cc(C[N@H+]2CC[C@H]3OCCN(CC[NH+]4CCCC4)[C@H]3CC2)co1	ZINC000096249349	463226760	/nfs/dbraw/zinc/22/67/60/463226760.db2.gz	OJMSOMSZUNXOIH-RBUKOAKNSA-N	2	0	333.476	2.041	40	0		EEABRP
Cc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@@H]3COCC3CC3)CC2)n(C)n1	ZINC000585103917	468970174	/nfs/dbraw/zinc/97/01/74/468970174.db2.gz	UBPPIGSSFAKCRZ-GOSISDBHSA-N	2	0	346.519	2.299	40	0		EEABRP
CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccoc4)CC3)[C@@H]1C[N@H+](C)C2	ZINC000096036282	463142219	/nfs/dbraw/zinc/14/22/19/463142219.db2.gz	SVFPHWHVVOXBRN-FXAWDEMLSA-N	2	0	345.487	2.292	40	0		EEABRP
c1csc(C[N@H+]2CCOC[C@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1	ZINC000107738763	463580977	/nfs/dbraw/zinc/58/09/77/463580977.db2.gz	YANOCVUOIJRALB-WMZOPIPTSA-N	2	0	336.501	2.451	40	0		EEABRP
CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)c1	ZINC000257332813	463781438	/nfs/dbraw/zinc/78/14/38/463781438.db2.gz	XYUCVWVOIGMSLT-SFHVURJKSA-N	2	0	346.475	2.206	40	0		EEABRP
[NH3+]CCCN1CC[NH+](CCCNc2cccc3cccnc32)CC1	ZINC000019366123	212022661	/nfs/dbraw/zinc/02/26/61/212022661.db2.gz	VHRJPVRQQQBKOQ-UHFFFAOYSA-N	2	0	327.476	2.003	40	0		EEABRP
CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C	ZINC000096443598	286166931	/nfs/dbraw/zinc/16/69/31/286166931.db2.gz	CKBFGZXGFWHPEE-QFBILLFUSA-N	2	0	339.524	2.111	40	0		EEABRP
C[NH+](C)CCN1CCOCC12CC[NH+](Cc1cccc(F)c1)CC2	ZINC000096074643	463167069	/nfs/dbraw/zinc/16/70/69/463167069.db2.gz	SEQIYMWMMHXIDZ-UHFFFAOYSA-N	2	0	335.467	2.054	40	0		EEABRP
CC(C)[NH+]1CCC(Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1	ZINC000195557893	464076177	/nfs/dbraw/zinc/07/61/77/464076177.db2.gz	WWFKXDKTWPJPPC-IBGZPJMESA-N	2	0	344.503	2.421	40	0		EEABRP
Cc1ccc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)s1	ZINC000096189638	463201520	/nfs/dbraw/zinc/20/15/20/463201520.db2.gz	QBASPQPKMDNTRL-MRXNPFEDSA-N	2	0	345.512	2.427	40	0		EEABRP
C[C@@H]1C[N@H+](Cc2cccc(F)c2)C[C@]12CCN(CC[NH+](C)C)C2=O	ZINC000096201652	463207484	/nfs/dbraw/zinc/20/74/84/463207484.db2.gz	YUQKJSBXKVRYAN-DNVCBOLYSA-N	2	0	333.451	2.058	40	0		EEABRP
C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1=O	ZINC000096223905	463219242	/nfs/dbraw/zinc/21/92/42/463219242.db2.gz	ICEBMIWCZOUQGQ-LJQANCHMSA-N	2	0	333.451	2.202	40	0		EEABRP
CSCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000167391860	295600466	/nfs/dbraw/zinc/60/04/66/295600466.db2.gz	SJZDBRWXKUUHKV-JKSUJKDBSA-N	2	0	327.538	2.181	40	0		EEABRP
CCC[N@@H+]1Cc2ccccc2C2(CC[NH+](CC(=O)N(C)C)CC2)C1	ZINC000096242440	276014680	/nfs/dbraw/zinc/01/46/80/276014680.db2.gz	LCLGQFGLAUREKR-UHFFFAOYSA-N	2	0	329.488	2.334	40	0		EEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391087	217219236	/nfs/dbraw/zinc/21/92/36/217219236.db2.gz	CUMCIWAJMLVAPO-MJGOQNOKSA-N	2	0	329.488	2.483	40	0		EEABRP
O=C(Nc1ccccc1C1=[NH+]CCN1)Nc1ccccc1C1=[NH+]CCN1	ZINC000006567865	462690496	/nfs/dbraw/zinc/69/04/96/462690496.db2.gz	WLFUOMGYHMKOHP-UHFFFAOYSA-N	2	0	348.410	2.030	40	0		EEABRP
COc1ccc(C[N@@H+]2C[C@H](OCC[NH+](C)C)[C@H]3OCCC[C@H]32)cc1	ZINC000096057454	463158824	/nfs/dbraw/zinc/15/88/24/463158824.db2.gz	KSXBDXUJWYMCJR-QYZOEREBSA-N	2	0	334.460	2.005	40	0		EEABRP
Cc1ccc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)s1	ZINC000096196647	463201781	/nfs/dbraw/zinc/20/17/81/463201781.db2.gz	WMHBQROIUNEUEI-UHFFFAOYSA-N	2	0	345.512	2.381	40	0		EEABRP
OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1	ZINC000253370353	464994669	/nfs/dbraw/zinc/99/46/69/464994669.db2.gz	PSQPNUJGBWLTSM-UXHICEINSA-N	3	0	343.515	2.360	40	0		EEABRP
Cc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC[NH+](C)C)CC2)n1	ZINC000096217715	463215493	/nfs/dbraw/zinc/21/54/93/463215493.db2.gz	QNVQHFLNSODZEE-HXUWFJFHSA-N	2	0	344.503	2.299	40	0		EEABRP
Cc1cc(C[NH+]2CCC3(C[N@H+](C)C[C@H]3COCC3CC3)CC2)n(C)n1	ZINC000585103922	468970893	/nfs/dbraw/zinc/97/08/93/468970893.db2.gz	UBPPIGSSFAKCRZ-SFHVURJKSA-N	2	0	346.519	2.299	40	0		EEABRP
C[C@@H]1C[NH+](CCC2CC[NH+](CCc3ccnn3C)CC2)C[C@@H](C)O1	ZINC000253420902	243958164	/nfs/dbraw/zinc/95/81/64/243958164.db2.gz	NHOKFWSENYMFID-IAGOWNOFSA-N	2	0	334.508	2.174	40	0		EEABRP
CC[NH+](CC)CCNc1nc(Cl)nc(NCC[NH+](CC)CC)n1	ZINC000001842849	462587411	/nfs/dbraw/zinc/58/74/11/462587411.db2.gz	YQCUPWSUYVNKCO-UHFFFAOYSA-N	2	0	343.907	2.032	40	0		EEABRP
c1csc(C[N@H+]2CCOC[C@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1	ZINC000096052011	463154668	/nfs/dbraw/zinc/15/46/68/463154668.db2.gz	YANOCVUOIJRALB-AEFFLSMTSA-N	2	0	336.501	2.451	40	0		EEABRP
C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H](c2ccccc2)C1	ZINC000195545526	464075007	/nfs/dbraw/zinc/07/50/07/464075007.db2.gz	PSGYVYOJTRTZGP-NJDAHSKKSA-N	3	0	342.531	2.192	40	0		EEABRP
Cc1cccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019234937	524404467	/nfs/dbraw/zinc/40/44/67/524404467.db2.gz	KAMMIDJUPWGDSL-MRXNPFEDSA-N	2	0	336.443	2.083	40	0		EEABRP
