smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1ccc(Oc2ccc(NC3=[NH+]CCC3)cc2)cc1	ZINC000004064079	230368230	/nfs/dbraw/zinc/36/82/30/230368230.db2.gz	RZGLNPUCMSFEAM-UHFFFAOYSA-N	1	0	252.317	4.083	40	0		CIABRO
Cc1[nH+]c2cc(C(F)(F)F)ccc2c(N)c1C(C)C	ZINC000095534965	185007958	/nfs/dbraw/zinc/00/79/58/185007958.db2.gz	JFFBSYFGZXYDSN-UHFFFAOYSA-N	1	0	268.282	4.268	40	0		CIABRO
CC(C)C[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1	ZINC000113704060	186590871	/nfs/dbraw/zinc/59/08/71/186590871.db2.gz	QCGJGJVVTOODHS-UHFFFAOYSA-N	1	0	296.336	4.242	40	0		CIABRO
c1ccc(-c2nc3cc(C[NH+]4CCCC4)ccc3o2)cc1	ZINC000216789290	189706552	/nfs/dbraw/zinc/70/65/52/189706552.db2.gz	RNYLTMRZNDGSFM-UHFFFAOYSA-N	1	0	278.355	4.091	40	0		CIABRO
CC[C@H](C)[NH2+][C@H](C)c1ccccc1OC1CCCC1	ZINC000225160109	189744729	/nfs/dbraw/zinc/74/47/29/189744729.db2.gz	PGIZRHHLWFSQAS-UONOGXRCSA-N	1	0	261.409	4.457	40	0		CIABRO
Fc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)s1	ZINC000256053317	190004866	/nfs/dbraw/zinc/00/48/66/190004866.db2.gz	QYSOVYZQRUVGBQ-UHFFFAOYSA-N	1	0	289.297	4.196	40	0		CIABRO
Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cccc2nccn21	ZINC000257254108	190020807	/nfs/dbraw/zinc/02/08/07/190020807.db2.gz	KBQMPLXVMPPNHL-AWEZNQCLSA-N	1	0	297.427	4.041	40	0		CIABRO
CCCCNc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C	ZINC000072213602	256712841	/nfs/dbraw/zinc/71/28/41/256712841.db2.gz	WUUWQFHALGLGHW-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CN1Cc2ccccc2/C(=C/CC[NH+](C)C)c2ccccc21	ZINC000001482052	169709240	/nfs/dbraw/zinc/70/92/40/169709240.db2.gz	YFFIQHDMUUCCJP-PDGQHHTCSA-N	1	0	292.426	4.020	40	0	in-man	CIABRO
CC[NH+](CC)CCCOC(=O)CC1CCCCCCC1	ZINC000004801984	170019480	/nfs/dbraw/zinc/01/94/80/170019480.db2.gz	JUZVRVQAFXYLFM-UHFFFAOYSA-N	1	0	283.456	4.012	40	0		CIABRO
CC[C@@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1	ZINC000004926922	170041730	/nfs/dbraw/zinc/04/17/30/170041730.db2.gz	KNYJWMWPKUJWLD-CQSZACIVSA-N	1	0	255.361	4.367	40	0		CIABRO
CC(C)(C)[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000004991040	170050697	/nfs/dbraw/zinc/05/06/97/170050697.db2.gz	ZCTKIUWMGOTRNW-ROUUACIJSA-N	1	0	293.410	4.341	40	0		CIABRO
C[n+]1ccccc1/C=C/c1cccc(Oc2ccccc2)c1	ZINC000005002309	170053221	/nfs/dbraw/zinc/05/32/21/170053221.db2.gz	HHNJOKOAJYVDNQ-BUHFOSPRSA-N	1	0	288.370	4.474	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CCCC[C@@H]3C[C@H]12	ZINC000005082443	170065046	/nfs/dbraw/zinc/06/50/46/170065046.db2.gz	JUPDIHMJFPDGMY-HBUWYVDXSA-N	1	0	280.415	4.277	40	0		CIABRO
Oc1ccc([C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000006580582	170215236	/nfs/dbraw/zinc/21/52/36/170215236.db2.gz	OMBBVTBMGDQASV-IBGZPJMESA-N	1	0	281.399	4.162	40	0		CIABRO
CC(C)n1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1	ZINC000007343618	170277921	/nfs/dbraw/zinc/27/79/21/170277921.db2.gz	QHQYNWJCUYEWCA-CQSZACIVSA-N	1	0	271.408	4.164	40	0		CIABRO
C[C@@H]([NH2+]Cc1ccsc1)C12CC3CC(CC(C3)C1)C2	ZINC000007524959	170288981	/nfs/dbraw/zinc/28/89/81/170288981.db2.gz	SEBYFXRWYKLXEU-LMWIKNPDSA-N	1	0	275.461	4.443	40	0		CIABRO
C[NH2+][C@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1	ZINC000021981369	171344298	/nfs/dbraw/zinc/34/42/98/171344298.db2.gz	PLXKZKLXYHLWHR-OAHLLOKOSA-N	1	0	265.828	4.396	40	0	in-vitro	CIABRO
