smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2F)C1	ZINC000045387692	205096517	/nfs/dbraw/zinc/09/65/17/205096517.db2.gz	NYKJRMYPHXXYDN-UHFFFAOYSA-N	1	0	385.374	1.903	1	0		GDAFRO
Nc1ncnc(N2CCN(C(=O)[C@H]([NH3+])Cc3ccc(Cl)cc3)CC2)c1Cl	ZINC000103238978	136190906	/nfs/dbraw/zinc/19/09/06/136190906.db2.gz	SSFWFZBIPWHUFP-CYBMUJFWSA-N	1	0	395.294	1.584	1	0		GDAFRO
CO[C@@H]1C[C@@]2(O)[C@@H]3[C@@H](C[C@H]1[C@@H]3O)[C@]13[C@@H]4C[C@H]2[C@H]1[N@H+](C)C[C@]4(C)CC[C@@H]3OC	ZINC000095912840	291109710	/nfs/dbraw/zinc/10/97/10/291109710.db2.gz	YIHZSQICLBOGGK-YISBXEQFSA-N	1	0	377.525	1.515	1	0	biogenic,in-vitro	GDAFRO
Cn1cc(-c2cnn3c2nc([C@@H]2C[NH2+]CCO2)c(Br)c3N)cn1	ZINC000060329715	205179639	/nfs/dbraw/zinc/17/96/39/205179639.db2.gz	IAWHQRAHQNMAIL-JTQLQIEISA-N	1	0	378.234	1.135	1	0		GDAFRO
CC[NH+](CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@]21CCOC(C)(C)C1	ZINC000096909509	205575654	/nfs/dbraw/zinc/57/56/54/205575654.db2.gz	RUBCZWKSDRVYSW-XOBRGWDASA-N	1	0	378.469	1.506	1	0		GDAFRO
C[N@@H+]1CC[C@]23c4cccc(O)c4N4C(=O)C[C@H]5OCC=C(C1)[C@@H](CC2=O)[C@H]5[C@@H]43	ZINC000001319405	291108048	/nfs/dbraw/zinc/10/80/48/291108048.db2.gz	ZMTYENXGROJCEA-QXASYSHZSA-N	1	0	380.444	1.615	1	0	biogenic,in-vitro	GDAFRO
COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4C[N@@H+]5CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@]56O	ZINC000085508560	291110628	/nfs/dbraw/zinc/11/06/28/291110628.db2.gz	INVSLAPXYYHYAD-FCGMOTLLSA-N	1	0	380.444	1.421	1	0	biogenic,in-vitro	GDAFRO
C[NH+](C)CCN1C(=O)CC[C@H](N2C(=O)c3ccc4ccccc4c3C2=O)C1=O	ZINC000049111847	205127241	/nfs/dbraw/zinc/12/72/41/205127241.db2.gz	NRRIFMPGFBRLCG-INIZCTEOSA-N	1	0	379.416	1.515	1	0		GDAFRO
O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-c2cnc3ccc(NCCO)nn32)cc1	ZINC000058590781	205176780	/nfs/dbraw/zinc/17/67/80/205176780.db2.gz	MGNSUPXUXVZWOI-INIZCTEOSA-N	1	0	380.452	1.282	1	0		GDAFRO
CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@@H]1O5	ZINC000061947366	205184337	/nfs/dbraw/zinc/18/43/37/205184337.db2.gz	QNVKCXXNTZQSAE-VKDDMEKFSA-N	1	0	384.476	1.461	3	0		GDAFRO
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C1=O	ZINC000064645802	205192561	/nfs/dbraw/zinc/19/25/61/205192561.db2.gz	TZSLNDLHJXLCDV-DOXZYTNZSA-N	1	0	396.491	1.882	1	0		GDAFRO
O=c1[nH]nc2cc(C[NH+]3CCN(CCO)CC3)c3ccc(-c4ccc[nH]4)cc3n12	ZINC000084602835	205395271	/nfs/dbraw/zinc/39/52/71/205395271.db2.gz	HQJHWABNLMSPPF-UHFFFAOYSA-N	1	0	392.463	1.281	1	0		GDAFRO
CC[C@]12C=CC[N@@H+]3CC[C@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32	ZINC000085490111	291107646	/nfs/dbraw/zinc/10/76/46/291107646.db2.gz	HVBGZKVTJLINJW-YGFCNAKASA-N	1	0	384.476	1.062	1	0	biogenic,in-vitro	GDAFRO
Cn1cc(-c2cnn3c2nc([C@H]2C[NH2+]CCS2)c(Br)c3N)cn1	ZINC000060329718	205179445	/nfs/dbraw/zinc/17/94/45/205179445.db2.gz	MGCHCKUUSGHSES-SNVBAGLBSA-N	1	0	394.302	1.852	1	0		GDAFRO
CN(CC[N@@H+]1CCc2ccccc2C1)c1nc2nonc2nc1N1CCOCC1	ZINC000012072436	221146130	/nfs/dbraw/zinc/14/61/30/221146130.db2.gz	LDOLVWRKTRVDJU-UHFFFAOYSA-N	1	0	395.467	1.344	1	0		GDAFRO
O=C([C@@H]1C[C@H](N2CCN(c3nccc4ccccc43)CC2)C[NH2+]1)N1CCSC1	ZINC000084690172	136175197	/nfs/dbraw/zinc/17/51/97/136175197.db2.gz	SPCPLKKMSDUWTB-HKUYNNGSSA-N	1	0	397.548	1.620	1	0		GDAFRO
C[NH+]1CCC(N2CCC[C@@H](NC(=O)COc3ncnc4ccccc43)C2)CC1	ZINC000011933708	204362765	/nfs/dbraw/zinc/36/27/65/204362765.db2.gz	GWRPDQNCWZNBDF-MRXNPFEDSA-N	1	0	383.496	1.683	1	0		GDAFRO
CC(C)[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1	ZINC000059201496	205177990	/nfs/dbraw/zinc/17/79/90/205177990.db2.gz	BZRZRUVRSNGCQS-BHYGNILZSA-N	1	0	375.469	1.209	1	0		GDAFRO
O=C([C@@H]1C[C@H](N2CCN(c3ccc4ccccc4n3)CC2)C[NH2+]1)N1CCSC1	ZINC000084687926	136175119	/nfs/dbraw/zinc/17/51/19/136175119.db2.gz	SSTVSRWQWWQPGX-HKUYNNGSSA-N	1	0	397.548	1.620	1	0		GDAFRO
Cc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12	ZINC000043178355	205081781	/nfs/dbraw/zinc/08/17/81/205081781.db2.gz	BAYGQIFIHYGSEE-IBGZPJMESA-N	1	0	386.406	1.882	1	0		GDAFRO
C[NH2+]C[C@H]1Oc2c(NC(=O)C3CC3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C	ZINC000061947840	205184259	/nfs/dbraw/zinc/18/42/59/205184259.db2.gz	COTDYGDWXSSLGS-OGHNNQOOSA-N	1	0	375.469	1.475	3	0		GDAFRO
CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc(C5([NH3+])CC5)nc4)cc3OC[C@@H]12	ZINC000073196836	205355233	/nfs/dbraw/zinc/35/52/33/205355233.db2.gz	AJEVRRJYXPXVLD-WMZOPIPTSA-N	1	0	394.431	1.919	1	0		GDAFRO
Oc1cccc(-c2nc3c(ncn3C3CC[NH2+]CC3)c(N3CCOCC3)n2)c1	ZINC000045352202	132423248	/nfs/dbraw/zinc/42/32/48/132423248.db2.gz	ZNNJFEULXHWOFQ-UHFFFAOYSA-N	1	0	380.452	1.960	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc(C[C@@H]2CC[NH2+]C2)c(Br)c3N)cn1	ZINC000066111829	222137800	/nfs/dbraw/zinc/13/78/00/222137800.db2.gz	HQOHRPYSMVYMPJ-VIFPVBQESA-N	1	0	376.262	1.627	1	0		GDAFRO
CCOC(=O)c1[nH]c2ccc(CCN3C(=O)CNC3=O)cc2c1CC[NH+](C)C	ZINC000012356240	204399879	/nfs/dbraw/zinc/39/98/79/204399879.db2.gz	VUTJSJLMAPBIJY-UHFFFAOYSA-N	1	0	386.452	1.543	1	0		GDAFRO
[NH3+]C1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000013555166	204494532	/nfs/dbraw/zinc/49/45/32/204494532.db2.gz	NDXXIBJDVBVFKU-IADFQQGMSA-N	1	0	387.480	1.451	1	0		GDAFRO
O=S(=O)(NCCOCC[NH+]1CCCC1)c1cccc(Br)c1	ZINC000071319184	205281968	/nfs/dbraw/zinc/28/19/68/205281968.db2.gz	OOLXYTHLALLRIV-UHFFFAOYSA-N	1	0	377.304	1.840	1	0		GDAFRO
C[NH2+]C[C@@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O	ZINC000049036921	205125755	/nfs/dbraw/zinc/12/57/55/205125755.db2.gz	PKVDODLSCSUTRW-HNNXBMFYSA-N	1	0	377.466	1.869	1	0		GDAFRO
CN(C)C(=O)[C@@H]1SCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F	ZINC000066074886	205240011	/nfs/dbraw/zinc/24/00/11/205240011.db2.gz	GTOGOFVGSZGCHB-HWPZZCPQSA-N	1	0	375.416	1.354	1	0		GDAFRO