c1ccc(C[N@H+]2CC[C@@H]3O[C@@H](COCC[NH+]4CCCC4)CC[C@@H]32)nc1	ZINC000096186701	463199465	/nfs/dbraw/zinc/19/94/65/463199465.db2.gz	VZVYQYFZWKVBAH-AABGKKOBSA-N	2	0	345.487	2.316	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1ccsc1)C2	ZINC000096189632	463201376	/nfs/dbraw/zinc/20/13/76/463201376.db2.gz	XZARPSGLEGHEHE-INIZCTEOSA-N	2	0	331.485	2.119	40	0		EEABRP
CC(C)[NH+]1CCC(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000097238302	463352509	/nfs/dbraw/zinc/35/25/09/463352509.db2.gz	LOMFHRMXPGMHOD-PMACEKPBSA-N	2	0	331.504	2.084	40	0		EEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1cccc(C)n1)CC2	ZINC000585102925	468970780	/nfs/dbraw/zinc/97/07/80/468970780.db2.gz	IQRCAKJLIYCXSR-GOSISDBHSA-N	2	0	347.503	2.197	40	0		EEABRP
O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@@H]([NH2+]Cc1ccoc1)C2	ZINC000096189764	285222103	/nfs/dbraw/zinc/22/21/03/285222103.db2.gz	IRKZKVRFSYRHEA-GOSISDBHSA-N	2	0	341.455	2.184	40	0		EEABRP
COc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+](C)C)O3)C2)cc1	ZINC000096052290	463156211	/nfs/dbraw/zinc/15/62/11/463156211.db2.gz	XZPJVHXPMILBAX-RTBURBONSA-N	2	0	334.460	2.007	40	0		EEABRP
Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](COCC[NH+](C)C)C2)s1	ZINC000096188965	463200708	/nfs/dbraw/zinc/20/07/08/463200708.db2.gz	VUQBLGQPNRFBDO-INIZCTEOSA-N	2	0	348.516	2.463	40	0		EEABRP
C[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@]12CCN(CC[NH+](C)C)C2=O	ZINC000096201646	463206543	/nfs/dbraw/zinc/20/65/43/463206543.db2.gz	RLUQLGUIJUKYLE-DNVCBOLYSA-N	2	0	333.451	2.058	40	0		EEABRP
Cc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)s1	ZINC000096223869	463218872	/nfs/dbraw/zinc/21/88/72/463218872.db2.gz	JQAIUEAYPWMJMH-SFHVURJKSA-N	2	0	335.517	2.433	40	0		EEABRP
Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc1	ZINC000096157741	218632124	/nfs/dbraw/zinc/63/21/24/218632124.db2.gz	ODCJSMARVJIMFG-UHFFFAOYSA-N	2	0	329.488	2.371	40	0		EEABRP
C[NH+](C)CCCNC(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1	ZINC000257307744	289117142	/nfs/dbraw/zinc/11/71/42/289117142.db2.gz	TTXIQKDDFARGSI-UHFFFAOYSA-N	2	0	340.471	2.492	40	0		EEABRP
COCC[N@H+](C)C[C@@H]1CO[C@@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2	ZINC000096075678	463168497	/nfs/dbraw/zinc/16/84/97/463168497.db2.gz	SQBBBTJPPHPKKK-UYAOXDASSA-N	2	0	347.503	2.339	40	0		EEABRP
C[N@@H+]1CCC[C@H]1CCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1	ZINC000257318884	463776971	/nfs/dbraw/zinc/77/69/71/463776971.db2.gz	VPVACYMOPGYCKG-KRWDZBQOSA-N	2	0	338.455	2.421	40	0		EEABRP
CC[NH+]1C[C@@H](C)N(C/C=C/CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C	ZINC000253418337	465006404	/nfs/dbraw/zinc/00/64/04/465006404.db2.gz	JDRCZTUHLZBKII-UFOHUHDDSA-N	2	0	336.568	2.372	40	0		EEABRP
Clc1ccc2ncc(-c3cccc(CC4C[NH2+]CC[NH2+]C4)n3)n2c1	ZINC000585262858	468996003	/nfs/dbraw/zinc/99/60/03/468996003.db2.gz	MGURTGGMHDTBOQ-UHFFFAOYSA-N	2	0	341.846	2.401	40	0		EEABRP
CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)CC1	ZINC000096048846	277112116	/nfs/dbraw/zinc/11/21/16/277112116.db2.gz	DIUUISAIHRPCCU-LJQANCHMSA-N	2	0	347.478	2.197	40	0		EEABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@@H]2CCN(C(=O)C(C)C)C2)[nH+]1	ZINC000019705386	463020232	/nfs/dbraw/zinc/02/02/32/463020232.db2.gz	KAGHHPQODZNFHE-MRXNPFEDSA-N	2	0	330.476	2.114	40	0		EEABRP
Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)cn1	ZINC000096157555	463188843	/nfs/dbraw/zinc/18/88/43/463188843.db2.gz	REEDBBKEXHGHIE-UHFFFAOYSA-N	2	0	325.460	2.303	40	0		EEABRP
c1cc(C[N@H+]2CC[C@@H]3OCCN(CC[NH+]4CCCC4)[C@H]3CC2)co1	ZINC000107254994	463562858	/nfs/dbraw/zinc/56/28/58/463562858.db2.gz	OJMSOMSZUNXOIH-OALUTQOASA-N	2	0	333.476	2.041	40	0		EEABRP
CC(C)Oc1ccc([C@@H]2CN(C(=O)Cn3ccnc3)CCN2C)cc1	ZINC000257261856	463758429	/nfs/dbraw/zinc/75/84/29/463758429.db2.gz	LJAOYYMRCQURBI-SFHVURJKSA-N	2	0	342.443	2.186	40	0		EEABRP
C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)CC1	ZINC000113971948	462619348	/nfs/dbraw/zinc/61/93/48/462619348.db2.gz	WMPKSKPRYGTZOL-MRXNPFEDSA-N	2	0	333.451	2.248	40	0		EEABRP
C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ncccc1-c1cccc(C[NH3+])c1	ZINC000257318885	463776013	/nfs/dbraw/zinc/77/60/13/463776013.db2.gz	VPVACYMOPGYCKG-QGZVFWFLSA-N	2	0	338.455	2.421	40	0		EEABRP
CC[NH+]1C[C@H](C)N(C/C=C/CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@H]1C	ZINC000253418341	465005856	/nfs/dbraw/zinc/00/58/56/465005856.db2.gz	JDRCZTUHLZBKII-ZAWDAWMMSA-N	2	0	336.568	2.372	40	0		EEABRP
c1csc(C[N@H+]2CCOC[C@@]3(C[C@@H](C[NH+]4CCCC4)CO3)C2)c1	ZINC000107738760	219804395	/nfs/dbraw/zinc/80/43/95/219804395.db2.gz	YANOCVUOIJRALB-FUHWJXTLSA-N	2	0	336.501	2.451	40	0		EEABRP
CCC[NH2+]CCN(CCC)C(=N)C(=[NH2+])N(CCC)CC[NH2+]CCC	ZINC000005187762	462649126	/nfs/dbraw/zinc/64/91/26/462649126.db2.gz	GYCBQGVCVAESEE-UHFFFAOYSA-N	3	0	340.560	2.364	40	0		EEABRP
c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)c1	ZINC000096055173	463156780	/nfs/dbraw/zinc/15/67/80/463156780.db2.gz	UBZWSXOMEGQULT-IEBWSBKVSA-N	2	0	327.428	2.398	40	0		EEABRP
C[NH+](C)CC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21	ZINC000248143186	464734597	/nfs/dbraw/zinc/73/45/97/464734597.db2.gz	UVDQPDATRPZFOH-INIZCTEOSA-N	2	0	328.416	2.120	40	0		EEABRP
