smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000008300042	291135175	/nfs/dbraw/zinc/13/51/75/291135175.db2.gz	VBCDEJGWWZREPH-CMKODMSKSA-N	1	0	377.488	4.497	40	30	biogenic,in-vitro	GIEBRO
C=CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](CC2CC2)CC1	ZINC000072345267	518882273	/nfs/dbraw/zinc/88/22/73/518882273.db2.gz	WVBRUYQBWHUKCI-UHFFFAOYSA-N	1	0	389.543	4.086	40	30		GIEBRO
C=CCn1cc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c2ccccc21	ZINC000019569286	519278369	/nfs/dbraw/zinc/27/83/69/519278369.db2.gz	YROGUBLSQMKOHO-UHFFFAOYSA-N	1	0	376.500	4.320	40	30		GIEBRO
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C[n+]1ccccc1	ZINC000238900518	525349874	/nfs/dbraw/zinc/34/98/74/525349874.db2.gz	JCXKLDMPWBYJSG-LKIHVOCSSA-N	1	0	394.579	4.483	40	30		GIEBRO
C=CCc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c1O	ZINC000012345818	570236712	/nfs/dbraw/zinc/23/67/12/570236712.db2.gz	HIYJVQMRFXHXOQ-SVGJNIJCSA-N	1	0	379.500	4.144	40	30		GIEBRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000038855792	570252548	/nfs/dbraw/zinc/25/25/48/570252548.db2.gz	PRDCTNCMHOOVEV-UHFFFAOYSA-N	1	0	391.515	4.231	40	30		GIEBRO
O=[N+]([O-])c1cccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000019682414	571028079	/nfs/dbraw/zinc/02/80/79/571028079.db2.gz	UWDNFNLEWLBWJO-KOEQRZSOSA-N	1	0	398.466	4.316	40	30		GIEBRO
CC1(C)C(c2ccc(F)cc2)[N+](=O)[C@]2(CCCCC2N=Nc2ccccc2)N1O	ZINC000013098292	818202390	/nfs/dbraw/zinc/20/23/90/818202390.db2.gz	HTTLVUYFABOQOC-UDXHRHDRSA-N	1	0	396.466	4.347	40	30		GIEBRO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](CC2CC2)C1	ZINC000072391180	518923210	/nfs/dbraw/zinc/92/32/10/518923210.db2.gz	ZBRUUQACIUFAGJ-RUZDIDTESA-N	1	0	389.543	4.086	40	30		GIEBRO
CC[NH+](CC)CCO/N=C1/C[C@H](c2ccc(OC)c(OC)c2)Oc2ccccc21	ZINC000017142217	520691144	/nfs/dbraw/zinc/69/11/44/520691144.db2.gz	OZKALSSMVORYTB-BQMBHYSLSA-N	1	0	398.503	4.290	40	30		GIEBRO
CC[NH+](CC)CCO/N=C1\C[C@@H](c2ccc(OC)c(OC)c2)Oc2ccccc21	ZINC000005567612	520691663	/nfs/dbraw/zinc/69/16/63/520691663.db2.gz	OZKALSSMVORYTB-FRSADPSXSA-N	1	0	398.503	4.290	40	30		GIEBRO
N#Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3cccc4[nH]ccc43)n2)cn1	ZINC000585294179	570263538	/nfs/dbraw/zinc/26/35/38/570263538.db2.gz	PBMMLMXUICPVNI-QFIPXVFZSA-N	1	0	395.470	4.305	40	30		GIEBRO
Cc1ccc(CCC[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585295043	570718763	/nfs/dbraw/zinc/71/87/63/570718763.db2.gz	YHMSURNUEXPGJI-IBGZPJMESA-N	1	0	393.516	4.246	40	30		GIEBRO
CCN(CC)[P+](c1ccc(OC)cc1OC)(N(CC)CC)N(CC)CC	ZINC000005369167	204128232	/nfs/dbraw/zinc/12/82/32/204128232.db2.gz	OTTJGVCKQVSMGA-UHFFFAOYSA-N	1	0	384.525	4.117	40	30		GIEBRO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](CC(C)C)C1	ZINC000072391185	518931111	/nfs/dbraw/zinc/93/11/11/518931111.db2.gz	PDGYPJXKFPTDPU-VWLOTQADSA-N	1	0	391.559	4.332	40	30		GIEBRO
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC1CCCC1)C2	ZINC000049171844	519283202	/nfs/dbraw/zinc/28/32/02/519283202.db2.gz	KJJCLABAUICZLD-SFTDATJTSA-N	1	0	379.548	4.488	40	30	biogenic,in-vitro	GIEBRO
CCOc1cc(C[NH2+]CCc2ccccc2)cc(Br)c1OCC#N	ZINC000036612805	520717527	/nfs/dbraw/zinc/71/75/27/520717527.db2.gz	MZEOKPLZJKRTAF-UHFFFAOYSA-N	1	0	389.293	4.082	40	30		GIEBRO
C=C(C)COc1cccc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1	ZINC000012344852	570236667	/nfs/dbraw/zinc/23/66/67/570236667.db2.gz	JWCPJKHZCGHRQB-UHFFFAOYSA-N	1	0	396.506	4.408	40	30		GIEBRO
C=CC[C@@H]1CC=C[C@H](CC=C)[N@@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000005188431	204117594	/nfs/dbraw/zinc/11/75/94/204117594.db2.gz	SBHWYMPHTLLVGA-XQQFMLRXSA-N	1	0	375.328	4.332	40	30		GIEBRO
CSC(=NC(=S)N(C)C)[N+](=c1nc(N(C)C)ss1)c1ccccc1	ZINC000018207111	525286170	/nfs/dbraw/zinc/28/61/70/525286170.db2.gz	CACVYLGVXIOLDW-PEZBUJJGSA-N	1	0	398.628	4.255	40	30		GIEBRO
C[C@@H]1C[C@H](OC[C@@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000017201384	525456963	/nfs/dbraw/zinc/45/69/63/525456963.db2.gz	PXLSRJKJVODEMP-QYZOEREBSA-N	1	0	394.600	4.478	40	30		GIEBRO