O=S(=O)(c1cccc2nonc21)n1ccc2ncc(N3CC[NH2+]CC3)cc21	ZINC000043019550	132415255	/nfs/dbraw/zinc/41/52/55/132415255.db2.gz	ALSKTUUSXXIMPF-UHFFFAOYSA-N	1	0	384.421	1.219	1	0		GDAFRO
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1	ZINC000026380503	581101563	/nfs/dbraw/zinc/10/15/63/581101563.db2.gz	JUEBXTMZTWBXDU-UHFFFAOYSA-N	1	0	382.420	1.930	1	0		GDAFRO
O=C(NCC[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cccc(F)n1	ZINC000072136720	205309136	/nfs/dbraw/zinc/30/91/36/205309136.db2.gz	WJVNXUODBVNUEF-UHFFFAOYSA-N	1	0	397.454	1.379	1	0		GDAFRO
Nc1c(Br)cc(C[C@H]2C[NH+]=C(N)N=C2N)cc1Br	ZINC000013757771	204512094	/nfs/dbraw/zinc/51/20/94/204512094.db2.gz	HXFKRMZVXALBOK-LURJTMIESA-N	1	0	375.068	1.638	1	0		GDAFRO
Oc1cccc(-c2cn3c(N4CC[NH2+]CC4)cnc3c(N3CCOCC3)n2)c1	ZINC000073295982	136171490	/nfs/dbraw/zinc/17/14/90/136171490.db2.gz	USXOIAOCDRONET-UHFFFAOYSA-N	1	0	380.452	1.348	1	0		GDAFRO
Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)NCC[NH+](C)C	ZINC000002459970	203945574	/nfs/dbraw/zinc/94/55/74/203945574.db2.gz	OQNBEWLAFSCVIN-UHFFFAOYSA-N	1	0	379.482	1.817	3	0		GDAFRO
CC(=O)N1C[C@@H](Oc2ccccn2)C[C@@H]1C(=O)N1CCC[N@@H+](C2CCC2)CC1	ZINC000049114477	205127264	/nfs/dbraw/zinc/12/72/64/205127264.db2.gz	AIJVNDQEJSKHQU-RBUKOAKNSA-N	1	0	386.496	1.537	1	0		GDAFRO
CNc1nc2[nH]c(-c3cccc(CNC(=O)C[NH2+]C)n3)cc2c2c1ncn2C	ZINC000073142079	205355862	/nfs/dbraw/zinc/35/58/62/205355862.db2.gz	SHCYCYSXWVGWBG-UHFFFAOYSA-N	1	0	378.440	1.389	1	0		GDAFRO
Cn1cc2c(n1)nc(NC(=O)NC1CC[NH2+]CC1)n1nc(-c3ccco3)nc21	ZINC000084689734	205398603	/nfs/dbraw/zinc/39/86/03/205398603.db2.gz	QLHXAPRRXSENQQ-UHFFFAOYSA-N	1	0	381.400	1.145	1	0		GDAFRO
NC(=[NH2+])N[C@@H]1Cc2ccccc2[C@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	ZINC000095556243	205497917	/nfs/dbraw/zinc/49/79/17/205497917.db2.gz	ICNIHLCRBSFIFO-HUUCEWRRSA-N	1	0	389.818	1.683	1	0	in-vitro	GDAFRO
CCOC(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH2+]CCNC(=O)c1cccc(OC)c1	ZINC000103227210	205643097	/nfs/dbraw/zinc/64/30/97/205643097.db2.gz	LZSUQSRRWDFZNS-VQFNDLOPSA-N	1	0	375.469	1.882	1	0		GDAFRO
[NH3+][C@H]1CN(c2ccc3nc(=O)ccn3n2)CC[C@@H]1c1cc(F)c(F)cc1F	ZINC000028707360	204880033	/nfs/dbraw/zinc/88/00/33/204880033.db2.gz	UFGSFEDSOYSQQP-BMIGLBTASA-N	1	0	375.354	1.828	1	0		GDAFRO
O[C@@]1(c2ccc3c(c2)OCO3)C[n+]2cccnc2N1Cc1ccc2c(c1)OCO2	ZINC000072112317	205305222	/nfs/dbraw/zinc/30/52/22/205305222.db2.gz	AWZQVWFBZWBGAR-OAQYLSRUSA-N	1	0	392.391	1.692	1	0		GDAFRO
C[NH+]1CCC(C(=O)N2Cc3c(NC(=O)c4ccncc4)n[nH]c3C2(C)C)CC1	ZINC000071315854	222180200	/nfs/dbraw/zinc/18/02/00/222180200.db2.gz	GQDHKYZSKSDSNQ-UHFFFAOYSA-N	1	0	382.468	1.976	1	0		GDAFRO
COCCn1c(=O)c(CCc2ccccc2)nc2cnc(N3CC[NH2+]CC3)nc21	ZINC000004238419	204034224	/nfs/dbraw/zinc/03/42/24/204034224.db2.gz	SBZHUGLIJXRCDH-UHFFFAOYSA-N	1	0	394.479	1.028	1	0		GDAFRO
Cn1c2nc(N)c(C[NH3+])c(-c3cc(Cl)ccc3Cl)c2c(=O)n(C)c1=O	ZINC000035967441	205000067	/nfs/dbraw/zinc/00/00/67/205000067.db2.gz	PVBIBWAMBOYUKT-UHFFFAOYSA-N	1	0	380.235	1.647	1	0		GDAFRO
O=C(c1ccnc(-n2cnnn2)c1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000039379990	205040703	/nfs/dbraw/zinc/04/07/03/205040703.db2.gz	NMBJNUDFQWSFKB-LJQANCHMSA-N	1	0	389.463	1.720	1	0		GDAFRO
C[C@@H](CO)Nc1nccc(N(CCCC[NH3+])C(=O)c2ccc3c(c2)CCO3)n1	ZINC000049069163	205125498	/nfs/dbraw/zinc/12/54/98/205125498.db2.gz	UACHXDGPYLLFOL-AWEZNQCLSA-N	1	0	385.468	1.590	1	0		GDAFRO
[NH3+][C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ncnc3ccccc32)CC1	ZINC000064549300	136156965	/nfs/dbraw/zinc/15/69/65/136156965.db2.gz	DNEJCIZFNVTEHA-GOSISDBHSA-N	1	0	379.439	1.988	1	0		GDAFRO
COc1cc2c(cc1O)[C@@H]1[C@H]3C(=CCC(=O)N23)[C@H]2C[C@@]13CC[N@@H+]3C/C2=C/CO	ZINC000103582014	291110139	/nfs/dbraw/zinc/11/01/39/291110139.db2.gz	COPZUYPRDIGNPJ-IPDXJSIVSA-N	1	0	380.444	1.926	1	0	biogenic,in-vitro	GDAFRO
CC(C)[C@@H]1C(=O)N(S(C)(=O)=O)[C@@H]2CCN(C(=O)C3C[NH+](CC(C)(C)C)C3)[C@H]21	ZINC000003940122	204022217	/nfs/dbraw/zinc/02/22/17/204022217.db2.gz	PDKMPCTWJJRYEQ-OWCLPIDISA-N	1	0	399.557	1.008	1	0		GDAFRO
CN1C(=O)C[C@@]2(C1=O)[C@@H](c1ccccc1O)C[N@H+](C)[C@@]21C(=O)Nc2ccccc21	ZINC000058582523	205176070	/nfs/dbraw/zinc/17/60/70/205176070.db2.gz	APSTTWYSZZMXTB-YDFBLROQSA-N	1	0	391.427	1.644	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc([C@H]2C[NH2+]CCO2)c(Br)c3N)cn1	ZINC000060329716	205179678	/nfs/dbraw/zinc/17/96/78/205179678.db2.gz	IAWHQRAHQNMAIL-SNVBAGLBSA-N	1	0	378.234	1.135	1	0		GDAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(NS(N)(=O)=O)c(Cl)cc1OC	ZINC000033857367	206303975	/nfs/dbraw/zinc/30/39/75/206303975.db2.gz	GHLVSRMYLMVGKV-JTQLQIEISA-N	1	0	390.893	1.178	1	0		GDAFRO
COc1cc2c(cc1OC)CC(=O)N(CCC[N@H+](C)CCn1ccnc1)CC2	ZINC000028019525	207335354	/nfs/dbraw/zinc/33/53/54/207335354.db2.gz	ANUNNMWUBHAOBD-UHFFFAOYSA-N	1	0	386.496	1.850	1	0		GDAFRO
Cc1c[nH]c(CN(C)Cc2cccc(OC[C@@H](O)C[NH+]3CCC(O)CC3)c2)n1	ZINC000015068605	208036097	/nfs/dbraw/zinc/03/60/97/208036097.db2.gz	UPWLPKNJFFGSJL-IBGZPJMESA-N	1	0	388.512	1.547	1	0		GDAFRO
[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3n[nH]cc32)CC1	ZINC000064540985	136156976	/nfs/dbraw/zinc/15/69/76/136156976.db2.gz	AQXDTXWXEJUGAT-OAHLLOKOSA-N	1	0	385.859	1.225	1	0		GDAFRO
C[NH+]1CCN(c2ccc3c(c2)OC[C@H](Cc2ccccc2)NS3(=O)=O)CC1	ZINC000095571421	136182248	/nfs/dbraw/zinc/18/22/48/136182248.db2.gz	HFJAWDKQINJQSP-KRWDZBQOSA-N	1	0	387.505	1.720	3	0		GDAFRO
COc1ccc2c(c1)[C@@]13CC[N@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@]43O	ZINC000006018794	291110639	/nfs/dbraw/zinc/11/06/39/291110639.db2.gz	IAXQXCLSCCGKFA-FCGMOTLLSA-N	1	0	380.444	1.421	1	0	biogenic,in-vitro	GDAFRO
Cc1c2c(cc3c(=O)cc(N4CCOCC4)oc13)C[C@H](CN1CC[NH+](C)CC1)O2	ZINC000026577587	207316564	/nfs/dbraw/zinc/31/65/64/207316564.db2.gz	MTZIYWWQZZWBRA-QGZVFWFLSA-N	1	0	399.491	1.489	1	0		GDAFRO