C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2[NH2+]CCCCC[C@H]21	ZINC000257227708	244204255	/nfs/dbraw/zinc/20/42/55/244204255.db2.gz	FQNXTDQKGAUOAR-QZTJIDSGSA-N	2	0	345.487	2.374	40	0		EEABRP
CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2	ZINC000181456206	464492891	/nfs/dbraw/zinc/49/28/91/464492891.db2.gz	INUWZQHDUYOXLF-MSOLQXFVSA-N	2	0	344.503	2.271	40	0		EEABRP
Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218362376	280971139	/nfs/dbraw/zinc/97/11/39/280971139.db2.gz	WDKGXTJYRVGMQN-QZTJIDSGSA-N	2	0	344.480	2.147	40	0		EEABRP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCN(C)CC4)OC[C@H]3C2)s1	ZINC000096185268	463195907	/nfs/dbraw/zinc/19/59/07/463195907.db2.gz	MIFOXHFGCIWSFU-QRQLOZEOSA-N	2	0	349.544	2.141	40	0		EEABRP
Cc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])C(C)C)CC1(CC[NH+](C)CC1)O2	ZINC000012365451	462850990	/nfs/dbraw/zinc/85/09/90/462850990.db2.gz	IWYFCGRKGLQIOH-GOSISDBHSA-N	2	0	345.487	2.164	40	0		EEABRP
Cc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])C(C)C)CC1(CC[NH+](C)CC1)O2	ZINC000012365452	462851728	/nfs/dbraw/zinc/85/17/28/462851728.db2.gz	IWYFCGRKGLQIOH-SFHVURJKSA-N	2	0	345.487	2.164	40	0		EEABRP
C[NH+](C)CC(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2	ZINC000096157592	463188550	/nfs/dbraw/zinc/18/85/50/463188550.db2.gz	IGKDQXGNMLMYNI-UHFFFAOYSA-N	2	0	333.451	2.202	40	0		EEABRP
c1ccc(C[NH+]2CCN(c3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1	ZINC000028048338	463214594	/nfs/dbraw/zinc/21/45/94/463214594.db2.gz	CTCAPWCETUNAMG-UHFFFAOYSA-N	2	0	336.483	2.418	40	0		EEABRP
N=C(N=O)C1=CC[NH+](CCCC[N@@H+]2C=CC(C(=N)N=O)=CC2)C=C1	ZINC000136643696	463250455	/nfs/dbraw/zinc/25/04/55/463250455.db2.gz	KPNRQUUIJWHQBI-UHFFFAOYSA-N	2	0	328.376	2.326	40	0		EEABRP
COC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1	ZINC000195558005	241008032	/nfs/dbraw/zinc/00/80/32/241008032.db2.gz	RUJVCVFHSMLTAI-DOTOQJQBSA-N	2	0	332.444	2.268	40	0		EEABRP
Cn1cccc1C[NH+]1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1	ZINC000257257514	244287802	/nfs/dbraw/zinc/28/78/02/244287802.db2.gz	KPYUBEZGRDSRFK-UHFFFAOYSA-N	2	0	327.476	2.331	40	0		EEABRP
CN(C)C(=O)[C@@]12CCC3(CC[NH+](Cc4ccco4)CC3)[C@@H]1C[N@H+](C)C2	ZINC000096036280	463142785	/nfs/dbraw/zinc/14/27/85/463142785.db2.gz	QTAXKVOKINKLLE-FXAWDEMLSA-N	2	0	345.487	2.292	40	0		EEABRP
CN1CC[NH+](Cc2cccc(-c3c[nH]nc3[C@@H]3CCC[NH2+]C3)c2)CC1	ZINC000257332912	463780903	/nfs/dbraw/zinc/78/09/03/463780903.db2.gz	XZIANFBHDDFNQQ-GOSISDBHSA-N	2	0	339.487	2.291	40	0		EEABRP
CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1	ZINC000257342007	463785866	/nfs/dbraw/zinc/78/58/66/463785866.db2.gz	ZMRVVCYMAHVZQI-GOSISDBHSA-N	2	0	330.476	2.262	40	0		EEABRP
COCC(=O)N1CCC[C@H](c2cc(-n3cc(C)nc3C)cc[nH+]2)C1	ZINC000585178789	468994593	/nfs/dbraw/zinc/99/45/93/468994593.db2.gz	BBASBSGALLXDNW-HNNXBMFYSA-N	2	0	328.416	2.237	40	0		EEABRP
Cc1ccc(C[N@H+]2CC[C@H]3CO[C@H](CN4CC[NH+](C)CC4)[C@H]3C2)s1	ZINC000096056259	463157766	/nfs/dbraw/zinc/15/77/66/463157766.db2.gz	MUQUJUFEQZTKHO-YTQUADARSA-N	2	0	349.544	2.141	40	0		EEABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096206924	463210952	/nfs/dbraw/zinc/21/09/52/463210952.db2.gz	DJSKBDDYJJIKFB-INIZCTEOSA-N	2	0	332.444	2.348	40	0		EEABRP
O=C1CCC2(CC[NH+](Cc3ccccn3)CC2)N1CC[NH+]1CCCC1	ZINC000096228137	463222104	/nfs/dbraw/zinc/22/21/04/463222104.db2.gz	GABAUAMXEGQWQQ-UHFFFAOYSA-N	2	0	342.487	2.134	40	0		EEABRP
Cc1cc(N2CC[NH+](CC3=CCCOC3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019697963	463020379	/nfs/dbraw/zinc/02/03/79/463020379.db2.gz	CUZQLZFPMMZSBY-LJQANCHMSA-N	2	0	342.487	2.283	40	0		EEABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCOC1)CC2	ZINC000096051799	463154759	/nfs/dbraw/zinc/15/47/59/463154759.db2.gz	ZHGHOJCZMQELQS-RTBURBONSA-N	2	0	345.487	2.173	40	0		EEABRP
c1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccncc4)CCO[C@@H]3C2)ccn1	ZINC000096055183	463156401	/nfs/dbraw/zinc/15/64/01/463156401.db2.gz	OJZDDAHTYQXQFH-WOJBJXKFSA-N	2	0	338.455	2.200	40	0		EEABRP
Cc1cccc(C[N@@H+]2CC[C@H](c3nn(CC[NH3+])c4nccnc34)C2)c1	ZINC000019234938	524407409	/nfs/dbraw/zinc/40/74/09/524407409.db2.gz	KAMMIDJUPWGDSL-INIZCTEOSA-N	2	0	336.443	2.083	40	0		EEABRP
C[NH+](C)CCN1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O	ZINC000096046787	463150702	/nfs/dbraw/zinc/15/07/02/463150702.db2.gz	SYZBTKDXECQFHN-UHFFFAOYSA-N	2	0	333.451	2.202	40	0		EEABRP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[NH+]4CCN(C)CC4)OC[C@H]3C2)cc1	ZINC000096185269	463196295	/nfs/dbraw/zinc/19/62/95/463196295.db2.gz	HCUJCUYEAPRJCU-NJYVYQBISA-N	2	0	343.515	2.079	40	0		EEABRP
C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000097101610	463323951	/nfs/dbraw/zinc/32/39/51/463323951.db2.gz	NKXHMPSNPVVMJO-RTBURBONSA-N	2	0	344.503	2.244	40	0		EEABRP
CN(Cc1ccccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1	ZINC000248122878	464732817	/nfs/dbraw/zinc/73/28/17/464732817.db2.gz	NPCSWIDYDJIEDJ-PMACEKPBSA-N	2	0	338.455	2.342	40	0		EEABRP
CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](Cc2ccccc2)C2CC2)C1	ZINC000079391085	217217025	/nfs/dbraw/zinc/21/70/25/217217025.db2.gz	CUMCIWAJMLVAPO-HKUYNNGSSA-N	2	0	329.488	2.483	40	0		EEABRP
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(OCc2cccc(N)c2)c1	ZINC000001701931	462585089	/nfs/dbraw/zinc/58/50/89/462585089.db2.gz	JNYZYDBUKUVZSZ-UHFFFAOYSA-N	2	0	338.415	2.033	40	0	in-vitro	EEABRP
Cc1cc(N2CC[NH+](C)CC2)cc([C@H]2CCN(C(=O)C(C)C)C2)[nH+]1	ZINC000019705387	463020970	/nfs/dbraw/zinc/02/09/70/463020970.db2.gz	KAGHHPQODZNFHE-INIZCTEOSA-N	2	0	330.476	2.114	40	0		EEABRP
O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2cccs2)N1CC[NH+]1CCCC1	ZINC000096186292	463197547	/nfs/dbraw/zinc/19/75/47/463197547.db2.gz	QZEJDGAKYBAYAM-IRXDYDNUSA-N	2	0	333.501	2.409	40	0		EEABRP
COCC(=O)N1CCC[C@@H](c2cc(-n3cc(C)nc3C)cc[nH+]2)C1	ZINC000585178790	468993742	/nfs/dbraw/zinc/99/37/42/468993742.db2.gz	BBASBSGALLXDNW-OAHLLOKOSA-N	2	0	328.416	2.237	40	0		EEABRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1	ZINC000096477020	463280530	/nfs/dbraw/zinc/28/05/30/463280530.db2.gz	RAMLSQXNKTYAOM-KRWDZBQOSA-N	2	0	347.503	2.414	40	0		EEABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3cccnc3)CC2)cn1	ZINC000257299256	463768489	/nfs/dbraw/zinc/76/84/89/463768489.db2.gz	RPHZKPKDPGLJDH-UHFFFAOYSA-N	2	0	325.460	2.388	40	0		EEABRP
CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218409202	464108815	/nfs/dbraw/zinc/10/88/15/464108815.db2.gz	CLHGLAFITPAZDJ-QZTJIDSGSA-N	2	0	344.480	2.093	40	0		EEABRP
COC(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1	ZINC000096489889	463286708	/nfs/dbraw/zinc/28/67/08/463286708.db2.gz	DAZOITAIQVWYEG-KRWDZBQOSA-N	2	0	345.487	2.212	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1cccc(F)c1)CC2	ZINC000096196656	463201947	/nfs/dbraw/zinc/20/19/47/463201947.db2.gz	JULKDWMKWZSOFE-UHFFFAOYSA-N	2	0	343.446	2.150	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cccs1)C2	ZINC000096189628	463202115	/nfs/dbraw/zinc/20/21/15/463202115.db2.gz	KDZGWJIHRVHAIN-HNNXBMFYSA-N	2	0	331.485	2.119	40	0		EEABRP
C[C@H]1[NH2+]CCCN(CC[NH+](C)C)CCC[NH2+][C@@H](C)c2cccc1n2	ZINC000023477234	300568123	/nfs/dbraw/zinc/56/81/23/300568123.db2.gz	OZFJFCNWGUGNES-CALCHBBNSA-N	3	0	333.524	2.040	40	0		EEABRP
CN1CC[NH+](C[C@@H]2CCC[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]32)CC1	ZINC000096081896	463170692	/nfs/dbraw/zinc/17/06/92/463170692.db2.gz	HKYYBFYHSNCPRD-GVDBMIGSSA-N	2	0	334.533	2.239	40	0		EEABRP
CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](CCOCc3ccccc3)C2)C1	ZINC000096216563	463214638	/nfs/dbraw/zinc/21/46/38/463214638.db2.gz	IRCQMVYGRBTSQN-WOJBJXKFSA-N	2	0	332.488	2.493	40	0		EEABRP
CC(C)[NH+]1CCC(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000097238303	463352367	/nfs/dbraw/zinc/35/23/67/463352367.db2.gz	LOMFHRMXPGMHOD-UXHICEINSA-N	2	0	331.504	2.084	40	0		EEABRP
CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1	ZINC000257342008	463785777	/nfs/dbraw/zinc/78/57/77/463785777.db2.gz	ZMRVVCYMAHVZQI-SFHVURJKSA-N	2	0	330.476	2.262	40	0		EEABRP
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000097101607	463324068	/nfs/dbraw/zinc/32/40/68/463324068.db2.gz	NKXHMPSNPVVMJO-RBUKOAKNSA-N	2	0	344.503	2.244	40	0		EEABRP
CN1CC[NH+](Cc2cccc(-c3c[nH]nc3[C@H]3CCC[NH2+]C3)c2)CC1	ZINC000257332913	463781554	/nfs/dbraw/zinc/78/15/54/463781554.db2.gz	XZIANFBHDDFNQQ-SFHVURJKSA-N	2	0	339.487	2.291	40	0		EEABRP
CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](Cc2cccs2)CC3)CC1	ZINC000096048838	463153073	/nfs/dbraw/zinc/15/30/73/463153073.db2.gz	ONPNBMVRPWPYMW-MRXNPFEDSA-N	2	0	335.517	2.119	40	0		EEABRP
C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1	ZINC000096477213	463280297	/nfs/dbraw/zinc/28/02/97/463280297.db2.gz	FBLOCCIYHYOSFY-HNNXBMFYSA-N	2	0	328.460	2.228	40	0		EEABRP
Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)s1	ZINC000096046786	463150598	/nfs/dbraw/zinc/15/05/98/463150598.db2.gz	YDIOGTLLGINMSD-UHFFFAOYSA-N	2	0	335.517	2.433	40	0		EEABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@H]1CCOC1)CC2	ZINC000096051801	463154650	/nfs/dbraw/zinc/15/46/50/463154650.db2.gz	ZHGHOJCZMQELQS-RBUKOAKNSA-N	2	0	345.487	2.173	40	0		EEABRP
COc1ccc(-c2noc([C@@H]3CCCN3C3CC[NH+](C)CC3)n2)cn1	ZINC000035425854	463431058	/nfs/dbraw/zinc/43/10/58/463431058.db2.gz	BMRDXAQTWGPSRQ-HNNXBMFYSA-N	2	0	343.431	2.371	40	0	biogenic,in-vitro	EEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccccc1)CC2	ZINC000585104318	468972302	/nfs/dbraw/zinc/97/23/02/468972302.db2.gz	YQCTWWCTYRENDE-LJQANCHMSA-N	2	0	332.488	2.493	40	0		EEABRP
O[C@H]1C[N@@H+](C2CCCCC2)C[C@H]1[C@@]1(O)CC[NH+](C2CCCCC2)C1	ZINC000004783192	285367529	/nfs/dbraw/zinc/36/75/29/285367529.db2.gz	OHHVXRZTKRYDRS-HSALFYBXSA-N	2	0	336.520	2.381	40	0		EEABRP
CC(=O)OCCN1CCC[NH2+][C@@H](C)c2cccc(n2)[C@H](C)[NH2+]CCC1	ZINC000068605073	215322051	/nfs/dbraw/zinc/32/20/51/215322051.db2.gz	LUBYKOJZLDGIEM-HOTGVXAUSA-N	2	0	348.491	2.042	40	0		EEABRP