C=CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CC[NH+](CC2CC2)CC1	ZINC000257236509	570447238	/nfs/dbraw/zinc/44/72/38/570447238.db2.gz	HCMUPWPSPLPAEK-UHFFFAOYSA-N	1	0	389.543	4.086	40	30		GIEBRO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](CC2CC2)C1	ZINC000072391190	518923149	/nfs/dbraw/zinc/92/31/49/518923149.db2.gz	TZPZFVPQTDTRMI-RUZDIDTESA-N	1	0	389.543	4.086	40	30		GIEBRO
CC[NH+](CC)CCO/N=C1\C[C@H](c2ccc(OC)c(OC)c2)Oc2ccccc21	ZINC000005567610	520691104	/nfs/dbraw/zinc/69/11/04/520691104.db2.gz	OZKALSSMVORYTB-KZTRRMFKSA-N	1	0	398.503	4.290	40	30		GIEBRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000038855794	526661202	/nfs/dbraw/zinc/66/12/02/526661202.db2.gz	WVKDQKPCVJJCLD-UHFFFAOYSA-N	1	0	391.515	4.087	40	30		GIEBRO
Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)Nc3ccccc3)c(=O)[nH]c12	ZINC000008829029	570683165	/nfs/dbraw/zinc/68/31/65/570683165.db2.gz	NOSKXRNBSZIHFQ-UHFFFAOYSA-N	1	0	394.544	4.230	40	30		GIEBRO
N#Cc1ccccc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000585100359	570710717	/nfs/dbraw/zinc/71/07/17/570710717.db2.gz	JAFVSHPLAVNNPP-DEOSSOPVSA-N	1	0	391.490	4.358	40	30		GIEBRO
C#CCOc1ccccc1CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000036740519	518332706	/nfs/dbraw/zinc/33/27/06/518332706.db2.gz	GNBGSSCHYRUSIY-UHFFFAOYSA-N	1	0	391.559	4.405	40	30		GIEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1	ZINC000024671998	570404510	/nfs/dbraw/zinc/40/45/10/570404510.db2.gz	FDRJYBSRRWYJQK-OAQYLSRUSA-N	1	0	386.536	4.263	40	30		GIEBRO
N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1	ZINC000585100360	570711212	/nfs/dbraw/zinc/71/12/12/570711212.db2.gz	JAFVSHPLAVNNPP-XMMPIXPASA-N	1	0	391.490	4.358	40	30		GIEBRO
N#Cc1ccc(Nc2cccc([C@@H]3CCC[N@@H+]3CCOCc3ccccc3)n2)cn1	ZINC000585294536	570719233	/nfs/dbraw/zinc/71/92/33/570719233.db2.gz	HXGRQCFHMBFOHE-QHCPKHFHSA-N	1	0	399.498	4.446	40	30		GIEBRO
Cc1ccc(CCC[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1	ZINC000585293819	570720267	/nfs/dbraw/zinc/72/02/67/570720267.db2.gz	MMJFQQQKYGFJCN-NRFANRHFSA-N	1	0	388.475	4.158	40	30		GIEBRO
C[N@@H+]1CCc2nc(SCc3cccnc3)c(C#N)c(-c3ccsc3)c2C1	ZINC000019597317	818594629	/nfs/dbraw/zinc/59/46/29/818594629.db2.gz	XEDYHJIEOGJADV-UHFFFAOYSA-N	1	0	378.526	4.357	40	30		GIEBRO
COc1cccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1O	ZINC000019682257	818598186	/nfs/dbraw/zinc/59/81/86/818598186.db2.gz	BYKIBMZSNQDEBY-ONUIUJJFSA-N	1	0	399.494	4.122	40	30		GIEBRO
CCCCCCCCC(=O)NCCN(CC[NH3+])C(=O)CCCCCCCC	ZINC000073410108	222270291	/nfs/dbraw/zinc/27/02/91/222270291.db2.gz	VEWSIAVHSPXXPI-UHFFFAOYSA-N	1	0	383.621	4.391	40	30		GIEBRO
C#CCn1cc(C[N@H+]2CCN(Cc3ccccc3F)C[C@H]2C)c2ccccc21	ZINC000057731775	518345889	/nfs/dbraw/zinc/34/58/89/518345889.db2.gz	JZWIUTTZRLTWGZ-LJQANCHMSA-N	1	0	375.491	4.120	40	30		GIEBRO
C=C1[NH+]=C(SCc2ccccc2C#N)N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000408989754	528616805	/nfs/dbraw/zinc/61/68/05/528616805.db2.gz	LWYJSPQUZQIQQL-HXUWFJFHSA-N	1	0	391.496	4.329	40	30		GIEBRO
N#Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)cn1	ZINC000585294077	570717016	/nfs/dbraw/zinc/71/70/16/570717016.db2.gz	NNGAOUNTEFPDNE-JOCHJYFZSA-N	1	0	395.470	4.305	40	30		GIEBRO
C[C@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000095533051	524821945	/nfs/dbraw/zinc/82/19/45/524821945.db2.gz	PXLSRJKJVODEMP-IPMKNSEASA-N	1	0	394.600	4.478	40	30		GIEBRO
C=C1C[N+]2(CCCCC2)Cc2c1oc1c(OC)c3occc3c(OC)c1c2=O	ZINC000000608188	570250404	/nfs/dbraw/zinc/25/04/04/570250404.db2.gz	ADITXIOZDFZRAT-UHFFFAOYSA-N	1	0	382.436	4.084	40	30	in-man	GIEBRO
CCCCCCCCCCCC[N+](C)(C)CCn1cnc2c1ncnc2N	ZINC000104183945	570298910	/nfs/dbraw/zinc/29/89/10/570298910.db2.gz	JWKNJWAEUKXABH-UHFFFAOYSA-N	1	0	375.585	4.406	40	30		GIEBRO
C[C@@H]1C[C@H]2[C@H](C[N@@H+]3CC[C@H](C)CC(C)(C)C3)C(=O)O[C@@H]2[C@H]2[C@@H]3O[C@]3(C)CC[C@@H]12	ZINC000005529349	570663694	/nfs/dbraw/zinc/66/36/94/570663694.db2.gz	CYCHSGXOIJOGQH-SJFLEOHNSA-N	1	0	389.580	4.126	40	30		GIEBRO
Cc1cncc(C[NH+]2CCC(c3cccc(Nc4ccc(C#N)nc4)n3)CC2)c1	ZINC000585294847	570718920	/nfs/dbraw/zinc/71/89/20/570718920.db2.gz	VKOCDMGQTNHRFA-UHFFFAOYSA-N	1	0	384.487	4.175	40	30		GIEBRO