Cc1c(F)c(N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c2c1c(=O)n(N)c(=O)n2C1CC1	ZINC000028884652	207350447	/nfs/dbraw/zinc/35/04/47/207350447.db2.gz	CZCYAKDNGWYMBC-NWDGAFQWSA-N	1	0	375.448	1.141	1	0		GDAFRO
C[NH+]1CCN(c2ccc3c(c2)OC[C@@H](Cc2ccccc2)NS3(=O)=O)CC1	ZINC000095569836	136182197	/nfs/dbraw/zinc/18/21/97/136182197.db2.gz	HFJAWDKQINJQSP-QGZVFWFLSA-N	1	0	387.505	1.720	3	0		GDAFRO
CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@H](C)C2	ZINC000003789397	206292724	/nfs/dbraw/zinc/29/27/24/206292724.db2.gz	ITVVMWXAZTUXIL-HIFRSBDPSA-N	1	0	395.525	1.652	1	0	investigational	GDAFRO
Cc1cccc(CN2CCOc3ccc(CN4CC[NH+](CCO)CC4)cc3C2)n1	ZINC000019798572	207162134	/nfs/dbraw/zinc/16/21/34/207162134.db2.gz	CFPPRYCILMKCLK-UHFFFAOYSA-N	1	0	396.535	1.895	1	0		GDAFRO
COc1ccc(CNc2nc(NC[C@@H](O)C[NH3+])nc3c2ncn3C(C)C)cc1	ZINC000026404434	207313433	/nfs/dbraw/zinc/31/34/33/207313433.db2.gz	FMUNEYJNNXTMMG-AWEZNQCLSA-N	1	0	385.472	1.759	1	0		GDAFRO
COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2	ZINC000095914771	291110425	/nfs/dbraw/zinc/11/04/25/291110425.db2.gz	GBRMPBIZRSWCMZ-PWRODBHTSA-N	1	0	385.416	1.896	1	0	biogenic,in-vitro	GDAFRO
COc1ccc2c(c1)CC[N@H+]1C[C@H]3CCCN(S(=O)(=O)N(C)C)[C@H]3C[C@@H]21	ZINC000013820270	207001112	/nfs/dbraw/zinc/00/11/12/207001112.db2.gz	RTWRVWUGWAZWTR-MNEFBYGVSA-N	1	0	379.526	1.885	1	0		GDAFRO
O=C(NCCC[NH+]1CCCC1)c1nc(CS(=O)(=O)c2ccccc2)no1	ZINC000015786744	207062462	/nfs/dbraw/zinc/06/24/62/207062462.db2.gz	CVCKTEBQYWLLOL-UHFFFAOYSA-N	1	0	378.454	1.259	1	0		GDAFRO
CCCCNC(=O)NCC[NH2+]C[C@H](O)COc1ccc(-c2nc(C)c[nH]2)cc1	ZINC000026019727	207308687	/nfs/dbraw/zinc/30/86/87/207308687.db2.gz	LTSPETXJLSXLKS-KRWDZBQOSA-N	1	0	389.500	1.814	1	0		GDAFRO
COc1ccc2c3c1O[C@H]1C(=O)C[C@H](SCCO)[C@@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000027768116	207329614	/nfs/dbraw/zinc/32/96/14/207329614.db2.gz	NMFQLKQRGIBSRD-VSTVJLMKSA-N	1	0	375.490	1.637	1	0		GDAFRO
CO[C@]12C[C@H](O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5	ZINC000028824089	207350114	/nfs/dbraw/zinc/35/01/14/207350114.db2.gz	ILSVNVUECQFENV-LVQFCXJQSA-N	1	0	387.476	1.188	1	0		GDAFRO
NC(=[NH2+])c1ccc(CNC(=O)C[C@H]2OCCN(Nc3ccccc3)C2=O)cc1	ZINC000013526745	206978342	/nfs/dbraw/zinc/97/83/42/206978342.db2.gz	LMQCSKDKFQFEOO-QGZVFWFLSA-N	1	0	381.436	1.231	1	0		GDAFRO
Nn1c(=O)c2cc(Cl)c(N3CC[C@H](C[NH3+])C3)c(Cl)c2n(C2CC2)c1=O	ZINC000028884637	207350680	/nfs/dbraw/zinc/35/06/80/207350680.db2.gz	YGNPKMIIZKPZKU-MRVPVSSYSA-N	1	0	384.267	1.304	1	0		GDAFRO
[NH3+]CCOCn1cc(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O	ZINC000001617230	206387464	/nfs/dbraw/zinc/38/74/64/206387464.db2.gz	ZVAVHJJLDLPPMW-UHFFFAOYSA-N	1	0	381.432	1.639	1	0		GDAFRO
O=C(CN1CC[NH+](C2CCCC2)CC1)N1CCc2c3ccccc3c(=O)[nH]c2C1	ZINC000026502570	207315339	/nfs/dbraw/zinc/31/53/39/207315339.db2.gz	KEGCUSHZSAFYNP-UHFFFAOYSA-N	1	0	394.519	1.973	1	0		GDAFRO
C[NH+]1CCC(Nc2ccc3ncc(-c4cnn(-c5ncccn5)c4)n3n2)CC1	ZINC000096937463	208331113	/nfs/dbraw/zinc/33/11/13/208331113.db2.gz	CVNIKERQUWLOLF-UHFFFAOYSA-N	1	0	375.440	1.878	1	0		GDAFRO
CC(=O)N1c2ccccc2[C@]23CC[N@@H+](C)[C@H]2C[C@H]2C4=C(COC4=O)OC[C@H]2[C@H]13	ZINC000014611877	291106669	/nfs/dbraw/zinc/10/66/69/291106669.db2.gz	BCWMOGHIDAOVSN-YIULJTKISA-N	1	0	380.444	1.841	1	0	biogenic,in-vitro	GDAFRO
C[NH+](C)CCOc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-]	ZINC000028649566	207346089	/nfs/dbraw/zinc/34/60/89/207346089.db2.gz	JRSDGXOHBLGEPF-UHFFFAOYSA-N	1	0	399.192	1.061	1	0		GDAFRO
CC(C)N1CC2(CC[NH+](C[C@@H](O)[C@H]3COc4ccccc4O3)CC2)OC1=O	ZINC000028761339	207348320	/nfs/dbraw/zinc/34/83/20/207348320.db2.gz	AEEKDQDRCGMGMV-CRAIPNDOSA-N	1	0	376.453	1.883	1	0		GDAFRO
C=CC(=O)N[C@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@H]1O5	ZINC000040641615	207601931	/nfs/dbraw/zinc/60/19/31/207601931.db2.gz	TVKTWELUOXKCHA-VGCDLTRTSA-N	1	0	396.487	1.627	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc(C2CC[NH2+]CC2)c(Br)c3N)cn1	ZINC000066252744	207881453	/nfs/dbraw/zinc/88/14/53/207881453.db2.gz	NEALKBLXTUUQMA-UHFFFAOYSA-N	1	0	376.262	1.942	1	0		GDAFRO
CC(=O)Nc1cccc(-c2cc(N3CC[NH+](CCO)CC3)n3nccc3n2)c1	ZINC000061906146	136156030	/nfs/dbraw/zinc/15/60/30/136156030.db2.gz	ZVJNQGUGXVTZRR-UHFFFAOYSA-N	1	0	380.452	1.469	3	0		GDAFRO
C[NH+]1CCN(Cc2nnc3n2c2ccccc2c(=O)n3Cc2ccccc2)CC1	ZINC000028648723	207346533	/nfs/dbraw/zinc/34/65/33/207346533.db2.gz	YWLNCWTXPVDHAD-UHFFFAOYSA-N	1	0	388.475	1.840	1	0		GDAFRO
CC(C)([C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+])C1CC1	ZINC000028363758	207340377	/nfs/dbraw/zinc/34/03/77/207340377.db2.gz	XYVFQNRKUZAICD-IRXDYDNUSA-N	1	0	393.915	1.813	1	0		GDAFRO
CO[C@]12C[C@@H](O)[C@@]3(C[C@@H]1[C@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5	ZINC000028824086	207350214	/nfs/dbraw/zinc/35/02/14/207350214.db2.gz	ILSVNVUECQFENV-KCCYETIFSA-N	1	0	387.476	1.188	1	0		GDAFRO
CC(C)[NH2+]C[C@@H](O)CN1C(=O)N/C(=C\c2ccc(Br)cc2)C1=O	ZINC000095597492	208237252	/nfs/dbraw/zinc/23/72/52/208237252.db2.gz	HESDMJCLNKTUDL-CRMJKIRDSA-N	1	0	382.258	1.701	1	0		GDAFRO
CS(=O)(=O)Nc1ccc(C(=O)NC[C@H]2CN(c3ccccc3)CC[NH2+]2)cc1	ZINC000049925428	136177593	/nfs/dbraw/zinc/17/75/93/136177593.db2.gz	GIUNEOHGDSNUIQ-KRWDZBQOSA-N	1	0	388.493	1.266	1	0		GDAFRO
c1ccc2c(c1)CC(Oc1nc(Nc3ccncc3)nc(N3CC[NH2+]CC3)n1)C2	ZINC000045318052	581092283	/nfs/dbraw/zinc/09/22/83/581092283.db2.gz	CBZPYDUOYXRYPL-UHFFFAOYSA-N	1	0	389.463	1.966	1	0		GDAFRO
CC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C	ZINC000013863374	207003192	/nfs/dbraw/zinc/00/31/92/207003192.db2.gz	CVBFXYSQQQVPOA-UGKGYDQZSA-N	1	0	395.503	1.968	1	0		GDAFRO
CCC(=O)N[C@H]1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000028234422	207337968	/nfs/dbraw/zinc/33/79/68/207337968.db2.gz	CVWNJQVOORDJRC-PMQILKSRSA-N	1	0	398.503	1.851	1	0		GDAFRO
CCCNc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc(NCCC)[nH+]1	ZINC000028474651	207342731	/nfs/dbraw/zinc/34/27/31/207342731.db2.gz	QTLGZLOQBCFENA-UHFFFAOYSA-N	1	0	393.517	1.817	1	0		GDAFRO