O=C1CCC2(CC[NH+](Cc3ccoc3)CC2)N1CC[NH+]1CCCC1	ZINC000096228135	463222226	/nfs/dbraw/zinc/22/22/26/463222226.db2.gz	SOGOFFTXPYBWOX-UHFFFAOYSA-N	2	0	331.460	2.332	40	0		EEABRP
COCC[N@H+](C)C[C@@H]1CO[C@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2	ZINC000096075677	463169165	/nfs/dbraw/zinc/16/91/65/463169165.db2.gz	SQBBBTJPPHPKKK-QUCCMNQESA-N	2	0	347.503	2.339	40	0		EEABRP
OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1	ZINC000253370352	464994114	/nfs/dbraw/zinc/99/41/14/464994114.db2.gz	PSQPNUJGBWLTSM-PMACEKPBSA-N	3	0	343.515	2.360	40	0		EEABRP
CN1CCC[N@H+](CCc2ccccc2)CCN(C)CCC[NH+](C)CC1	ZINC000068605156	215323612	/nfs/dbraw/zinc/32/36/12/215323612.db2.gz	WICRZHSKULXTFM-UHFFFAOYSA-N	2	0	346.563	2.120	40	0		EEABRP
COc1ccc(C)cc1CC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1	ZINC000012360958	211355355	/nfs/dbraw/zinc/35/53/55/211355355.db2.gz	SNWOFQONSXOKPW-UHFFFAOYSA-N	2	0	347.503	2.031	40	0		EEABRP
Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218362450	281006932	/nfs/dbraw/zinc/00/69/32/281006932.db2.gz	WDKGXTJYRVGMQN-ZWKOTPCHSA-N	2	0	344.480	2.147	40	0		EEABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2	ZINC000096220911	463217563	/nfs/dbraw/zinc/21/75/63/463217563.db2.gz	OYCVAVGIFQBDGV-IBGZPJMESA-N	2	0	345.487	2.316	40	0		EEABRP
C[NH+](C)Cc1cnc(CC2CC[NH+](Cc3cncs3)CC2)cn1	ZINC000257282513	463759795	/nfs/dbraw/zinc/75/97/95/463759795.db2.gz	OTZZPAXJFJAXHL-UHFFFAOYSA-N	2	0	331.489	2.449	40	0		EEABRP
C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1	ZINC000113952746	462618644	/nfs/dbraw/zinc/61/86/44/462618644.db2.gz	ZUVYSTISDVTSNW-UHFFFAOYSA-N	2	0	333.451	2.248	40	0		EEABRP
Cn1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cn1	ZINC000096071136	463165471	/nfs/dbraw/zinc/16/54/71/463165471.db2.gz	TXGPSGKMVAVGNS-UHFFFAOYSA-N	2	0	325.460	2.303	40	0		EEABRP
Cc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)c(Br)c1	ZINC000096483920	463282566	/nfs/dbraw/zinc/28/25/66/463282566.db2.gz	BJSIXCLTQPCAEO-UHFFFAOYSA-N	2	0	340.309	2.485	40	0		EEABRP
O=C(NCCc1cccs1)[C@H]1C[N@H+](CC2CC2)Cc2cncn21	ZINC000247464185	464682544	/nfs/dbraw/zinc/68/25/44/464682544.db2.gz	CAYSBGGGIHNWSP-MRXNPFEDSA-N	2	0	330.457	2.070	40	0		EEABRP
C[C@H]1[NH2+]CCCN(CC[NH+](C)C)CCC[NH2+][C@H](C)c2cccc1n2	ZINC000022594925	300568280	/nfs/dbraw/zinc/56/82/80/300568280.db2.gz	OZFJFCNWGUGNES-IAGOWNOFSA-N	3	0	333.524	2.040	40	0		EEABRP
Cn1cc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccco4)CO3)CC2)cn1	ZINC000096048004	463151599	/nfs/dbraw/zinc/15/15/99/463151599.db2.gz	PFCMQPDUKVQWFP-KRWDZBQOSA-N	2	0	344.459	2.269	40	0		EEABRP
O=c1ccc2c(n1CC[NH+]1CCCC1)CC[N@H+](Cc1ccoc1)CC2	ZINC000096196707	463201823	/nfs/dbraw/zinc/20/18/23/463201823.db2.gz	HEXJSXVNDQFYGV-UHFFFAOYSA-N	2	0	341.455	2.138	40	0		EEABRP
COC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1	ZINC000096501248	463291385	/nfs/dbraw/zinc/29/13/85/463291385.db2.gz	RUJVCVFHSMLTAI-WBVHZDCISA-N	2	0	332.444	2.268	40	0		EEABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	ZINC000001682417	462585462	/nfs/dbraw/zinc/58/54/62/462585462.db2.gz	IZJXXWKXFRDZPG-UHFFFAOYSA-N	2	0	348.410	2.030	40	0		EEABRP
Nc1cc(CC[C@H]2CN(CCOc3ccccc3)CCO2)cc[nH+]1	ZINC000257337801	463784544	/nfs/dbraw/zinc/78/45/44/463784544.db2.gz	YULSXCVZPJGRBC-SFHVURJKSA-N	2	0	327.428	2.376	40	0		EEABRP
c1ncn2c1C[N@@H+](CC1CCOCC1)C[C@@H]2COCc1ccncc1	ZINC000263621722	464135630	/nfs/dbraw/zinc/13/56/30/464135630.db2.gz	BYICZFIPYPVNKA-LJQANCHMSA-N	2	0	342.443	2.278	40	0		EEABRP
C[NH+](C)CC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21	ZINC000248143187	464734522	/nfs/dbraw/zinc/73/45/22/464734522.db2.gz	UVDQPDATRPZFOH-MRXNPFEDSA-N	2	0	328.416	2.120	40	0		EEABRP
O[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1(O)CCCC1	ZINC000930437054	1206557680	/nfs/dbraw/zinc/55/76/80/1206557680.db2.gz	BIYDBCVMOKGXBW-IBGZPJMESA-N	2	0	341.455	2.023	40	0		EEABRP
CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)C[NH+](CC)CC)cc1	ZINC000004536994	210215021	/nfs/dbraw/zinc/21/50/21/210215021.db2.gz	AAPGHVXMZHRSOM-UHFFFAOYSA-N	2	0	349.475	2.466	40	0		EEABRP
[NH3+]CCCOc1ccc(C(=O)N2CC[C@H]3[NH2+]CCCC[C@H]3C2)cc1	ZINC000257281551	463760545	/nfs/dbraw/zinc/76/05/45/463760545.db2.gz	OPSZSWRTJSYKGZ-FUHWJXTLSA-N	2	0	331.460	2.018	40	0		EEABRP
CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195560322	464075564	/nfs/dbraw/zinc/07/55/64/464075564.db2.gz	LOQLKIUWMZZKFG-GBESFXJTSA-N	2	0	344.503	2.100	40	0		EEABRP
CC(C)[C@H](O)C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](O)C(C)C)C2)C1	ZINC000366586759	280345795	/nfs/dbraw/zinc/34/57/95/280345795.db2.gz	AWBYNCSPTOKVKS-PWCSWUJKSA-N	2	0	326.525	2.198	40	0		EEABRP
CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)CC1	ZINC000096048841	463153591	/nfs/dbraw/zinc/15/35/91/463153591.db2.gz	WYWBHDXVTJYBIB-KRWDZBQOSA-N	2	0	335.517	2.119	40	0		EEABRP
COc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](CC(=O)N(C)C)CC3)c1	ZINC000096088819	463170130	/nfs/dbraw/zinc/17/01/30/463170130.db2.gz	BGOZZKOQZMOVKM-UHFFFAOYSA-N	2	0	345.487	2.071	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H]([NH2+]Cc1cccc(F)c1)C2	ZINC000096189646	463201679	/nfs/dbraw/zinc/20/16/79/463201679.db2.gz	XASALVVGVOFDDN-SFHVURJKSA-N	2	0	343.446	2.196	40	0		EEABRP