C#CCn1cc(C[NH+]2CCC(n3c(=O)oc4ccccc43)CC2)c2ccccc21	ZINC000012143884	206245922	/nfs/dbraw/zinc/24/59/22/206245922.db2.gz	KKKZEZYVGVNAIH-UHFFFAOYSA-N	1	0	385.467	4.020	40	30		GIEBRO
C=CCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cccc1OC	ZINC000012238115	221171750	/nfs/dbraw/zinc/17/17/50/221171750.db2.gz	IJQBDBKPVKTGSK-SVGJNIJCSA-N	1	0	397.490	4.414	40	30		GIEBRO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@H+](CC2CC2)C1	ZINC000072391189	518931229	/nfs/dbraw/zinc/93/12/29/518931229.db2.gz	TZPZFVPQTDTRMI-VWLOTQADSA-N	1	0	389.543	4.086	40	30		GIEBRO
CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NC1CCCC1)C2	ZINC000049171706	519347447	/nfs/dbraw/zinc/34/74/47/519347447.db2.gz	SKPYZSWOIDIIFS-VXKWHMMOSA-N	1	0	391.559	4.325	40	30	biogenic,in-vitro	GIEBRO
CC[N+]1(C)CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1	ZINC000005809208	570457998	/nfs/dbraw/zinc/45/79/98/570457998.db2.gz	ZHAKLYFQWBJDPB-RZDWYXQXSA-N	1	0	376.520	4.200	40	30		GIEBRO
Cc1cc(NN=Cc2ccc(Br)cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000031769269	570505811	/nfs/dbraw/zinc/50/58/11/570505811.db2.gz	PIPSBAMIIZHODF-UKWGHVSLSA-N	1	0	384.233	4.480	40	30		GIEBRO
N#Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+]3Cc3ccc4[nH]ccc4c3)n2)cn1	ZINC000585294079	570718805	/nfs/dbraw/zinc/71/88/05/570718805.db2.gz	NNGAOUNTEFPDNE-QFIPXVFZSA-N	1	0	395.470	4.305	40	30		GIEBRO
Cc1cccnc1C[NH+]1CCC(c2cccc(Nc3ccc(C#N)nc3)n2)CC1	ZINC000585293150	570720129	/nfs/dbraw/zinc/72/01/29/570720129.db2.gz	CVVQJZNTJGWYFZ-UHFFFAOYSA-N	1	0	384.487	4.175	40	30		GIEBRO
C=CC[C@H]1C=CC[C@H](CC=C)[N@H+]1C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000011565612	818095968	/nfs/dbraw/zinc/09/59/68/818095968.db2.gz	SBHWYMPHTLLVGA-RWMBFGLXSA-N	1	0	375.328	4.332	40	30		GIEBRO
CC1(C)Cc2ccccc2C(Nc2ccc(I)cc2)=N1	ZINC000001439838	206381781	/nfs/dbraw/zinc/38/17/81/206381781.db2.gz	JYNSLTQHYADFCX-UHFFFAOYSA-N	1	0	376.241	4.294	40	30		GIEBRO
C#CC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccc(OC)cc3)o2)C[C@H]1C(C)C	ZINC000030883288	560089692	/nfs/dbraw/zinc/08/96/92/560089692.db2.gz	YDWRGWSVWZPQKV-ONTIZHBOSA-N	1	0	393.531	4.365	40	30	biogenic,in-vitro	GIEBRO
C[NH+](C)CCO/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118926511	570368444	/nfs/dbraw/zinc/36/84/44/570368444.db2.gz	VDVFPECJIDUPKS-SBACHDCYSA-N	1	0	376.585	4.324	40	30		GIEBRO
C[N+]1(CC(=O)c2ccc(I)cc2)CCCc2ccccc21	ZINC000001667015	206388229	/nfs/dbraw/zinc/38/82/29/206388229.db2.gz	RJYGNZIGNQIWJA-UHFFFAOYSA-N	1	0	392.260	4.057	40	30		GIEBRO
C[C@@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000095533043	525457750	/nfs/dbraw/zinc/45/77/50/525457750.db2.gz	PXLSRJKJVODEMP-CEXWTWQISA-N	1	0	394.600	4.478	40	30		GIEBRO
C#CCn1cc(C[N@H+]2CCC[C@@H](n3c(=O)oc4ccccc43)C2)c2ccccc21	ZINC000012089313	206245747	/nfs/dbraw/zinc/24/57/47/206245747.db2.gz	MZRUVEDYNXRAPC-LJQANCHMSA-N	1	0	385.467	4.020	40	30		GIEBRO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](CCC)C1	ZINC000072391184	518923538	/nfs/dbraw/zinc/92/35/38/518923538.db2.gz	NDIKDDLJJHWHOZ-XMMPIXPASA-N	1	0	377.532	4.086	40	30		GIEBRO
C=C1[NH+]=C(SCc2ccccc2C#N)N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000408989752	528617034	/nfs/dbraw/zinc/61/70/34/528617034.db2.gz	LWYJSPQUZQIQQL-FQEVSTJZSA-N	1	0	391.496	4.329	40	30		GIEBRO
N#Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1	ZINC000049169739	560084134	/nfs/dbraw/zinc/08/41/34/560084134.db2.gz	AEXYEPNSNVRNKZ-SFHVURJKSA-N	1	0	383.455	4.003	40	30	biogenic,in-vitro	GIEBRO
CC[N+]1(C)CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1	ZINC000104274315	570300563	/nfs/dbraw/zinc/30/05/63/570300563.db2.gz	ZHAKLYFQWBJDPB-SNHPTFSESA-N	1	0	376.520	4.200	40	30		GIEBRO
N#Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2cccs2)cc1	ZINC000004883323	570354504	/nfs/dbraw/zinc/35/45/04/570354504.db2.gz	IGVGMJUCAUFERK-YQQQUEKLSA-N	1	0	380.517	4.327	40	30		GIEBRO
C=CCc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1OC	ZINC000224827536	570434709	/nfs/dbraw/zinc/43/47/09/570434709.db2.gz	GXIDOZLPSONIBJ-UHFFFAOYSA-N	1	0	378.516	4.340	40	30		GIEBRO