CC(=S)NCCCC[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)Nc1ccccc1	ZINC000096913428	208327442	/nfs/dbraw/zinc/32/74/42/208327442.db2.gz	RVYPYAMPIXSOOH-IRXDYDNUSA-N	1	0	376.526	1.969	1	0		GDAFRO
CO[C@@H](C)C(=O)N(c1ccccc1F)[C@@H]1CC[N@H+](CCn2cnnn2)C[C@@H]1C	ZINC000026735408	207317865	/nfs/dbraw/zinc/31/78/65/207317865.db2.gz	FPQXZQSIKHLDSD-YQQAZPJKSA-N	1	0	390.463	1.591	1	0		GDAFRO
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2cccc(C[NH3+])c2c1C	ZINC000026819456	207319873	/nfs/dbraw/zinc/31/98/73/207319873.db2.gz	YIJJSXNQWYZEGQ-QFIPXVFZSA-N	1	0	391.427	1.847	1	0		GDAFRO
CC(C)[NH2+]C[C@H](O)CN1C(=O)N/C(=C\c2ccc(Br)cc2)C1=O	ZINC000095597491	208236319	/nfs/dbraw/zinc/23/63/19/208236319.db2.gz	HESDMJCLNKTUDL-GRFABLRMSA-N	1	0	382.258	1.701	1	0		GDAFRO
Cc1cc(=O)n2nc(N3C[C@H](C[NH3+])[C@@H](c4cc(F)ccc4F)CC3=O)ccc2n1	ZINC000169312414	136197098	/nfs/dbraw/zinc/19/70/98/136197098.db2.gz	DXFUNWKYEDMXBV-JSGCOSHPSA-N	1	0	399.401	1.772	1	0		GDAFRO
CN(C[C@H]1[NH2+][C@@H](CO)[C@H]1c1ccc(-c2cccc(F)c2)cc1)S(C)(=O)=O	ZINC000095605762	222359304	/nfs/dbraw/zinc/35/93/04/222359304.db2.gz	ZWXZZZOBIWDWQF-QYZOEREBSA-N	1	0	378.469	1.800	1	0		GDAFRO
CN(C(=O)COc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1)c1ccccc1	ZINC000016954273	206297183	/nfs/dbraw/zinc/29/71/83/206297183.db2.gz	QOTIFYPZLMYTRL-UHFFFAOYSA-N	1	0	380.452	1.914	1	0		GDAFRO
COC1=C2C[N@H+](C)CC[C@]34c5ccccc5N5C(=O)C[C@H](OC1)[C@@H]([C@H]53)[C@H]2CC4=O	ZINC000095552818	208233169	/nfs/dbraw/zinc/23/31/69/208233169.db2.gz	FAXARKVDBXPYHL-LZZFVXCTSA-N	1	0	394.471	1.883	1	0		GDAFRO
NC(=[NH2+])NCCCCCC(=O)NCCCCNC(=O)Cc1ccc(F)cc1	ZINC000013558377	206979017	/nfs/dbraw/zinc/97/90/17/206979017.db2.gz	SSNBZNZRPNNFRJ-UHFFFAOYSA-N	1	0	379.480	1.424	1	0		GDAFRO
CC(C)[NH2+]C[C@H](O)COc1ccc(CCS(=O)(=O)C[C@H]2CCCO2)cc1	ZINC000025966598	207307219	/nfs/dbraw/zinc/30/72/19/207307219.db2.gz	GEXUWPRQQVEBAJ-PKOBYXMFSA-N	1	0	385.526	1.561	1	0		GDAFRO
COc1ccc2c3c1O[C@H]1C(=O)C[C@H](SCCO)[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000027768109	207330747	/nfs/dbraw/zinc/33/07/47/207330747.db2.gz	NMFQLKQRGIBSRD-MVHDURJCSA-N	1	0	375.490	1.637	1	0		GDAFRO
O=C(NCC[NH+]1CCCC1)c1ccc2c(c1)[nH]c(=O)n(-c1ccc(F)cc1)c2=O	ZINC000028641695	207347073	/nfs/dbraw/zinc/34/70/73/207347073.db2.gz	VYUFWGALOHHAJB-UHFFFAOYSA-N	1	0	396.422	1.644	1	0		GDAFRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(NS(N)(=O)=O)c(Cl)cc1OC	ZINC000033857365	206303815	/nfs/dbraw/zinc/30/38/15/206303815.db2.gz	GHLVSRMYLMVGKV-SNVBAGLBSA-N	1	0	390.893	1.178	1	0		GDAFRO
N[C@H](CCCC[NH3+])C(=O)NC(=O)c1cccc(I)c1	ZINC000026578058	207316016	/nfs/dbraw/zinc/31/60/16/207316016.db2.gz	CHOIYXXAEYGIJH-LLVKDONJSA-N	1	0	375.210	1.004	1	0		GDAFRO
COc1cc2c(cc1OC)C(=O)C[C@H](C[NH+]1CCC3(CC1)NC(=O)NC3=O)C2	ZINC000028701610	207346202	/nfs/dbraw/zinc/34/62/02/207346202.db2.gz	ATMAKKAURSMUQF-GFCCVEGCSA-N	1	0	387.436	1.963	1	0		GDAFRO
O=C1NC(=O)C(c2cnc3cccnn32)=C1c1cn2c3c1cccc3C[NH2+]CC2	ZINC000028132855	207335533	/nfs/dbraw/zinc/33/55/33/207335533.db2.gz	OLKIZDOBETVOFT-UHFFFAOYSA-N	1	0	384.399	1.354	1	0		GDAFRO
CO[C@]12C[C@@H](O)[C@@]3(C[C@@H]1[C@@H](C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CC[N@@H+]1C)[C@H]2O5	ZINC000028824088	207349215	/nfs/dbraw/zinc/34/92/15/207349215.db2.gz	ILSVNVUECQFENV-GSEANYBWSA-N	1	0	387.476	1.188	1	0		GDAFRO
O=C([C@@H]1C[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C[NH2+]1)N1CCSC1	ZINC000028889100	207351941	/nfs/dbraw/zinc/35/19/41/207351941.db2.gz	JESQDCSOYRAYET-GJZGRUSLSA-N	1	0	381.933	1.120	1	0		GDAFRO
O=C1CN(CCCC[NH2+]C[C@@H]2CCc3ccccc3O2)C(=O)[C@@H]2CCCCN12	ZINC000035815547	207502267	/nfs/dbraw/zinc/50/22/67/207502267.db2.gz	JCQOGVDSEZNVDJ-OALUTQOASA-N	1	0	385.508	1.973	1	0		GDAFRO
CN1CC(=O)N2[C@H](Cc3c4ccccc4[nH]c3[C@@H]2C[NH2+]Cc2cccnc2)C1=O	ZINC000084604254	208093287	/nfs/dbraw/zinc/09/32/87/208093287.db2.gz	IZHCAHYDIQNODX-MOPGFXCFSA-N	1	0	389.459	1.619	1	0		GDAFRO
CC[NH+](CC)C[C@H](O)Cn1ccc2c(c1=O)C(=O)O[C@@]21CCOC(C)(C)C1	ZINC000096909507	208326692	/nfs/dbraw/zinc/32/66/92/208326692.db2.gz	RUBCZWKSDRVYSW-VBKZILBWSA-N	1	0	378.469	1.506	1	0		GDAFRO
C[NH2+]CCNC(=[NH2+])N1C=CC[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](O)C[C@]32[C@H](C)CC1	ZINC000103524966	291108448	/nfs/dbraw/zinc/10/84/48/291108448.db2.gz	HQGNFGXIGGFQAV-YILCHJNUSA-N	1	0	388.512	1.518	1	0	biogenic,in-vitro	GDAFRO
O=c1cc(CCn2cccn2)nc(-c2ccccc2C[N@H+]2CCC[C@@H](O)C2)[nH]1	ZINC000023379776	206251045	/nfs/dbraw/zinc/25/10/45/206251045.db2.gz	JDYUPLHWMBMFDY-GOSISDBHSA-N	1	0	379.464	1.833	1	0		GDAFRO
C[C@H](c1nc(-c2ccc(NS(C)(=O)=O)cc2)no1)[C@H]([NH3+])C(=O)N1CCCC1	ZINC000014948437	207033952	/nfs/dbraw/zinc/03/39/52/207033952.db2.gz	WGWUUVBDHZLMNM-FZMZJTMJSA-N	1	0	393.469	1.161	1	0		GDAFRO
N[C@@H](CCCC[NH3+])C(=O)NC(=O)c1cccc(I)c1	ZINC000026578059	207316680	/nfs/dbraw/zinc/31/66/80/207316680.db2.gz	CHOIYXXAEYGIJH-NSHDSACASA-N	1	0	375.210	1.004	1	0		GDAFRO
CC[NH+](CC)CCNC(=O)c1cc(I)c(N)cc1OC	ZINC000013814391	207000918	/nfs/dbraw/zinc/00/09/18/207000918.db2.gz	FWXMZBZIPDMDCJ-UHFFFAOYSA-N	1	0	391.253	1.954	1	0		GDAFRO
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1nccc[n+]1C	ZINC000103245572	208422251	/nfs/dbraw/zinc/42/22/51/208422251.db2.gz	SCYOLXRBDDUBNC-HTXNQAPBSA-N	1	0	383.522	1.286	1	0		GDAFRO
CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4)C3)c12	ZINC000053276459	222009483	/nfs/dbraw/zinc/00/94/83/222009483.db2.gz	MACTYDWFDZZTGD-FQEVSTJZSA-N	1	0	382.443	1.997	1	0		GDAFRO
CNC(=[NH2+])N1C=C[C@H](C[NH2+]C)[C@@]2(C1)[C@H]1CC3=C(C(=O)[O-])[C@@H](O)C[C@]32[C@H](C)CC1	ZINC000103524792	291108682	/nfs/dbraw/zinc/10/86/82/291108682.db2.gz	DPRVKTRJSIFREH-ZBKBXQEDSA-N	1	0	388.512	1.374	1	0	biogenic,in-vitro	GDAFRO
CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CCN(C(=O)/C=C/C[NH+]3CCCCC3)[C@@H]12	ZINC000013829385	207001580	/nfs/dbraw/zinc/00/15/80/207001580.db2.gz	NDNKNUMSTIMSHQ-APOYKGIESA-N	1	0	397.541	1.072	1	0		GDAFRO
Cc1c(CCO)sc[n+]1Cc1cc(I)cnc1N	ZINC000029125627	207354956	/nfs/dbraw/zinc/35/49/56/207354956.db2.gz	RZRRPQWNCOERGA-UHFFFAOYSA-N	1	0	376.243	1.509	1	0		GDAFRO
COC(=O)[C@]12CC[C@]34CCC[N@@H+]5C[C@H](C(=O)C3)[C@@]1(c1ccc3c(c1N2)OCO3)[C@@H]54	ZINC000095913680	291108876	/nfs/dbraw/zinc/10/88/76/291108876.db2.gz	HJIKLBGXTXSUFC-KVCGMVBWSA-N	1	0	396.443	1.838	1	0	biogenic,in-vitro	GDAFRO
Cn1cc(-c2cnn3c2nc(C[C@H]2CC[NH2+]C2)c(Br)c3N)cn1	ZINC000066111830	211002748	/nfs/dbraw/zinc/00/27/48/211002748.db2.gz	HQOHRPYSMVYMPJ-SECBINFHSA-N	1	0	376.262	1.627	1	0		GDAFRO
O=C(Cn1c(=O)[nH]c2ccsc2c1=O)N1CC[NH+](C2CCCCC2)CC1	ZINC000020116659	210318419	/nfs/dbraw/zinc/31/84/19/210318419.db2.gz	RHURJNOSICBZLA-UHFFFAOYSA-N	1	0	376.482	1.228	1	0		GDAFRO
CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccccc1	ZINC000013530569	210065552	/nfs/dbraw/zinc/06/55/52/210065552.db2.gz	YKSIUQZREKHXCH-AEFFLSMTSA-N	1	0	392.500	1.893	1	0		GDAFRO
CC[N@@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@@H]32)[C@@H]14	ZINC000033359816	209191667	/nfs/dbraw/zinc/19/16/67/209191667.db2.gz	HKQZUYOVMYOFIT-IXYTZAQFSA-N	1	0	377.525	1.251	3	0		GDAFRO
Cn1cc2c(n1)nc(NC(=O)NC1CC[NH+](C)CC1)n1nc(-c3ccco3)nc21	ZINC000084688252	211173639	/nfs/dbraw/zinc/17/36/39/211173639.db2.gz	WOZSWFRDVYBRCX-UHFFFAOYSA-N	1	0	395.427	1.487	1	0		GDAFRO
CS(=O)(=O)Nc1ccc(C(=O)NC[C@@H]2CN(c3ccccc3)CC[NH2+]2)cc1	ZINC000049925427	136177629	/nfs/dbraw/zinc/17/76/29/136177629.db2.gz	GIUNEOHGDSNUIQ-QGZVFWFLSA-N	1	0	388.493	1.266	1	0		GDAFRO
COc1ccc2c(c1)N1C(=O)C[C@H]3OCC=C4C[N@@H+]5CC[C@]26[C@H]1[C@@H]3[C@H]4C[C@]56O	ZINC000070451049	291110610	/nfs/dbraw/zinc/11/06/10/291110610.db2.gz	INVSLAPXYYHYAD-WYLVDGFDSA-N	1	0	380.444	1.421	1	0	biogenic,in-vitro	GDAFRO
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H]([NH2+]C2CCOCC2)C1	ZINC000066103007	211001576	/nfs/dbraw/zinc/00/15/76/211001576.db2.gz	KPUPPDZXLBFOOY-JKBKZWBZSA-N	1	0	377.529	1.782	1	0		GDAFRO
Nc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccn2)nc2nc(-c3ccco3)nn21	ZINC000013612517	581095904	/nfs/dbraw/zinc/09/59/04/581095904.db2.gz	JOGLEKRSRUYSHC-CQSZACIVSA-N	1	0	391.439	1.833	1	0		GDAFRO
Oc1ccc2c3c1O[C@H]1c4ncncc4C[C@@]4(O)[C@@H](C2)[N@H+](CC2CC2)CC[C@]314	ZINC000013800208	210092101	/nfs/dbraw/zinc/09/21/01/210092101.db2.gz	XAVIRADGRBNXAW-YPVJZLTNSA-N	1	0	377.444	1.881	1	0		GDAFRO
CC(C)C[NH2+]Cc1ccccc1S(=O)(=O)c1csc(S(N)(=O)=O)c1	ZINC000013727910	210084287	/nfs/dbraw/zinc/08/42/87/210084287.db2.gz	AKJABWRAOULPJF-UHFFFAOYSA-N	1	0	388.536	1.974	1	0		GDAFRO
[NH3+]CCCC[C@@H]1NC(=O)[C@@H](CN(O)C=O)CCCCCCCCCNC1=O	ZINC000013583412	210070742	/nfs/dbraw/zinc/07/07/42/210070742.db2.gz	DNHWNIOCMHECBY-SJORKVTESA-N	1	0	384.521	1.315	1	0		GDAFRO
CC(C)C[NH2+]Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1	ZINC000013727888	210085012	/nfs/dbraw/zinc/08/50/12/210085012.db2.gz	VVKQXJMBVLKXJC-UHFFFAOYSA-N	1	0	388.536	1.974	1	0		GDAFRO
NC(=[NH2+])c1ccc(CNC(=O)C[C@@H]2OCCN(Nc3ccccc3)C2=O)cc1	ZINC000013526742	210065744	/nfs/dbraw/zinc/06/57/44/210065744.db2.gz	LMQCSKDKFQFEOO-KRWDZBQOSA-N	1	0	381.436	1.231	1	0		GDAFRO
Cn1c2nc(N)c(C[NH3+])c(-c3cccc(Cl)c3Cl)c2c(=O)n(C)c1=O	ZINC000095573700	211278228	/nfs/dbraw/zinc/27/82/28/211278228.db2.gz	IEECBPIXCYEOMZ-UHFFFAOYSA-N	1	0	380.235	1.647	1	0		GDAFRO
O=C(N[C@H]1CCC[NH2+]C1)c1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12	ZINC000084614618	211170767	/nfs/dbraw/zinc/17/07/67/211170767.db2.gz	ZVYAKNNDLXJXLV-ZDUSSCGKSA-N	1	0	376.420	1.653	1	0		GDAFRO
O=S(=O)(NCCNc1cc(C2CC[NH2+]CC2)ncn1)c1ccc(Cl)cc1	ZINC000039405706	210760349	/nfs/dbraw/zinc/76/03/49/210760349.db2.gz	DXFHVEWIEKMJHF-UHFFFAOYSA-N	1	0	395.916	1.987	1	0		GDAFRO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2nc(-c3ccco3)nn21	ZINC000013581741	210068693	/nfs/dbraw/zinc/06/86/93/210068693.db2.gz	KPTVFLZETSRCFF-UHFFFAOYSA-N	1	0	376.424	1.684	1	0		GDAFRO
CC[N@@H+]1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6O)[C@@H](C[C@@H]32)[C@@H]14	ZINC000095911599	291107550	/nfs/dbraw/zinc/10/75/50/291107550.db2.gz	HKGMHDMSESOCGT-JEJCSOMWSA-N	1	0	377.525	1.251	1	0	biogenic,in-vitro	GDAFRO
CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(S(N)(=O)=O)cc2c1O[C@@H](C)C2	ZINC000002010543	209230154	/nfs/dbraw/zinc/23/01/54/209230154.db2.gz	ITVVMWXAZTUXIL-DZGCQCFKSA-N	1	0	395.525	1.652	1	0	investigational	GDAFRO
O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4o3)CC2)C[NH2+]1)N1CCSC1	ZINC000084687925	211174260	/nfs/dbraw/zinc/17/42/60/211174260.db2.gz	VCYICOLYXKWNLH-HOCLYGCPSA-N	1	0	387.509	1.213	1	0		GDAFRO
O=C(NC1CC[NH2+]CC1)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1	ZINC000028895350	210535699	/nfs/dbraw/zinc/53/56/99/210535699.db2.gz	VXCKDQUEDNRBHX-IBGZPJMESA-N	1	0	387.505	1.861	1	0		GDAFRO
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C	ZINC000014951862	581093896	/nfs/dbraw/zinc/09/38/96/581093896.db2.gz	QLSCFXXQNWFPJE-BZSNNMDCSA-N	1	0	388.512	1.172	1	0		GDAFRO
Cc1ccccc1N1CC[NH+](CCCN2CC(=O)N3CCCC[C@H]3C2=O)CC1	ZINC000026674075	210502215	/nfs/dbraw/zinc/50/22/15/210502215.db2.gz	WCPZHDFWFPAFPA-FQEVSTJZSA-N	1	0	384.524	1.730	1	0		GDAFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1	ZINC000013740735	210088203	/nfs/dbraw/zinc/08/82/03/210088203.db2.gz	QUJOYPHCUFJRJV-UHFFFAOYSA-N	1	0	381.440	1.942	1	0		GDAFRO
C[NH+](C)CCNS(=O)(=O)c1ccc(NC=C2c3ccccc3NC2=O)cc1	ZINC000013470494	210062579	/nfs/dbraw/zinc/06/25/79/210062579.db2.gz	CZOHIJSWNBOVJE-LGMDPLHJSA-N	1	0	386.477	1.932	1	0	in-vitro	GDAFRO
CC[NH+](CC)CCNC(=O)c1ccc(/C=C2\C(=O)Nc3cccnc32)[nH]c1=O	ZINC000073158749	211123897	/nfs/dbraw/zinc/12/38/97/211123897.db2.gz	WJIRYBWTHQMQJC-QINSGFPZSA-N	1	0	381.436	1.334	1	0		GDAFRO