CC(C)[NH+]1CCC(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000097238305	463352107	/nfs/dbraw/zinc/35/21/07/463352107.db2.gz	LOMFHRMXPGMHOD-VQTJNVASSA-N	2	0	331.504	2.084	40	0		EEABRP
C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2	ZINC000252585965	464983844	/nfs/dbraw/zinc/98/38/44/464983844.db2.gz	MMEZOPIAQKQLAW-BPQIPLTHSA-N	2	0	346.471	2.437	40	0		EEABRP
CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2	ZINC000181456189	527838162	/nfs/dbraw/zinc/83/81/62/527838162.db2.gz	INUWZQHDUYOXLF-QZTJIDSGSA-N	2	0	344.503	2.271	40	0		EEABRP
Cc1cccc(C[N@@H+]2CCC[C@]3(C[C@H](C[NH+]4CCOCC4)CO3)C2)n1	ZINC000096075585	463168427	/nfs/dbraw/zinc/16/84/27/463168427.db2.gz	WAUJAMRVEFMVGK-QUCCMNQESA-N	2	0	345.487	2.093	40	0		EEABRP
COCC[N@H+](C)C[C@H]1CO[C@]2(C1)CCC[NH+](Cc1cccc(C)n1)C2	ZINC000248029022	464724626	/nfs/dbraw/zinc/72/46/26/464724626.db2.gz	SQBBBTJPPHPKKK-ICSRJNTNSA-N	2	0	347.503	2.339	40	0		EEABRP
CC(C)[C@H]([NH3+])C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1	ZINC000079404770	217220000	/nfs/dbraw/zinc/22/00/00/217220000.db2.gz	HTPIXMZDHMKSNX-HKUYNNGSSA-N	2	0	329.488	2.483	40	0		EEABRP
COc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+](C)C)O3)C2)cc1	ZINC000096052291	463156494	/nfs/dbraw/zinc/15/64/94/463156494.db2.gz	XZPJVHXPMILBAX-OALUTQOASA-N	2	0	334.460	2.007	40	0		EEABRP
CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2	ZINC000096157590	463189088	/nfs/dbraw/zinc/18/90/88/463189088.db2.gz	KNMLJQCAGAIJCF-UHFFFAOYSA-N	2	0	333.451	2.202	40	0		EEABRP
Cc1ccc(C[N@H+]2C[C@H](OCC3CC[NH+](C)CC3)[C@H]3COC[C@H]32)o1	ZINC000096064171	463162825	/nfs/dbraw/zinc/16/28/25/463162825.db2.gz	CBJYANLENOPUAL-OTWHNJEPSA-N	2	0	334.460	2.146	40	0		EEABRP
O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@H]([NH2+]Cc1ccoc1)C2	ZINC000096189765	285222451	/nfs/dbraw/zinc/22/24/51/285222451.db2.gz	IRKZKVRFSYRHEA-SFHVURJKSA-N	2	0	341.455	2.184	40	0		EEABRP
C[C@@H]1C[N@@H+](CCC2CC[NH+](CCc3ccnn3C)CC2)C[C@H](C)O1	ZINC000253420898	465008742	/nfs/dbraw/zinc/00/87/42/465008742.db2.gz	NHOKFWSENYMFID-CALCHBBNSA-N	2	0	334.508	2.174	40	0		EEABRP
O=c1ccc2c(n1CC[NH+]1CCCC1)CC[C@H]([NH2+]Cc1ccco1)C2	ZINC000096189763	463201920	/nfs/dbraw/zinc/20/19/20/463201920.db2.gz	XJUBEQTWUUFWRG-KRWDZBQOSA-N	2	0	341.455	2.184	40	0		EEABRP
CC(C)[NH+]1CCC(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000097238307	463352880	/nfs/dbraw/zinc/35/28/80/463352880.db2.gz	LOMFHRMXPGMHOD-WOJBJXKFSA-N	2	0	331.504	2.084	40	0		EEABRP
CC[NH+](CC)CCC[NH2+][C@@H]1CCN(Cc2ccccc2F)C[C@H]1O	ZINC000057742195	463516422	/nfs/dbraw/zinc/51/64/22/463516422.db2.gz	UOSFCEGAHPFYKS-RTBURBONSA-N	2	0	337.483	2.082	40	0		EEABRP
c1csc(C[N@H+]2CCOC[C@@]3(C[C@H](C[NH+]4CCCC4)CO3)C2)c1	ZINC000096052012	463155342	/nfs/dbraw/zinc/15/53/42/463155342.db2.gz	YANOCVUOIJRALB-SJLPKXTDSA-N	2	0	336.501	2.451	40	0		EEABRP
c1nc2n(c1C[NH+]1CCCCC1)CC[N@@H+](Cc1cccnc1)CC2	ZINC000096196886	463203008	/nfs/dbraw/zinc/20/30/08/463203008.db2.gz	QKRCYAKCOHYMBD-UHFFFAOYSA-N	2	0	325.460	2.322	40	0		EEABRP
CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218409129	276691785	/nfs/dbraw/zinc/69/17/85/276691785.db2.gz	CLHGLAFITPAZDJ-ROUUACIJSA-N	2	0	344.480	2.093	40	0		EEABRP
CN1CC[NH+]([C@H]2COC3(C2)CC[NH+](Cc2ccsc2)CC3)CC1	ZINC000096048840	463153587	/nfs/dbraw/zinc/15/35/87/463153587.db2.gz	WYWBHDXVTJYBIB-QGZVFWFLSA-N	2	0	335.517	2.119	40	0		EEABRP
C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1	ZINC000097101612	463323839	/nfs/dbraw/zinc/32/38/39/463323839.db2.gz	NKXHMPSNPVVMJO-OALUTQOASA-N	2	0	344.503	2.244	40	0		EEABRP
C[C@H]1C[NH+](CCC2CC[NH+](CCc3ccnn3C)CC2)C[C@H](C)O1	ZINC000253420904	465009246	/nfs/dbraw/zinc/00/92/46/465009246.db2.gz	NHOKFWSENYMFID-IRXDYDNUSA-N	2	0	334.508	2.174	40	0		EEABRP
CC(=O)OCCN1CCC[NH2+][C@H](C)c2cccc(n2)[C@@H](C)[NH2+]CCC1	ZINC000068605080	463158891	/nfs/dbraw/zinc/15/88/91/463158891.db2.gz	LUBYKOJZLDGIEM-HZPDHXFCSA-N	2	0	348.491	2.042	40	0		EEABRP
c1c[nH]c(C[NH+]2CCC3(CC2)COCCN(CC[NH+]2CCCC2)C3)c1	ZINC000096239869	463224348	/nfs/dbraw/zinc/22/43/48/463224348.db2.gz	GLBQPZWALWEZAC-UHFFFAOYSA-N	2	0	346.519	2.025	40	0		EEABRP
CC(C)[NH+]1CCC(Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1	ZINC000195557891	464076202	/nfs/dbraw/zinc/07/62/02/464076202.db2.gz	WWFKXDKTWPJPPC-LJQANCHMSA-N	2	0	344.503	2.421	40	0		EEABRP
CN(Cc1ccccn1)[C@H]1CO[C@@]2(CC[N@H+](Cc3ccncc3)C2)C1	ZINC000248122883	464732857	/nfs/dbraw/zinc/73/28/57/464732857.db2.gz	NPCSWIDYDJIEDJ-UXHICEINSA-N	2	0	338.455	2.342	40	0		EEABRP
[NH3+][C@@H]1CCCN(C(=O)C[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)C1	ZINC000096268128	295301750	/nfs/dbraw/zinc/30/17/50/295301750.db2.gz	ZZSQULJUTHCYGS-HZPDHXFCSA-N	2	0	343.471	2.015	40	0		EEABRP
COc1cccc(CCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1	ZINC000096424370	463254941	/nfs/dbraw/zinc/25/49/41/463254941.db2.gz	WIGKUFFABFMUPH-LJQANCHMSA-N	2	0	331.504	2.340	40	0		EEABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000248164501	464735428	/nfs/dbraw/zinc/73/54/28/464735428.db2.gz	ZBKGURVMTXYGPJ-INIZCTEOSA-N	2	0	332.444	2.206	40	0		EEABRP