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[n+]1ccccc1	ZINC000118914760	570920788	/nfs/dbraw/zinc/92/07/88/570920788.db2.gz	JCXKLDMPWBYJSG-XQLFKHJGSA-N	1	0	394.579	4.483	40	30		GIEBRO
N#Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccccc5F)c43)C2)c1	ZINC000020503418	575369890	/nfs/dbraw/zinc/36/98/90/575369890.db2.gz	YTKLJTFPXWVRJG-VQTJNVASSA-N	1	0	399.469	4.145	40	30	biogenic,in-vitro	GIEBRO
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3cccs3)C2)c1	ZINC000020503495	575369899	/nfs/dbraw/zinc/36/98/99/575369899.db2.gz	GORPHNDCXLMGDP-PKOBYXMFSA-N	1	0	387.508	4.068	40	30	biogenic,in-vitro	GIEBRO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](C(C)C)C1	ZINC000019447906	518930713	/nfs/dbraw/zinc/93/07/13/518930713.db2.gz	LTQZYHGCAWITQY-DEOSSOPVSA-N	1	0	377.532	4.084	40	30		GIEBRO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCC[N@H+](CC2CC2)C1	ZINC000072391179	518931407	/nfs/dbraw/zinc/93/14/07/518931407.db2.gz	ZBRUUQACIUFAGJ-VWLOTQADSA-N	1	0	389.543	4.086	40	30		GIEBRO
C=CCc1cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1OC	ZINC000224670234	570425172	/nfs/dbraw/zinc/42/51/72/570425172.db2.gz	YPWXNDKZTHZMME-UHFFFAOYSA-N	1	0	378.516	4.340	40	30		GIEBRO
N#Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+]3Cc3cccc4[nH]ccc43)n2)cn1	ZINC000585294178	570720431	/nfs/dbraw/zinc/72/04/31/570720431.db2.gz	PBMMLMXUICPVNI-JOCHJYFZSA-N	1	0	395.470	4.305	40	30		GIEBRO
C=CC[NH2+]Cc1cc(Br)ccc1OCC(=O)Nc1ccccc1C	ZINC000036612692	518953697	/nfs/dbraw/zinc/95/36/97/518953697.db2.gz	MMEZPYGPKDRSOP-UHFFFAOYSA-N	1	0	389.293	4.051	40	30		GIEBRO
C=CCc1ccccc1OC[C@H](S)C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000095532725	519147126	/nfs/dbraw/zinc/14/71/26/519147126.db2.gz	AZYGVVDETYHQBH-OAQYLSRUSA-N	1	0	386.536	4.054	40	30		GIEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(Cl)cc3)n2)cc1	ZINC000020555629	570277597	/nfs/dbraw/zinc/27/75/97/570277597.db2.gz	VELSZWOBNWZOOS-UHFFFAOYSA-N	1	0	399.907	4.082	40	30		GIEBRO
CN(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cc1	ZINC000585295424	570718381	/nfs/dbraw/zinc/71/83/81/570718381.db2.gz	YYZYACGSCLFBDW-QHCPKHFHSA-N	1	0	398.514	4.495	40	30		GIEBRO
C=CCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1	ZINC000223003066	571045864	/nfs/dbraw/zinc/04/58/64/571045864.db2.gz	JWNWBQZJSPMKSF-CQSZACIVSA-N	1	0	388.562	4.300	40	30		GIEBRO
N#Cc1ccccc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1	ZINC000585100144	570711242	/nfs/dbraw/zinc/71/12/42/570711242.db2.gz	GTXMDJOXTUHFCC-DEOSSOPVSA-N	1	0	391.490	4.358	40	30		GIEBRO
Cc1ccc(C[NH+]2CCC(c3cc(Nc4ccc(C#N)nc4)nc(C)n3)CC2)o1	ZINC000585294759	570718783	/nfs/dbraw/zinc/71/87/83/570718783.db2.gz	JKJRGRQIPCGZCY-UHFFFAOYSA-N	1	0	388.475	4.076	40	30		GIEBRO
O=[N+](Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	ZINC000255188083	231043348	/nfs/dbraw/zinc/04/33/48/231043348.db2.gz	INKDOTWPWWRMEP-STZFKDTASA-N	1	0	387.844	4.369	40	30		GIEBRO
CC[N+]1(C)CC[C@](O)(/C=C\c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1	ZINC000104274310	523633632	/nfs/dbraw/zinc/63/36/32/523633632.db2.gz	ZHAKLYFQWBJDPB-XWRUPXFESA-N	1	0	376.520	4.200	40	30		GIEBRO
C=CCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cccc1OC	ZINC000012345955	570237079	/nfs/dbraw/zinc/23/70/79/570237079.db2.gz	ZLIRGENKUOILJW-SVGJNIJCSA-N	1	0	397.490	4.414	40	30		GIEBRO
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000022026951	570319400	/nfs/dbraw/zinc/31/94/00/570319400.db2.gz	BADDKPRGLWEUCH-WYRTVWCHSA-N	1	0	375.516	4.022	40	30		GIEBRO
COc1cc2c(cc1OC)C(=O)/C(=C\C1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000022055510	570303525	/nfs/dbraw/zinc/30/35/25/570303525.db2.gz	LPMOTUSFDTTWJL-NDENLUEZSA-N	1	0	377.484	4.281	40	30	in-vitro	GIEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1cccs1	ZINC000024672158	570404188	/nfs/dbraw/zinc/40/41/88/570404188.db2.gz	RACPBPJBXDVVLC-LJQANCHMSA-N	1	0	392.565	4.325	40	30		GIEBRO
COc1ccccc1/C=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682438	571028353	/nfs/dbraw/zinc/02/83/53/571028353.db2.gz	BNBJUOZMVQGVDM-ITYLOYPMSA-N	1	0	383.495	4.417	40	30		GIEBRO