Oc1cccc(-c2nc3c(cnn3C3CC[NH2+]CC3)c(N3CCOCC3)n2)c1	ZINC000045320906	132423144	/nfs/dbraw/zinc/42/31/44/132423144.db2.gz	WCZSBHYATWRXOI-UHFFFAOYSA-N	1	0	380.452	1.960	1	0		GDAFRO
COc1ccc2c(c1OC)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@H](OC)C(=O)C3	ZINC000095918758	291110621	/nfs/dbraw/zinc/11/06/21/291110621.db2.gz	UTTZNWQGZHNUIG-YSCIFQABSA-N	1	0	389.448	1.821	1	0	biogenic,in-vitro	GDAFRO
C[NH+]1CCC(N2CCC[C@H](NC(=O)COc3ncnc4ccccc43)C2)CC1	ZINC000011933709	221137531	/nfs/dbraw/zinc/13/75/31/221137531.db2.gz	GWRPDQNCWZNBDF-INIZCTEOSA-N	1	0	383.496	1.683	1	0		GDAFRO
C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c1ccc1c2C(=O)NC1=O	ZINC000040939280	581095544	/nfs/dbraw/zinc/09/55/44/581095544.db2.gz	PTGWYMVQLZIIIM-UHFFFAOYSA-N	1	0	394.431	1.452	1	0		GDAFRO
C[NH2+][C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000013765455	210090082	/nfs/dbraw/zinc/09/00/82/210090082.db2.gz	OPHUJOIWOCVSQQ-PMACEKPBSA-N	1	0	381.476	1.578	1	0		GDAFRO
COc1cc2c(cc1O)C[C@@H]1[NH2+]CCc3c(OC)c(OCO)c(OCO)c-2c31	ZINC000095486346	291110143	/nfs/dbraw/zinc/11/01/43/291110143.db2.gz	ADAZRLYYDSQNLF-ZDUSSCGKSA-N	1	0	389.404	1.477	1	0	biogenic,in-vitro	GDAFRO
Cn1cc2c(n1)nc(NC(=O)Nc1cccc[n+]1C)n1nc(-c3ccco3)nc21	ZINC000013683590	210080237	/nfs/dbraw/zinc/08/02/37/210080237.db2.gz	RJZANJTXSVXNQH-UHFFFAOYSA-O	1	0	390.387	1.740	1	0		GDAFRO
Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CC[NH2+]CC3)c2)cc1	ZINC000013494010	210065998	/nfs/dbraw/zinc/06/59/98/210065998.db2.gz	KSMWSYNAJGWNMR-UHFFFAOYSA-N	1	0	397.298	1.669	1	0		GDAFRO
O=C(C[NH+]1CCCC1)N1CCc2[nH]c(-c3cc4ccccc4[nH]c3=O)nc2C1	ZINC000084617172	211170290	/nfs/dbraw/zinc/17/02/90/211170290.db2.gz	YDZKLKYYBVGTLU-UHFFFAOYSA-N	1	0	377.448	1.899	1	0		GDAFRO
[NH3+][C@H]1CN(c2cc(-c3cc(F)c(F)cc3F)ncn2)C[C@@H]1N1CCCC1=O	ZINC000066080454	211000207	/nfs/dbraw/zinc/00/02/07/211000207.db2.gz	AHMISODBMDDBSB-HOCLYGCPSA-N	1	0	377.370	1.699	1	0		GDAFRO
COc1cccc2c1CC[C@H]1C[N@H+](CCn3c(=O)[nH]c4nccnc4c3=O)C[C@@H]21	ZINC000013863027	210095838	/nfs/dbraw/zinc/09/58/38/210095838.db2.gz	HTYVDYLLKXEKSL-XJKSGUPXSA-N	1	0	393.447	1.563	1	0		GDAFRO
COC(=O)c1[nH]c2ccc(CN3C(=O)NC(C)(C)C3=O)cc2c1CC[NH+](C)C	ZINC000013605924	210073257	/nfs/dbraw/zinc/07/32/57/210073257.db2.gz	LVXGGNIFSMGBDU-UHFFFAOYSA-N	1	0	386.452	1.889	1	0		GDAFRO
Cc1c[nH]c(CN(C)Cc2cccc(OC[C@H](O)C[NH+]3CCC(O)CC3)c2)n1	ZINC000015068607	211126872	/nfs/dbraw/zinc/12/68/72/211126872.db2.gz	UPWLPKNJFFGSJL-LJQANCHMSA-N	1	0	388.512	1.547	1	0		GDAFRO
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccnc(N3CC[NH2+]CC3)c2)n1	ZINC000072123589	211071480	/nfs/dbraw/zinc/07/14/80/211071480.db2.gz	IXGIDKKCSASRGG-UHFFFAOYSA-N	1	0	375.440	1.976	1	0		GDAFRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1	ZINC000014951816	210130807	/nfs/dbraw/zinc/13/08/07/210130807.db2.gz	UETWNTWJPLMFAF-XIRDDKMYSA-N	1	0	380.533	1.162	1	0		GDAFRO
C[NH2+][C@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(N)=O	ZINC000013765458	210090267	/nfs/dbraw/zinc/09/02/67/210090267.db2.gz	OPHUJOIWOCVSQQ-UXHICEINSA-N	1	0	381.476	1.578	1	0		GDAFRO
CS(=O)(=O)N1CCC[C@@H]2C[N@@H+]3CCc4cc5c(cc4[C@@H]3C[C@@H]21)OCCO5	ZINC000013820253	210091364	/nfs/dbraw/zinc/09/13/64/210091364.db2.gz	YKECYCRAJYZOSV-PVAVHDDUSA-N	1	0	378.494	1.801	1	0		GDAFRO
COCC[C@H]1C[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@](C(=O)NCCO)(C2)[C@H]13	ZINC000013522307	210065603	/nfs/dbraw/zinc/06/56/03/210065603.db2.gz	RPYHLEHPZWHJIE-RUHLTRSKSA-N	1	0	397.519	1.817	1	0	in-vivo	GDAFRO
C/C=C(\C)C(=O)O[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@H+]2CC[C@@H](O)[C@@H]12)C(C)C	ZINC000033954974	209246169	/nfs/dbraw/zinc/24/61/69/209246169.db2.gz	XDYWDZKXDBKDDT-SMLWLWDZSA-N	1	0	381.469	1.190	1	0		GDAFRO
[NH2+]=C1N[C@@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@@]23N1	ZINC000013379787	209193533	/nfs/dbraw/zinc/19/35/33/209193533.db2.gz	MKCFBJDWCJAOTN-KOLCDFICSA-N	1	0	389.051	1.585	1	0		GDAFRO
C[NH2+]C[C@H](O)CCN1c2ccccc2N(c2cccc(OC)c2)S1(=O)=O	ZINC000049112222	210862215	/nfs/dbraw/zinc/86/22/15/210862215.db2.gz	PKVDODLSCSUTRW-OAHLLOKOSA-N	1	0	377.466	1.869	1	0		GDAFRO
Nc1nc(NC[C@H]2CCC[N@@H+]2Cc2cccnc2)nc2nc(-c3ccco3)nn21	ZINC000013612521	581095953	/nfs/dbraw/zinc/09/59/53/581095953.db2.gz	IBLWEVQWIQSPJR-CQSZACIVSA-N	1	0	391.439	1.833	1	0		GDAFRO
Nc1ncnc2c([C@@H]3[NH2+][C@@H](CSc4ccc(F)cc4)[C@@H](O)[C@@H]3O)c[nH]c21	ZINC000101008180	211394028	/nfs/dbraw/zinc/39/40/28/211394028.db2.gz	LNOLKCZQSNFNCE-DDUYRFODSA-N	1	0	375.429	1.158	1	0		GDAFRO
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C	ZINC000013802629	221289789	/nfs/dbraw/zinc/28/97/89/221289789.db2.gz	FWZBFKOYSRKDMG-PMACEKPBSA-N	1	0	381.476	1.578	1	0		GDAFRO
C[NH2+][C@@H](C)C(=O)Nc1cccn(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O	ZINC000064691485	222079059	/nfs/dbraw/zinc/07/90/59/222079059.db2.gz	FVHOVVQXHQIANM-WMLDXEAASA-N	1	0	382.464	1.589	1	0		GDAFRO
O=C(O[C@@H]1C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccccc1	ZINC000066065996	222136362	/nfs/dbraw/zinc/13/63/62/222136362.db2.gz	CVBBAKBOGDBWKS-GPBSYSOESA-N	1	0	384.476	1.678	1	0		GDAFRO
O=C(Nc1cc(-c2cc3c([nH]2)[C@@]2(CC[NH2+]C2)CNC3=O)ccn1)c1ccccn1	ZINC000073390352	222271034	/nfs/dbraw/zinc/27/10/34/222271034.db2.gz	KUHJGHADZLHBNB-OAQYLSRUSA-N	1	0	388.431	1.699	1	0		GDAFRO
COc1cc2c(cc1O)[C@]13CC[N@@H+]4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43	ZINC000070454075	291110455	/nfs/dbraw/zinc/11/04/55/291110455.db2.gz	ABWRSFGMUNFXLV-WGOLWFOJSA-N	1	0	380.444	1.807	1	0	biogenic,in-vitro	GDAFRO
COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4C[N@H+](C)CC[C@@]25C(=O)C[C@@H]4[C@@H]3[C@H]15	ZINC000085532628	291110674	/nfs/dbraw/zinc/11/06/74/291110674.db2.gz	LQPYDIAIUWQRDY-WRVAKAQNSA-N	1	0	394.471	1.918	1	0	biogenic,in-vitro	GDAFRO
Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])Cc4ccc(F)cc4)CC3)c12	ZINC000064528368	136156937	/nfs/dbraw/zinc/15/69/37/136156937.db2.gz	NROLMFHMWLAKRA-MRXNPFEDSA-N	1	0	382.443	1.624	1	0		GDAFRO
O=C(Cn1[nH+]cc2c3ccccc3nc-2c1O)N1CCN(c2ccccn2)CC1	ZINC000101789584	136189853	/nfs/dbraw/zinc/18/98/53/136189853.db2.gz	CHIGACKRFRINPV-UHFFFAOYSA-N	1	0	388.431	1.986	1	0		GDAFRO
O=C1NC(=O)C(c2cnc3ccncn32)=C1c1cn2c3c1cccc3C[NH2+]CC2	ZINC000028132335	221667960	/nfs/dbraw/zinc/66/79/60/221667960.db2.gz	ZZVXLHXOSHJZHB-UHFFFAOYSA-N	1	0	384.399	1.354	1	0		GDAFRO
CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(NCC[NH3+])n[nH]c2-3)C(=O)O1	ZINC000028950258	221687016	/nfs/dbraw/zinc/68/70/16/221687016.db2.gz	DHHYWJFVBLHEGS-HNNXBMFYSA-N	1	0	398.467	1.397	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc([C@@H]2C[NH2+]CCS2)c(Br)c3N)cn1	ZINC000060329717	222059157	/nfs/dbraw/zinc/05/91/57/222059157.db2.gz	MGCHCKUUSGHSES-JTQLQIEISA-N	1	0	394.302	1.852	1	0		GDAFRO
COc1cc2c(cc1O)[C@@]13CC[N@@H+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43	ZINC000095912155	291110494	/nfs/dbraw/zinc/11/04/94/291110494.db2.gz	ABWRSFGMUNFXLV-QOQMYPBTSA-N	1	0	380.444	1.807	1	0	biogenic,in-vitro	GDAFRO
CCCCN1C(=O)[C@@H](CC(=O)NCCC[NH+](C)C)CC(C(=O)N(C)C)=C1C	ZINC000061923401	222064461	/nfs/dbraw/zinc/06/44/61/222064461.db2.gz	JRWXLDYEKNMKDY-MRXNPFEDSA-N	1	0	380.533	1.455	3	0		GDAFRO
O=S1(=O)CC[C@@H](n2cc(C3=CCN(CC[NH+]4CCCCC4)CC3)cn2)C1	ZINC000067740048	222157982	/nfs/dbraw/zinc/15/79/82/222157982.db2.gz	MSWFZLJLDZSQJK-LJQANCHMSA-N	1	0	378.542	1.818	1	0		GDAFRO
O=C(Nc1cc(-c2cc3c([nH]2)[C@]2(CC[NH2+]C2)CNC3=O)ccn1)c1ccccn1	ZINC000073390355	222270825	/nfs/dbraw/zinc/27/08/25/222270825.db2.gz	KUHJGHADZLHBNB-NRFANRHFSA-N	1	0	388.431	1.699	1	0		GDAFRO
C/C=C/c1ccc([C@@H]2[C@@H](CO)[NH2+][C@@H]2CN(CC)C(=O)CN2CCOCC2)cc1	ZINC000095895839	222360420	/nfs/dbraw/zinc/36/04/20/222360420.db2.gz	NYIRBEWLHVXNKD-RESCKBETSA-N	1	0	387.524	1.317	1	0		GDAFRO
NC(=O)c1cccc2cn(-c3ccc(C(=O)NCC[NH+]4CCCC4)cc3)nc21	ZINC000045347720	581100544	/nfs/dbraw/zinc/10/05/44/581100544.db2.gz	JYIUENDUXWJYGO-UHFFFAOYSA-N	1	0	377.448	1.950	1	0		GDAFRO
O=C1Cc2cc(OC3CN(c4c5c(nc6ccnn64)CC[NH2+]CC5)C3)ccc2N1	ZINC000066099592	222137177	/nfs/dbraw/zinc/13/71/77/222137177.db2.gz	BLAATJSMNSTOKH-UHFFFAOYSA-N	1	0	390.447	1.180	1	0		GDAFRO
C[NH+](C)CCNc1ccc(Cn2c3cc(C(F)(F)F)nc(N)c3[nH]c2=O)cn1	ZINC000072125082	222209732	/nfs/dbraw/zinc/20/97/32/222209732.db2.gz	VJQJILGCYUBXMO-UHFFFAOYSA-N	1	0	395.389	1.742	1	0		GDAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C1(CC1)O2	ZINC000014966345	221322229	/nfs/dbraw/zinc/32/22/29/221322229.db2.gz	ULSULMMOPVCYQW-UHFFFAOYSA-N	1	0	396.451	1.265	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc([C@H]2CCC[NH2+]C2)c(-c2cnn(C)c2)c3N)cn1	ZINC000060327551	222059114	/nfs/dbraw/zinc/05/91/14/222059114.db2.gz	YFEPLUNLXCECDK-LBPRGKRZSA-N	1	0	377.456	1.580	1	0		GDAFRO
O=S1(=O)CC[C@H](n2cc(C3=CCN(CC[NH+]4CCCCC4)CC3)cn2)C1	ZINC000067740051	222157209	/nfs/dbraw/zinc/15/72/09/222157209.db2.gz	MSWFZLJLDZSQJK-IBGZPJMESA-N	1	0	378.542	1.818	1	0		GDAFRO
CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5N(C)[C@@H]4[C@@](O)(C(=O)OC)[C@@H]1O)[C@@H]32	ZINC000085490105	291107640	/nfs/dbraw/zinc/10/76/40/291107640.db2.gz	HVBGZKVTJLINJW-WJCRVXTFSA-N	1	0	384.476	1.062	1	0	biogenic,in-vitro	GDAFRO
CC[NH+]1CCN(c2nc3sc4cc(Cl)ccc4n3c(=O)c2C(N)=O)CC1	ZINC000103166695	136190763	/nfs/dbraw/zinc/19/07/63/136190763.db2.gz	WNVABJMTCBOFME-UHFFFAOYSA-N	1	0	391.884	1.803	1	0		GDAFRO
COc1cncc(-c2nccc(-c3cc4c([nH]3)[C@]3(CCC[NH2+]C3)CNC4=O)n2)c1	ZINC000071341072	222184080	/nfs/dbraw/zinc/18/40/80/222184080.db2.gz	IIJWQBDPICTUBI-NRFANRHFSA-N	1	0	390.447	1.907	1	0		GDAFRO
CC[C@@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2ccc(C[NH3+])cc2nc1-3	ZINC000001611352	212249885	/nfs/dbraw/zinc/24/98/85/212249885.db2.gz	VOIZNGXMCGYCRT-OAQYLSRUSA-N	1	0	377.400	1.538	1	0		GDAFRO
NC(=[NH2+])c1cccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)c1	ZINC000013800226	221289477	/nfs/dbraw/zinc/28/94/77/221289477.db2.gz	KADFSBSWLWCEIB-UHFFFAOYSA-N	1	0	396.472	1.719	1	0		GDAFRO
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CC[NH2+]C3)cc1	ZINC000095579916	136182228	/nfs/dbraw/zinc/18/22/28/136182228.db2.gz	PITUAFPHQAKRKP-UHFFFAOYSA-N	1	0	382.468	1.767	1	0		GDAFRO
C[NH+]1CCN(c2ccc(-c3ccc4c(c3)OC[C@H]3[C@H](CO)OC(=O)N43)cn2)CC1	ZINC000095584757	136182297	/nfs/dbraw/zinc/18/22/97/136182297.db2.gz	ABKFZCBRQRWTCD-HKUYNNGSSA-N	1	0	396.447	1.579	1	0		GDAFRO
COC(=O)[C@]1(c2ccc(OC)cc2)C[C@H]1C[NH+]1CCN(c2ncccn2)CC1	ZINC000028604349	221680633	/nfs/dbraw/zinc/68/06/33/221680633.db2.gz	BYBMZGBJJJZZHW-UWJYYQICSA-N	1	0	382.464	1.738	1	0		GDAFRO
COc1cncc(-c2nccc(-c3cc4c([nH]3)[C@@]3(CCC[NH2+]C3)CNC4=O)n2)c1	ZINC000071332057	222182135	/nfs/dbraw/zinc/18/21/35/222182135.db2.gz	IIJWQBDPICTUBI-OAQYLSRUSA-N	1	0	390.447	1.907	1	0		GDAFRO
CC(C)(NC(=O)c1nc(-c2ccc3c(c2)NC(=O)C3)cnc1N)C1CC[NH2+]CC1	ZINC000084596688	222318213	/nfs/dbraw/zinc/31/82/13/222318213.db2.gz	SGOXZXDWMCLSPQ-UHFFFAOYSA-N	1	0	394.479	1.728	1	0		GDAFRO
CCNC(=O)[C@@H]1[C@H]2[NH2+][C@H](Cn3c(=O)c(/C=C/c4ccccc4)ccc32)[C@H]1CO	ZINC000095880682	222361502	/nfs/dbraw/zinc/36/15/02/222361502.db2.gz	RTRULYBWBINIBE-SIYMSQDBSA-N	1	0	379.460	1.406	1	0		GDAFRO
C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O	ZINC000040892672	581095552	/nfs/dbraw/zinc/09/55/52/581095552.db2.gz	UBVZCCQRCAEWCF-DKIMLUQUSA-N	1	0	386.496	1.068	1	0		GDAFRO
C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5ncccc5[nH]c4=O)nc3c2)CC1	ZINC000000594205	212163570	/nfs/dbraw/zinc/16/35/70/212163570.db2.gz	KCJHQDVGQZJZAJ-UHFFFAOYSA-N	1	0	375.436	1.800	1	0		GDAFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)N2CCCC2)c(Cl)c1	ZINC000016954716	212149277	/nfs/dbraw/zinc/14/92/77/212149277.db2.gz	HPZPJWILUHRQCU-UHFFFAOYSA-N	1	0	378.864	1.527	1	0		GDAFRO