Nc1cc(CC[C@@H]2CN(CCOc3ccccc3)CCO2)cc[nH+]1	ZINC000257337800	463783860	/nfs/dbraw/zinc/78/38/60/463783860.db2.gz	YULSXCVZPJGRBC-GOSISDBHSA-N	2	0	327.428	2.376	40	0		EEABRP
Cn1ncc(C(=O)OC(C)(C)C)c1C[NH2+]CC1(C)CC[NH+](C)CC1	ZINC000585141058	468990089	/nfs/dbraw/zinc/99/00/89/468990089.db2.gz	OLMGNNBGAAIORS-UHFFFAOYSA-N	2	0	336.480	2.197	40	0		EEABRP
CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1	ZINC000252476775	464957625	/nfs/dbraw/zinc/95/76/25/464957625.db2.gz	BEXBXLGHZUUJGD-BZSNNMDCSA-N	2	0	336.524	2.233	40	0		EEABRP
CSCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000167391758	463662309	/nfs/dbraw/zinc/66/23/09/463662309.db2.gz	SJZDBRWXKUUHKV-HOTGVXAUSA-N	2	0	327.538	2.181	40	0		EEABRP
COc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cc1	ZINC000096157742	463189014	/nfs/dbraw/zinc/18/90/14/463189014.db2.gz	KBTUCIGQTXRAOZ-UHFFFAOYSA-N	2	0	345.487	2.071	40	0		EEABRP
c1ccc(N2CCN(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)nc1	ZINC000252484448	464962300	/nfs/dbraw/zinc/96/23/00/464962300.db2.gz	FWNSVPGEGWISPK-LJQANCHMSA-N	2	0	344.503	2.237	40	0		EEABRP
C[N@@H+]1CCC[C@H](CNC(=O)c2ncccc2-c2cccc(C[NH3+])c2)C1	ZINC000257223030	536386784	/nfs/dbraw/zinc/38/67/84/536386784.db2.gz	DVOQQGFJHAVLMG-MRXNPFEDSA-N	2	0	338.455	2.279	40	0		EEABRP
COc1ccc(C[NH2+]Cc2ccccc2N2CC[NH+](C)CC2)cc1O	ZINC000078553875	217074532	/nfs/dbraw/zinc/07/45/32/217074532.db2.gz	QZUIWBYIIDXMGW-UHFFFAOYSA-N	2	0	341.455	2.442	40	0		EEABRP
COCC[N@@H+]1C[C@H](COC)C2(C1)CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585102965	468970703	/nfs/dbraw/zinc/97/07/03/468970703.db2.gz	KCFACDMUUVGMKK-QGZVFWFLSA-N	2	0	336.476	2.395	40	0		EEABRP
COc1ccc(C[NH2+]CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000012489385	211393555	/nfs/dbraw/zinc/39/35/55/211393555.db2.gz	XHIDEXZXYXIKAG-YZVOILCLSA-N	2	0	336.476	2.275	40	0		EEABRP
C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnn(C)c1	ZINC000096477215	463280399	/nfs/dbraw/zinc/28/03/99/463280399.db2.gz	FBLOCCIYHYOSFY-OAHLLOKOSA-N	2	0	328.460	2.228	40	0		EEABRP
O[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1(O)CCCC1	ZINC000930437058	1206557629	/nfs/dbraw/zinc/55/76/29/1206557629.db2.gz	BIYDBCVMOKGXBW-LJQANCHMSA-N	2	0	341.455	2.023	40	0		EEABRP
CSCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1	ZINC000167391542	295604346	/nfs/dbraw/zinc/60/43/46/295604346.db2.gz	SJZDBRWXKUUHKV-CVEARBPZSA-N	2	0	327.538	2.181	40	0		EEABRP
Cc1cccc(C[N@@H+]2CCC[C@@]3(C[C@@H](C[NH+]4CCOCC4)CO3)C2)n1	ZINC000107790497	463583178	/nfs/dbraw/zinc/58/31/78/463583178.db2.gz	WAUJAMRVEFMVGK-AZUAARDMSA-N	2	0	345.487	2.093	40	0		EEABRP
O[C@H]1C[N@@H+](C2CCOCC2)CC[C@@]12CCC[NH+]2CCc1ccccc1	ZINC000257273474	244385197	/nfs/dbraw/zinc/38/51/97/244385197.db2.gz	NGSNCZMQENSTQN-SFTDATJTSA-N	2	0	344.499	2.309	40	0		EEABRP
Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)cc1	ZINC000096062894	463162933	/nfs/dbraw/zinc/16/29/33/463162933.db2.gz	MVEYDPHNLYDMOK-UHFFFAOYSA-N	2	0	329.488	2.371	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cccc(F)c1)C2	ZINC000096189647	463201624	/nfs/dbraw/zinc/20/16/24/463201624.db2.gz	XASALVVGVOFDDN-GOSISDBHSA-N	2	0	343.446	2.196	40	0		EEABRP
CC(C)[N@H+](C)CCCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1	ZINC000252476776	464957198	/nfs/dbraw/zinc/95/71/98/464957198.db2.gz	BEXBXLGHZUUJGD-KSZLIROESA-N	2	0	336.524	2.233	40	0		EEABRP
CC(C)[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](C[C@@H](O)C(C)C)C2)C1	ZINC000366586757	465818219	/nfs/dbraw/zinc/81/82/19/465818219.db2.gz	AWBYNCSPTOKVKS-CEXWTWQISA-N	2	0	326.525	2.198	40	0		EEABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+]([C@@H]1CCOC1)CC2	ZINC000096051798	277250283	/nfs/dbraw/zinc/25/02/83/277250283.db2.gz	ZHGHOJCZMQELQS-MOPGFXCFSA-N	2	0	345.487	2.173	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H]([NH2+]Cc1cccs1)C2	ZINC000096189629	463201974	/nfs/dbraw/zinc/20/19/74/463201974.db2.gz	KDZGWJIHRVHAIN-OAHLLOKOSA-N	2	0	331.485	2.119	40	0		EEABRP
Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218362298	292280413	/nfs/dbraw/zinc/28/04/13/292280413.db2.gz	WDKGXTJYRVGMQN-ROUUACIJSA-N	2	0	344.480	2.147	40	0		EEABRP
Cn1cc(C[NH+]2CCC3(CC2)C[N@H+](Cc2ccccc2)CCO3)cn1	ZINC000096048950	463152615	/nfs/dbraw/zinc/15/26/15/463152615.db2.gz	GWRBTWUBFOJLRH-UHFFFAOYSA-N	2	0	340.471	2.287	40	0		EEABRP
COc1ccc(C[N@@H+]2CC[C@@H]3O[C@@H](COCC[NH+](C)C)CC[C@@H]32)cc1	ZINC000096186674	463198871	/nfs/dbraw/zinc/19/88/71/463198871.db2.gz	JWRXWRIUDSWRKE-AABGKKOBSA-N	2	0	348.487	2.395	40	0		EEABRP
Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC1CC[NH+](C)CC1	ZINC000195560635	464077699	/nfs/dbraw/zinc/07/76/99/464077699.db2.gz	VWVVQTVTUABQLY-HXUWFJFHSA-N	2	0	331.504	2.300	40	0		EEABRP
c1coc(C[NH+]2CCC3(CC2)COCCN(CC[NH+]2CCCC2)C3)c1	ZINC000096239870	218713017	/nfs/dbraw/zinc/71/30/17/218713017.db2.gz	AUUWSYRKNFOMAP-UHFFFAOYSA-N	2	0	347.503	2.290	40	0		EEABRP