N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3ccc(F)cc3)C2)c1	ZINC000020503498	575369905	/nfs/dbraw/zinc/36/99/05/575369905.db2.gz	ZFTAOVXWJPSTAF-PZJWPPBQSA-N	1	0	399.469	4.145	40	30	biogenic,in-vitro	GIEBRO
C=C(C)COc1cccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1	ZINC000219795017	209184988	/nfs/dbraw/zinc/18/49/88/209184988.db2.gz	BEFJRNLFNIYOEV-UHFFFAOYSA-N	1	0	380.488	4.367	40	30		GIEBRO
C[C@@H]1C[C@@H](OC[C@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000095533049	525284026	/nfs/dbraw/zinc/28/40/26/525284026.db2.gz	PXLSRJKJVODEMP-GUDVDZBRSA-N	1	0	394.600	4.478	40	30		GIEBRO
Cc1ccc(CCC[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585295044	570274937	/nfs/dbraw/zinc/27/49/37/570274937.db2.gz	YHMSURNUEXPGJI-LJQANCHMSA-N	1	0	393.516	4.246	40	30		GIEBRO
CSC(=NC(=S)N(C)C)[N+](=c1nc(N(C)C)ss1)c1ccccc1	ZINC000104276804	570300512	/nfs/dbraw/zinc/30/05/12/570300512.db2.gz	CACVYLGVXIOLDW-JQIJEIRASA-N	1	0	398.628	4.255	40	30		GIEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1cccs1	ZINC000024672152	570404330	/nfs/dbraw/zinc/40/43/30/570404330.db2.gz	RACPBPJBXDVVLC-IBGZPJMESA-N	1	0	392.565	4.325	40	30		GIEBRO
C[NH+](C)CCO/N=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000004921436	570418391	/nfs/dbraw/zinc/41/83/91/570418391.db2.gz	VDVFPECJIDUPKS-YARFRRPMSA-N	1	0	376.585	4.324	40	30		GIEBRO
Cc1cc(NN=Cc2ccc(Br)cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000005552535	570445939	/nfs/dbraw/zinc/44/59/39/570445939.db2.gz	PIPSBAMIIZHODF-AWQFTUOYSA-N	1	0	384.233	4.480	40	30		GIEBRO
O=[N+]([O-])c1ccccc1/C=N\N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000019682277	571028349	/nfs/dbraw/zinc/02/83/49/571028349.db2.gz	YDZTVMFLSZTBCN-UQQQWYQISA-N	1	0	398.466	4.316	40	30		GIEBRO
C=CCc1cc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc(OC)c1OC	ZINC000012143435	209161437	/nfs/dbraw/zinc/16/14/37/209161437.db2.gz	XGFDTCOCFFFVAU-UHFFFAOYSA-N	1	0	392.503	4.083	40	30		GIEBRO
O=[N+]([O-])c1cccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)c1	ZINC000016524083	570927275	/nfs/dbraw/zinc/92/72/75/570927275.db2.gz	UWDNFNLEWLBWJO-UQQQWYQISA-N	1	0	398.466	4.316	40	30		GIEBRO
C#CCOc1cccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000013992735	518331277	/nfs/dbraw/zinc/33/12/77/518331277.db2.gz	AVRGXJPRODUSFV-UHFFFAOYSA-N	1	0	391.559	4.405	40	30		GIEBRO
C#CCOc1ccccc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992738	518333122	/nfs/dbraw/zinc/33/31/22/518333122.db2.gz	OLWRMSMISLGWHA-UHFFFAOYSA-N	1	0	391.559	4.405	40	30		GIEBRO
CC1=C[C@@H](C[N@H+](C)CCC#N)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1	ZINC000030882912	560089642	/nfs/dbraw/zinc/08/96/42/560089642.db2.gz	VGJRAUJCHRODHZ-ACRUOGEOSA-N	1	0	393.535	4.374	40	30	biogenic,in-vitro	GIEBRO
C=CCn1ncc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1C	ZINC000012118212	570235901	/nfs/dbraw/zinc/23/59/01/570235901.db2.gz	JPNJLMGEQCVPNX-UHFFFAOYSA-N	1	0	381.568	4.084	40	30		GIEBRO
Cc1cccnc1C[NH+]1CCC(c2csc(Nc3cc(C#N)ccn3)n2)CC1	ZINC000585294773	570274660	/nfs/dbraw/zinc/27/46/60/570274660.db2.gz	KBSSAOVMRAWZAB-UHFFFAOYSA-N	1	0	390.516	4.236	40	30		GIEBRO
C=CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1	ZINC000223134671	571094161	/nfs/dbraw/zinc/09/41/61/571094161.db2.gz	TWFVVUABTCAKEF-UHFFFAOYSA-N	1	0	388.562	4.300	40	30		GIEBRO
C=CCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cccc1OC	ZINC000012238113	209164511	/nfs/dbraw/zinc/16/45/11/209164511.db2.gz	ZIDIXLVNOMAIQS-QRQCMCJISA-N	1	0	397.490	4.414	40	30		GIEBRO
C=C[C@H]1C[N@H+]2CC[C@@H]1C[C@H]2[C@H](OC(=O)OCC)c1ccnc2ccc(OC)cc21	ZINC000003873993	209139051	/nfs/dbraw/zinc/13/90/51/209139051.db2.gz	NSBRKSWSLRQPJW-VYXDICFBSA-N	1	0	396.487	4.354	40	30	in-man	GIEBRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000020493551	518941855	/nfs/dbraw/zinc/94/18/55/518941855.db2.gz	QBVHMTUZCJRNKD-SFHVURJKSA-N	1	0	391.515	4.087	40	30		GIEBRO
C=CCc1ccccc1OC[C@@H](S)C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000095532727	519146763	/nfs/dbraw/zinc/14/67/63/519146763.db2.gz	AZYGVVDETYHQBH-NRFANRHFSA-N	1	0	386.536	4.054	40	30		GIEBRO