[NH3+][C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3cc[nH]c32)CC1	ZINC000064549196	136156920	/nfs/dbraw/zinc/15/69/20/136156920.db2.gz	AXZWPTHKGPEBOZ-OAHLLOKOSA-N	1	0	384.871	1.830	1	0		GDAFRO
COc1ccc(CNc2nc(NC[C@H](O)C[NH3+])nc3c2ncn3C(C)C)cc1	ZINC000026404437	221639736	/nfs/dbraw/zinc/63/97/36/221639736.db2.gz	FMUNEYJNNXTMMG-CQSZACIVSA-N	1	0	385.472	1.759	1	0		GDAFRO
[NH2+]=C1N[C@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@]23N1	ZINC000013379790	212117010	/nfs/dbraw/zinc/11/70/10/212117010.db2.gz	MKCFBJDWCJAOTN-GXSJLCMTSA-N	1	0	389.051	1.585	1	0	in-vitro	GDAFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C)O2	ZINC000014966323	221322152	/nfs/dbraw/zinc/32/21/52/221322152.db2.gz	GBXSOZDYCSBLQX-UHFFFAOYSA-N	1	0	398.467	1.511	1	0	in-vivo	GDAFRO
COc1ccc2c(c1)N1C(=O)C[C@@H]3OCC=C4C[N@H+](C)CC[C@@]25C(=O)C[C@H]4[C@@H]3[C@H]15	ZINC000085529984	291110652	/nfs/dbraw/zinc/11/06/52/291110652.db2.gz	LQPYDIAIUWQRDY-FUEMBBSISA-N	1	0	394.471	1.918	1	0	biogenic,in-vitro	GDAFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCC(=O)N2CCCCC2)c(Cl)c1	ZINC000016955315	212149851	/nfs/dbraw/zinc/14/98/51/212149851.db2.gz	RKPPTLSQAMSQSK-UHFFFAOYSA-N	1	0	392.891	1.917	1	0		GDAFRO
CNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CC[NH+](C)CC4)cc3c2=O)c1	ZINC000084670935	136174995	/nfs/dbraw/zinc/17/49/95/136174995.db2.gz	LVDMPHOFVUWPIS-UHFFFAOYSA-N	1	0	391.475	1.806	1	0		GDAFRO
CCC(=O)N[C@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@@H+]3CC2CC2)[C@H]1O5	ZINC000028234418	221671265	/nfs/dbraw/zinc/67/12/65/221671265.db2.gz	CVWNJQVOORDJRC-VGCDLTRTSA-N	1	0	398.503	1.851	1	0		GDAFRO
Cc1nc2ccccc2c(=O)n1C[C@H](O)CNC(=O)C1=CC(C)(C)[NH2+]C1(C)C	ZINC000040466929	221924832	/nfs/dbraw/zinc/92/48/32/221924832.db2.gz	KJDJZPXEKJENBI-CQSZACIVSA-N	1	0	384.480	1.269	1	0		GDAFRO
O=C(O[C@H]1C[C@@H]2[C@H]3CCC[N@@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccccc1	ZINC000066065997	222136702	/nfs/dbraw/zinc/13/67/02/222136702.db2.gz	CVBBAKBOGDBWKS-JBKQDOAHSA-N	1	0	384.476	1.678	1	0		GDAFRO
NC(=[NH2+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1	ZINC000012354948	581097196	/nfs/dbraw/zinc/09/71/96/581097196.db2.gz	XNXCMXBYEINFES-UHFFFAOYSA-N	1	0	396.472	1.719	1	0		GDAFRO
CC(C)C[NH2+]Cc1cccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)c1	ZINC000013727903	221285649	/nfs/dbraw/zinc/28/56/49/221285649.db2.gz	RRIGJSHYMDDRIM-UHFFFAOYSA-N	1	0	388.536	1.974	1	0		GDAFRO
C[NH2+]C[C@@](O)(CCCCCC[C@H](O)CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1)CC(=O)[O-]	ZINC000085488282	291108452	/nfs/dbraw/zinc/10/84/52/291108452.db2.gz	DJPPBRRDQNZAAR-NMDDUFOESA-N	1	0	388.549	1.395	1	0	biogenic,in-vitro	GDAFRO
CC[NH+](CC)CCCNC(=O)c1c(C)oc2ncnc(N3CCOCC3)c21	ZINC000008596043	221045035	/nfs/dbraw/zinc/04/50/35/221045035.db2.gz	ISVJJVMNHCETFT-UHFFFAOYSA-N	1	0	375.473	1.830	1	0		GDAFRO
O=S(=O)(Cc1ccc2c(c1)CC[NH2+]CC2)c1ccc(N2CCOCC2)nc1	ZINC000048998236	132435093	/nfs/dbraw/zinc/43/50/93/132435093.db2.gz	JHFOAJJQKIXOJU-UHFFFAOYSA-N	1	0	387.505	1.580	1	0		GDAFRO
Nc1ncnc(N2CCN(C(=O)[C@@H]([NH3+])Cc3ccc(Cl)cc3)CC2)c1Cl	ZINC000103238976	136190974	/nfs/dbraw/zinc/19/09/74/136190974.db2.gz	SSFWFZBIPWHUFP-ZDUSSCGKSA-N	1	0	395.294	1.584	1	0		GDAFRO
Cn1cc(-c2cnn3c2nc([C@@H]2CCC[NH2+]C2)c(-c2cnn(C)c2)c3N)cn1	ZINC000060327550	222058900	/nfs/dbraw/zinc/05/89/00/222058900.db2.gz	YFEPLUNLXCECDK-GFCCVEGCSA-N	1	0	377.456	1.580	1	0		GDAFRO
CCC[N@H+](C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C	ZINC000061945696	222063787	/nfs/dbraw/zinc/06/37/87/222063787.db2.gz	DWRDFVJCWRIGSC-NUJGCVRESA-N	1	0	381.521	1.144	3	0		GDAFRO
CN1CC(=O)N2[C@H](C[NH2+]Cc3cccnc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O	ZINC000084604256	222318760	/nfs/dbraw/zinc/31/87/60/222318760.db2.gz	IZHCAHYDIQNODX-RTBURBONSA-N	1	0	389.459	1.619	1	0		GDAFRO
C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5ccncc5[nH]c4=O)nc3c2)CC1	ZINC000000594202	212163675	/nfs/dbraw/zinc/16/36/75/212163675.db2.gz	CSGDFNSJHVTVHD-UHFFFAOYSA-N	1	0	375.436	1.800	1	0		GDAFRO
CN(Cc1ccc2c(c1)CC[NH2+]CC2)C(=O)c1ccc(N2CCOCC2)nc1	ZINC000048998235	132435078	/nfs/dbraw/zinc/43/50/78/132435078.db2.gz	PMSBGJYGMRMJFN-UHFFFAOYSA-N	1	0	380.492	1.879	1	0		GDAFRO
Cc1c[nH]c2ncnc(N3CCN(C(=O)[C@H]([NH3+])C4Cc5ccccc5C4)CC3)c12	ZINC000064539254	136156863	/nfs/dbraw/zinc/15/68/63/136156863.db2.gz	ZKLRNDJLDZGUSJ-LJQANCHMSA-N	1	0	390.491	1.657	1	0		GDAFRO
C[C@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)CC2CC2)OCc2cnnn2CCCC1=O	ZINC000061946089	222064032	/nfs/dbraw/zinc/06/40/32/222064032.db2.gz	BJEAXWIUXBEVDX-FRQCXROJSA-N	1	0	393.532	1.144	3	0		GDAFRO
C[NH+](C)CCOc1ccc(Cn2c3cc(C(F)(F)F)nc(N)c3[nH]c2=O)cn1	ZINC000072125208	222208985	/nfs/dbraw/zinc/20/89/85/222208985.db2.gz	FCIITKQVFRCXQN-UHFFFAOYSA-N	1	0	396.373	1.709	1	0		GDAFRO
COc1cc(Nc2nn3c(nc(C)cc3NC[C@H](C)[NH3+])c2C(N)=O)cc(OC)c1	ZINC000029063082	221688212	/nfs/dbraw/zinc/68/82/12/221688212.db2.gz	JHEUXHLNVYZLBG-JTQLQIEISA-N	1	0	399.455	1.657	1	0		GDAFRO
C[C@H](CO)N1C[C@@H](C)[C@H](C[NH+](C)C)Oc2ncc(Br)cc2C1=O	ZINC000061922031	222064663	/nfs/dbraw/zinc/06/46/63/222064663.db2.gz	CQLZSIJUSXSSDU-GYSYKLTISA-N	1	0	386.290	1.626	3	0		GDAFRO
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cncc(N3CC[NH2+]CC3)c2)n1	ZINC000072122815	222209238	/nfs/dbraw/zinc/20/92/38/222209238.db2.gz	ICCDFAGRWOXVCU-UHFFFAOYSA-N	1	0	375.440	1.976	1	0		GDAFRO
NC(=[NH2+])N[C@H]1Cc2ccccc2[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)c(F)c1	ZINC000095556665	222355257	/nfs/dbraw/zinc/35/52/57/222355257.db2.gz	ICNIHLCRBSFIFO-GJZGRUSLSA-N	1	0	389.818	1.683	1	0	in-vitro	GDAFRO
C/C=C/c1ccc([C@H]2[C@@H](CO)[NH2+][C@@H]2CN(CC)C(=O)CN2CCOCC2)cc1	ZINC000095895837	222361311	/nfs/dbraw/zinc/36/13/11/222361311.db2.gz	NYIRBEWLHVXNKD-FTTBZJOESA-N	1	0	387.524	1.317	1	0		GDAFRO