c1cncc(C[NH+]2CCC3(C[C@H](OCC[NH+]4CCCC4)CO3)CC2)c1	ZINC000096206941	463209890	/nfs/dbraw/zinc/20/98/90/463209890.db2.gz	AJINHRYOFKXQNC-IBGZPJMESA-N	2	0	345.487	2.318	40	0		EEABRP
COc1cccc(C[NH+]2CCC3(CCN(C(=O)C[NH+](C)C)C3)CC2)c1	ZINC000096157612	463188502	/nfs/dbraw/zinc/18/85/02/463188502.db2.gz	PITWAULIALXGLR-UHFFFAOYSA-N	2	0	345.487	2.071	40	0		EEABRP
CC(C)[NH2+]CCN(C(=N)C(=[NH2+])N(CC[NH2+]C(C)C)C(C)C)C(C)C	ZINC000005187780	462649414	/nfs/dbraw/zinc/64/94/14/462649414.db2.gz	GIRLDBKGDGWDKJ-UHFFFAOYSA-N	3	0	340.560	2.358	40	0		EEABRP
c1coc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC000096055160	463157075	/nfs/dbraw/zinc/15/70/75/463157075.db2.gz	WDMXKZXBEUZALZ-IEBWSBKVSA-N	2	0	327.428	2.398	40	0		EEABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](C1CCOCC1)CC2	ZINC000096220908	463218119	/nfs/dbraw/zinc/21/81/19/463218119.db2.gz	OYCVAVGIFQBDGV-LJQANCHMSA-N	2	0	345.487	2.316	40	0		EEABRP
CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C2(C[NH3+])C[NH3+])cc1	ZINC000218409062	273770633	/nfs/dbraw/zinc/77/06/33/273770633.db2.gz	CLHGLAFITPAZDJ-MSOLQXFVSA-N	2	0	344.480	2.093	40	0		EEABRP
C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+](Cc1ccsc1)CC2	ZINC000096196644	463202054	/nfs/dbraw/zinc/20/20/54/463202054.db2.gz	ISZYQUVJGURXGI-UHFFFAOYSA-N	2	0	331.485	2.072	40	0		EEABRP
CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cccc(O)c2)CC1	ZINC000080373762	217300075	/nfs/dbraw/zinc/30/00/75/217300075.db2.gz	YGXZKRCJIOORIT-UHFFFAOYSA-N	2	0	333.476	2.109	40	0		EEABRP
Cc1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+]4CCCC4)C(=O)[C@H]3C2)s1	ZINC000096245054	463225513	/nfs/dbraw/zinc/22/55/13/463225513.db2.gz	SVCSQVXACPZSTD-RDJZCZTQSA-N	2	0	333.501	2.043	40	0		EEABRP
C[C@H](C[NH2+]Cc1sccc1Br)CN1CC[NH+](C)CC1	ZINC000097378290	463357084	/nfs/dbraw/zinc/35/70/84/463357084.db2.gz	JYPGJDNNCPGLIS-GFCCVEGCSA-N	2	0	346.338	2.484	40	0		EEABRP
Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ccc1Br	ZINC000073852444	463662762	/nfs/dbraw/zinc/66/27/62/463662762.db2.gz	DBSDTPKFHMQXRS-UHFFFAOYSA-N	2	0	340.309	2.485	40	0		EEABRP
Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1	ZINC000078553290	217075507	/nfs/dbraw/zinc/07/55/07/217075507.db2.gz	VZNQOJMXJMRDAV-CQSZACIVSA-N	2	0	331.439	2.460	40	0		EEABRP
C[C@@H]1[NH2+]CCCN(CC[NH+](C)C)CCC[NH2+][C@@H](C)c2cccc1n2	ZINC000022594920	288846029	/nfs/dbraw/zinc/84/60/29/288846029.db2.gz	OZFJFCNWGUGNES-IRXDYDNUSA-N	3	0	333.524	2.040	40	0		EEABRP
C[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1	ZINC000097235632	219002196	/nfs/dbraw/zinc/00/21/96/219002196.db2.gz	WIDMVUXUAXBYQQ-GOSISDBHSA-N	2	0	337.895	2.431	40	0		EEABRP
c1ccc(N2CCN(C3CC[NH+](C4CCOCC4)CC3)CC2)cc1	ZINC000245060689	464467224	/nfs/dbraw/zinc/46/72/24/464467224.db2.gz	PWCXGVDCZSIBRI-UHFFFAOYSA-N	2	0	329.488	2.452	40	0		EEABRP
O=C(NCCc1cccs1)[C@@H]1C[N@H+](CC2CC2)Cc2cncn21	ZINC000247464177	464682845	/nfs/dbraw/zinc/68/28/45/464682845.db2.gz	CAYSBGGGIHNWSP-INIZCTEOSA-N	2	0	330.457	2.070	40	0		EEABRP
CNC(=O)C[NH+]1CCC(Nc2c(C)c(C)[nH+]c3ccccc32)CC1	ZINC000096501975	218878042	/nfs/dbraw/zinc/87/80/42/218878042.db2.gz	NALXMPOTFPRETA-UHFFFAOYSA-N	2	0	326.444	2.474	40	0		EEABRP
OC[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1	ZINC000013266554	462888720	/nfs/dbraw/zinc/88/87/20/462888720.db2.gz	VSHOGFAZZDQOBZ-AWEZNQCLSA-N	2	0	328.460	2.234	40	0		EEABRP
OC[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1	ZINC000013266553	462889551	/nfs/dbraw/zinc/88/95/51/462889551.db2.gz	VSHOGFAZZDQOBZ-CQSZACIVSA-N	2	0	328.460	2.234	40	0		EEABRP
CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2	ZINC000181456155	527942321	/nfs/dbraw/zinc/94/23/21/527942321.db2.gz	INUWZQHDUYOXLF-ZWKOTPCHSA-N	2	0	344.503	2.271	40	0		EEABRP
CC[NH+](CC)CCCNc1ncnc(NCCC[NH+](CC)CC)n1	ZINC000004691967	210249531	/nfs/dbraw/zinc/24/95/31/210249531.db2.gz	PELDQJVMKFDUFZ-UHFFFAOYSA-N	2	0	337.516	2.159	40	0		EEABRP
C[NH+](C)CCN1CCOCC2(CC[NH+](Cc3cccs3)CC2)C1	ZINC000096239844	463224299	/nfs/dbraw/zinc/22/42/99/463224299.db2.gz	NITIJIWQNYSTIV-UHFFFAOYSA-N	2	0	337.533	2.224	40	0		EEABRP
Cc1nc[nH]c1C[NH+]1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1	ZINC000257234823	244226366	/nfs/dbraw/zinc/22/63/66/244226366.db2.gz	GVGJNFVAOUDXQO-UHFFFAOYSA-N	2	0	328.464	2.024	40	0		EEABRP
Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC1CC[NH+](C)CC1	ZINC000195560638	323514669	/nfs/dbraw/zinc/51/46/69/323514669.db2.gz	VWVVQTVTUABQLY-FQEVSTJZSA-N	2	0	331.504	2.300	40	0		EEABRP
CN1CC[NH+]([C@@H]2COC3(C2)CC[NH+](Cc2ccc(F)cc2)CC3)CC1	ZINC000096048847	463153162	/nfs/dbraw/zinc/15/31/62/463153162.db2.gz	DIUUISAIHRPCCU-IBGZPJMESA-N	2	0	347.478	2.197	40	0		EEABRP
c1cncc(C[NH+]2CCC3(C[C@@H](OCC[NH+]4CCCC4)CO3)CC2)c1	ZINC000096206942	463210560	/nfs/dbraw/zinc/21/05/60/463210560.db2.gz	AJINHRYOFKXQNC-LJQANCHMSA-N	2	0	345.487	2.318	40	0		EEABRP
CNc1cc(C)[nH+]c([C@H]2CN(C(=O)C[N@H+](C)C3CCCC3)CCO2)c1	ZINC000257332812	463781079	/nfs/dbraw/zinc/78/10/79/463781079.db2.gz	XYUCVWVOIGMSLT-GOSISDBHSA-N	2	0	346.475	2.206	40	0		EEABRP