C#CC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C	ZINC000030883492	560089705	/nfs/dbraw/zinc/08/97/05/560089705.db2.gz	DHPVXHJNZKITQN-BJLQDIEVSA-N	1	0	381.495	4.496	40	30	biogenic,in-vitro	GIEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(Cl)c3)n2)cc1	ZINC000020555650	570277668	/nfs/dbraw/zinc/27/76/68/570277668.db2.gz	GYJCNXCVJBERLH-UHFFFAOYSA-N	1	0	399.907	4.082	40	30		GIEBRO
N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccc(F)cc3)C2)c1	ZINC000020503306	575369885	/nfs/dbraw/zinc/36/98/85/575369885.db2.gz	YLSRTKGUUIPNPX-PZJWPPBQSA-N	1	0	399.469	4.145	40	30	biogenic,in-vitro	GIEBRO
C[C@@H]1C[C@@H](OC[C@@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000017201380	525283667	/nfs/dbraw/zinc/28/36/67/525283667.db2.gz	PXLSRJKJVODEMP-QRVBRYPASA-N	1	0	394.600	4.478	40	30		GIEBRO
C#CC[N@@H+](C)C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C	ZINC000030882924	560089646	/nfs/dbraw/zinc/08/96/46/560089646.db2.gz	IVXCKRAQVMGOQV-ACRUOGEOSA-N	1	0	378.520	4.094	40	30	biogenic,in-vitro	GIEBRO
N#Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccc(F)cc2)cc1	ZINC000035289790	570304776	/nfs/dbraw/zinc/30/47/76/570304776.db2.gz	AEJNCFNVFYDMSE-FRIKZZABSA-N	1	0	392.478	4.405	40	30		GIEBRO
C[N+]1(C)c2ccccc2C(=O)C(I)=C1c1ccccc1	ZINC000026897559	570451565	/nfs/dbraw/zinc/45/15/65/570451565.db2.gz	XLPPTFPQRKQRLZ-UHFFFAOYSA-N	1	0	376.217	4.254	40	30		GIEBRO
CN(C)c1ccc(C[N+](=O)[C@@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000003667111	817494078	/nfs/dbraw/zinc/49/40/78/817494078.db2.gz	IJQPZUJJXOQMLE-OQLNFPPLSA-N	1	0	399.585	4.320	40	30		GIEBRO
CN(C)c1ccc(C[N+](=O)[C@H]2N(Cc3ccccc3)C(=S)SC2(C)C)cc1	ZINC000003667109	817494354	/nfs/dbraw/zinc/49/43/54/817494354.db2.gz	IJQPZUJJXOQMLE-YPFLROGLSA-N	1	0	399.585	4.320	40	30		GIEBRO
COc1ccc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1	ZINC000017025233	524379749	/nfs/dbraw/zinc/37/97/49/524379749.db2.gz	IXQHVHXWPFKNRH-UHFFFAOYSA-O	1	0	377.489	4.342	40	30		GIEBRO
N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@H+](Cc3ccccc3)C2)c1	ZINC000005413590	560201784	/nfs/dbraw/zinc/20/17/84/560201784.db2.gz	RSQUVKQASSKEPB-RBBKRZOGSA-N	1	0	381.479	4.006	40	30	biogenic,in-vitro	GIEBRO
CC1(C)C(c2cccs2)[N+](=O)[C@]2(CCCCC2N=Nc2ccccc2)N1O	ZINC000007787368	570343073	/nfs/dbraw/zinc/34/30/73/570343073.db2.gz	ADHBXXMCNQLVJS-LCMCWVSWSA-N	1	0	384.505	4.269	40	30		GIEBRO
CC1(C)C(c2cccs2)[N+](=O)[C@@]2(CCCCC2N=Nc2ccccc2)N1O	ZINC000007787369	570343188	/nfs/dbraw/zinc/34/31/88/570343188.db2.gz	ADHBXXMCNQLVJS-RWVGPTSPSA-N	1	0	384.505	4.269	40	30		GIEBRO
O=C(C[n+]1ccccc1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCC2	ZINC000004889464	570643500	/nfs/dbraw/zinc/64/35/00/570643500.db2.gz	KAHVLMLNLZHNKT-UHFFFAOYSA-O	1	0	397.907	4.047	40	30		GIEBRO
CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ccc(C#N)nc3)n2)cc1	ZINC000585295423	570717914	/nfs/dbraw/zinc/71/79/14/570717914.db2.gz	YYZYACGSCLFBDW-HSZRJFAPSA-N	1	0	398.514	4.495	40	30		GIEBRO
C=CCOc1c(Cl)cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000007274902	570757880	/nfs/dbraw/zinc/75/78/80/570757880.db2.gz	JMPUZLOTKMGSBU-UHFFFAOYSA-N	1	0	391.855	4.023	40	30		GIEBRO
C=C(C)COc1ccccc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1	ZINC000012344794	570237100	/nfs/dbraw/zinc/23/71/00/570237100.db2.gz	ICWINVKBSPDBCP-UHFFFAOYSA-N	1	0	396.506	4.408	40	30		GIEBRO
CN(C)c1ccc(/C=[NH+]\N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000012467159	570671549	/nfs/dbraw/zinc/67/15/49/570671549.db2.gz	RNIQDJHIYCOASO-DIBXZPPDSA-N	1	0	396.538	4.474	40	30		GIEBRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(/N=C/c2ccccc2O)cc1	ZINC000004737193	817533808	/nfs/dbraw/zinc/53/38/08/817533808.db2.gz	CKLAPKVEJOKEHE-QHJPAULQSA-N	1	0	382.504	4.145	40	30		GIEBRO
C#CCOc1cccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1	ZINC000036740518	518330455	/nfs/dbraw/zinc/33/04/55/518330455.db2.gz	UVHLQXWMNZBNBO-UHFFFAOYSA-N	1	0	391.559	4.405	40	30		GIEBRO
C=C(C)COc1cccc(C[NH+]2CCC(NC(C)=O)(c3ccccc3F)CC2)c1	ZINC000012344846	570236721	/nfs/dbraw/zinc/23/67/21/570236721.db2.gz	KZSVHYIZXGRUQU-UHFFFAOYSA-N	1	0	396.506	4.408	40	30		GIEBRO
C=CC[NH+](CC=C)CCNc1cc(C)nc(Nc2nc3cc(Cl)ccc3[nH]2)n1	ZINC000001706643	570252393	/nfs/dbraw/zinc/25/23/93/570252393.db2.gz	SASMBUVNGXXJEA-UHFFFAOYSA-N	1	0	397.914	4.144	40	30		GIEBRO
Cc1[nH]c2ccc(NC=c3c(C)c(C#N)c4nc5ccccc5n4c3=O)cc2[nH+]1	ZINC000100931202	570279526	/nfs/dbraw/zinc/27/95/26/570279526.db2.gz	YBZCNDKEKDZAKG-MYKKPKGFSA-N	1	0	380.411	4.309	40	30		GIEBRO
C=CCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1	ZINC000225543380	570456637	/nfs/dbraw/zinc/45/66/37/570456637.db2.gz	VHCUJGGGYUKVAF-UHFFFAOYSA-N	1	0	388.562	4.445	40	30		GIEBRO
C=CC[C@H]1C=CC[C@H](CC=C)[N@H+]1C[C@H](O)C(F)(F)C(F)(F)C(F)(F)F	ZINC000005188448	817558451	/nfs/dbraw/zinc/55/84/51/817558451.db2.gz	SBHWYMPHTLLVGA-AVGNSLFASA-N	1	0	375.328	4.332	40	30		GIEBRO
CC1(C)C(c2ccc(F)cc2)[N+](=O)[C@@]2(CCCCC2N=Nc2ccccc2)N1O	ZINC000013098293	818202429	/nfs/dbraw/zinc/20/24/29/818202429.db2.gz	HTTLVUYFABOQOC-ZUGOUDHMSA-N	1	0	396.466	4.347	40	30		GIEBRO
CCOC(=O)C[N+]1(CCOC(c2ccccc2)c2ccccc2)CCCCC1	ZINC000004769299	220762715	/nfs/dbraw/zinc/76/27/15/220762715.db2.gz	PPCULPDJEWFXPP-UHFFFAOYSA-N	1	0	382.524	4.356	40	30		GIEBRO
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000020493550	518942059	/nfs/dbraw/zinc/94/20/59/518942059.db2.gz	QBVHMTUZCJRNKD-GOSISDBHSA-N	1	0	391.515	4.087	40	30		GIEBRO
Cc1ccc(CCC[N@@H+]2CCC[C@@H]2c2ccnc(Nc3ccc(C#N)nc3)n2)o1	ZINC000585293986	570263587	/nfs/dbraw/zinc/26/35/87/570263587.db2.gz	MMJFQQQKYGFJCN-OAQYLSRUSA-N	1	0	388.475	4.158	40	30		GIEBRO
C[NH+](C)CCO/N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118926506	570368322	/nfs/dbraw/zinc/36/83/22/570368322.db2.gz	VDVFPECJIDUPKS-CUFJGHKNSA-N	1	0	376.585	4.324	40	30		GIEBRO
CCCc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585293372	570719201	/nfs/dbraw/zinc/71/92/01/570719201.db2.gz	GBUMWKQDMKQXOF-LJQANCHMSA-N	1	0	393.516	4.458	40	30		GIEBRO
CCN(CC)c1ccc(/C=[NH+]\N2CCN(Cc3ccccc3Cl)CC2)cc1	ZINC000013633122	570764514	/nfs/dbraw/zinc/76/45/14/570764514.db2.gz	IEFBPLMVUXKBJU-ULJHMMPZSA-N	1	0	384.955	4.338	40	30		GIEBRO
C=CCOc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000008471123	570768894	/nfs/dbraw/zinc/76/88/94/570768894.db2.gz	RNCGJFIOYOTYRP-UHFFFAOYSA-N	1	0	391.855	4.023	40	30		GIEBRO
CCN(CC)c1ccc(/C=[NH+]\N2CCN(c3ccc(Cl)cc3)CC2)c(O)c1	ZINC000016677851	570930285	/nfs/dbraw/zinc/93/02/85/570930285.db2.gz	NNVUKSRBNFSAPE-KQWNVCNZSA-N	1	0	386.927	4.048	40	30		GIEBRO
COc1cc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)ccc1O	ZINC000019682384	571028322	/nfs/dbraw/zinc/02/83/22/571028322.db2.gz	OEBNMGHOOCNHIT-ONUIUJJFSA-N	1	0	399.494	4.122	40	30		GIEBRO
C#CCn1cc(C[N@H+]2CCC[C@H](n3c(=O)oc4ccccc43)C2)c2ccccc21	ZINC000012089314	212095825	/nfs/dbraw/zinc/09/58/25/212095825.db2.gz	MZRUVEDYNXRAPC-IBGZPJMESA-N	1	0	385.467	4.020	40	30		GIEBRO
COc1cccc(NC(=S)C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)c1	ZINC000017025359	526138380	/nfs/dbraw/zinc/13/83/80/526138380.db2.gz	XITUKVJFSWQJTJ-UHFFFAOYSA-O	1	0	377.489	4.342	40	30		GIEBRO
Cc1n(C(F)F)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1	ZINC000006391828	526477515	/nfs/dbraw/zinc/47/75/15/526477515.db2.gz	VBLOGBNHIUSRTG-UHFFFAOYSA-N	1	0	380.212	4.278	40	30		GIEBRO
N#Cc1ccccc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1	ZINC000585100145	570710768	/nfs/dbraw/zinc/71/07/68/570710768.db2.gz	GTXMDJOXTUHFCC-XMMPIXPASA-N	1	0	391.490	4.358	40	30		GIEBRO
O/N=C1/[C@H](N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[C@@H]2CC[C@H]1C2	ZINC000019369402	570925301	/nfs/dbraw/zinc/92/53/01/570925301.db2.gz	BADDKPRGLWEUCH-UBJJPWDWSA-N	1	0	375.516	4.022	40	30		GIEBRO
CCCc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncc(C#N)s3)n2)o1	ZINC000585293366	570717356	/nfs/dbraw/zinc/71/73/56/570717356.db2.gz	GBUMWKQDMKQXOF-IBGZPJMESA-N	1	0	393.516	4.458	40	30		GIEBRO
N#Cc1ccc(Nc2cccc([C@H]3CCC[N@@H+]3CCOCc3ccccc3)n2)cn1	ZINC000585294534	570717878	/nfs/dbraw/zinc/71/78/78/570717878.db2.gz	HXGRQCFHMBFOHE-HSZRJFAPSA-N	1	0	399.498	4.446	40	30		GIEBRO
Cc1cncc(C[NH+]2CCC(c3csc(Nc4cc(C#N)ccn4)n3)CC2)c1	ZINC000585293831	570719352	/nfs/dbraw/zinc/71/93/52/570719352.db2.gz	ASXMBJFAXHMFBI-UHFFFAOYSA-N	1	0	390.516	4.236	40	30		GIEBRO
O=[N+]([O-])c1ccc(/C=N\N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000016524081	570927496	/nfs/dbraw/zinc/92/74/96/570927496.db2.gz	HFGIHQMJIYXAIG-UQQQWYQISA-N	1	0	398.466	4.316	40	30		GIEBRO
C=CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1OC	ZINC000044874686	570928892	/nfs/dbraw/zinc/92/88/92/570928892.db2.gz	RBCVSLFVCKTOMD-UHFFFAOYSA-N	1	0	378.516	4.340	40	30		GIEBRO
Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000020503218	575369683	/nfs/dbraw/zinc/36/96/83/575369683.db2.gz	FTHNQIMOKZAOOH-FCHUYYIVSA-N	1	0	395.506	4.315	40	30	biogenic,in-vitro	GIEBRO
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C[n+]1ccccc1	ZINC000004293012	220701948	/nfs/dbraw/zinc/70/19/48/220701948.db2.gz	JCXKLDMPWBYJSG-AMKJHPCNSA-N	1	0	394.579	4.483	40	30		GIEBRO
C=CCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1	ZINC000260810750	570707257	/nfs/dbraw/zinc/70/72/57/570707257.db2.gz	JWNWBQZJSPMKSF-AWEZNQCLSA-N	1	0	388.562	4.300	40	30		GIEBRO
O=[N+]([O-])c1ccc(/C=N/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682449	571028234	/nfs/dbraw/zinc/02/82/34/571028234.db2.gz	HFGIHQMJIYXAIG-KOEQRZSOSA-N	1	0	398.466	4.316	40	30		GIEBRO
C#CCOc1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740514	518323714	/nfs/dbraw/zinc/32/37/14/518323714.db2.gz	CQTPNHVSCUZUTA-UHFFFAOYSA-N	1	0	391.559	4.405	40	30		GIEBRO
C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](CCC)C1	ZINC000072391183	518931123	/nfs/dbraw/zinc/93/11/23/518931123.db2.gz	NDIKDDLJJHWHOZ-DEOSSOPVSA-N	1	0	377.532	4.086	40	30		GIEBRO
CC[NH+](CC)CCO/N=C1/C[C@@H](c2ccc(OC)c(OC)c2)Oc2ccccc21	ZINC000016941751	520692230	/nfs/dbraw/zinc/69/22/30/520692230.db2.gz	OZKALSSMVORYTB-JPVAHNOFSA-N	1	0	398.503	4.290	40	30		GIEBRO
Cc1ccc(SCc2cc(=O)[nH]c(NC(=[NH2+])Nc3ccc(C)cc3C)n2)cc1	ZINC000020477901	525662422	/nfs/dbraw/zinc/66/24/22/525662422.db2.gz	QVYGHVMSSMFNTO-UHFFFAOYSA-N	1	0	393.516	4.046	40	30		GIEBRO
C[NH+](C)CCO/N=C1\CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000118926516	570368455	/nfs/dbraw/zinc/36/84/55/570368455.db2.gz	VDVFPECJIDUPKS-KJFKJYMMSA-N	1	0	376.585	4.324	40	30		GIEBRO
CC(=O)Nc1ccc(Cc2cc[n+](CC(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000004713646	570636562	/nfs/dbraw/zinc/63/65/62/570636562.db2.gz	SBZKXWHPTORURC-UHFFFAOYSA-O	1	0	379.867	4.060	40	30		GIEBRO
C[C@H]1C[C@H](OC[C@H](S)C[NH+]2CCN(c3ccccc3F)CC2)CC(C)(C)C1	ZINC000095533047	524937032	/nfs/dbraw/zinc/93/70/32/524937032.db2.gz	PXLSRJKJVODEMP-GBESFXJTSA-N	1	0	394.600	4.478	40	30		GIEBRO
C=CCc1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc(OC)c1O	ZINC000012345163	570236709	/nfs/dbraw/zinc/23/67/09/570236709.db2.gz	UAIINZYYAZSDAP-SVGJNIJCSA-N	1	0	397.490	4.283	40	30		GIEBRO
NOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1Cc1ccccc1	ZINC000015769793	570239564	/nfs/dbraw/zinc/23/95/64/570239564.db2.gz	MDIJLDNKJGVSMH-UHFFFAOYSA-N	1	0	381.455	4.387	40	30		GIEBRO
CCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1	ZINC000104131498	570298051	/nfs/dbraw/zinc/29/80/51/570298051.db2.gz	NRPVMEYJAOKADP-UHFFFAOYSA-O	1	0	396.555	4.483	40	30		GIEBRO
CC[N+]1(C)CC[C@](O)(/C=C/c2ccccc2)[C@H](C(=O)C=Cc2ccccc2)C1	ZINC000104274321	570300694	/nfs/dbraw/zinc/30/06/94/570300694.db2.gz	ZHAKLYFQWBJDPB-FFTDMEADSA-N	1	0	376.520	4.200	40	30		GIEBRO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](C(C)C)C1	ZINC000019447908	518921231	/nfs/dbraw/zinc/92/12/31/518921231.db2.gz	LTQZYHGCAWITQY-XMMPIXPASA-N	1	0	377.532	4.084	40	30		GIEBRO
C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](CC(C)C)C1	ZINC000072391186	518923401	/nfs/dbraw/zinc/92/34/01/518923401.db2.gz	PDGYPJXKFPTDPU-RUZDIDTESA-N	1	0	391.559	4.332	40	30		GIEBRO
CCCC[NH+](CCCC)CCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1	ZINC000024671989	570404505	/nfs/dbraw/zinc/40/45/05/570404505.db2.gz	FDRJYBSRRWYJQK-NRFANRHFSA-N	1	0	386.536	4.263	40	30		GIEBRO
O=C(ON=C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1	ZINC000004866595	570641227	/nfs/dbraw/zinc/64/12/27/570641227.db2.gz	QRWKBPWOCIRQDN-UHFFFAOYSA-N	1	0	387.277	4.258	40	30		GIEBRO