CCCC[NH2+]Cc1cc(Cl)ccc1OCCCC	ZINC000072209105	176342830	/nfs/dbraw/zinc/34/28/30/176342830.db2.gz	JASUPCQGAKEBGE-UHFFFAOYSA-N	1	0	269.816	4.409	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1	ZINC000072217485	567920666	/nfs/dbraw/zinc/92/06/66/567920666.db2.gz	WGQAZXZYYLSNJB-HNNXBMFYSA-N	1	0	278.465	4.375	40	0		CIABRO
[NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000070452870	567930696	/nfs/dbraw/zinc/93/06/96/567930696.db2.gz	JCLUCLDXBZZIJD-GZMMTYOYSA-N	1	0	268.143	4.068	40	0		CIABRO
[NH3+][C@@H]1C[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000070452883	567116432	/nfs/dbraw/zinc/11/64/32/567116432.db2.gz	IRCAGZBVTLTZJK-GXSJLCMTSA-N	1	0	268.143	4.068	40	0		CIABRO
Clc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1Cl	ZINC000070209428	567116566	/nfs/dbraw/zinc/11/65/66/567116566.db2.gz	UOWYFERBGSCIER-HNNXBMFYSA-N	1	0	278.182	4.229	40	0		CIABRO
C[NH+]1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1	ZINC000000001228	567816483	/nfs/dbraw/zinc/81/64/83/567816483.db2.gz	HZNVLDCWAVIXRK-UHFFFAOYSA-N	1	0	298.817	4.263	40	0	in-man	CIABRO
CCC[C@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000001195041	567836530	/nfs/dbraw/zinc/83/65/30/567836530.db2.gz	YVHNHXUETQZHOA-ZGXWSNOMSA-N	1	0	295.426	4.240	40	0		CIABRO
C[NH+](C)CCCN1c2ccccc2[C@H]2C[C@@H]2c2ccccc21	ZINC000001566282	567838166	/nfs/dbraw/zinc/83/81/66/567838166.db2.gz	VAYOMQGDMZZCNU-QZTJIDSGSA-N	1	0	292.426	4.361	40	0		CIABRO
CC(=O)C[C@H](c1ccccc1)c1ccccc1[C@H](C)[NH+](C)C	ZINC000001607475	567839377	/nfs/dbraw/zinc/83/93/77/567839377.db2.gz	OJRSDRGLDWIRSG-OXJNMPFZSA-N	1	0	295.426	4.420	40	0		CIABRO
c1sc2sc3ccccc3[n+]2c1-c1ccccc1	ZINC000001648655	567840114	/nfs/dbraw/zinc/84/01/14/567840114.db2.gz	GWVPYHSGLCNRFW-UHFFFAOYSA-N	1	0	268.386	4.369	40	0		CIABRO
C[NH+](C)[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2N	ZINC000001662430	567840375	/nfs/dbraw/zinc/84/03/75/567840375.db2.gz	GYVXPIQTGVJMHH-OAHLLOKOSA-N	1	0	293.197	4.207	40	0		CIABRO
c1ccc(C[C@H]([C@@H]2CC=CCC2)[NH+]2CCCCC2)cc1	ZINC000001665308	567840605	/nfs/dbraw/zinc/84/06/05/567840605.db2.gz	JEKBYDQYZBCRGR-RTBURBONSA-N	1	0	269.432	4.440	40	0		CIABRO
CC[NH+](CC)C(C)(C)COC(=O)Nc1ccccc1Cl	ZINC000001671772	567841123	/nfs/dbraw/zinc/84/11/23/567841123.db2.gz	ZDQSHJNSVPSVPC-UHFFFAOYSA-N	1	0	298.814	4.009	40	0		CIABRO
CCC(CC)C1(C(=O)OCC[NH+](CC)CC)CCCCC1	ZINC000001719280	567842423	/nfs/dbraw/zinc/84/24/23/567842423.db2.gz	CDVKQUHUKXGHCX-UHFFFAOYSA-N	1	0	297.483	4.258	40	0		CIABRO
CC[C@@H](C)c1cc(C[NH+](C)C)cc([C@H](C)CC)c1O	ZINC000001737450	567842722	/nfs/dbraw/zinc/84/27/22/567842722.db2.gz	ABNHYWYMPDTOFQ-CHWSQXEVSA-N	1	0	263.425	4.481	40	0		CIABRO
CC[C@@H](C)c1cc(C[NH+](C)C)cc([C@@H](C)CC)c1O	ZINC000001737448	567842735	/nfs/dbraw/zinc/84/27/35/567842735.db2.gz	ABNHYWYMPDTOFQ-BETUJISGSA-N	1	0	263.425	4.481	40	0		CIABRO
Cc1ccccc1[C@@H](c1ccccc1Cl)[NH+](C)C	ZINC000002048476	567844581	/nfs/dbraw/zinc/84/45/81/567844581.db2.gz	JTLHNSDTEDZNRQ-INIZCTEOSA-N	1	0	259.780	4.299	40	0		CIABRO
C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000004119597	567855516	/nfs/dbraw/zinc/85/55/16/567855516.db2.gz	TUHNPNHADQMPAJ-OPMWNPIGSA-N	1	0	295.426	4.048	40	0		CIABRO
Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236385	567862600	/nfs/dbraw/zinc/86/26/00/567862600.db2.gz	KJJWCNXTZJHTRO-SFHVURJKSA-N	1	0	291.398	4.208	40	0		CIABRO
C[C@H](c1ccccc1)N1CC[NH+]([C@H](C)c2ccccc2)CC1	ZINC000019366648	567877611	/nfs/dbraw/zinc/87/76/11/567877611.db2.gz	FQNIOAVLCZLWON-QZTJIDSGSA-N	1	0	294.442	4.126	40	0	biogenic,in-vitro	CIABRO
c1ccc([C@H]2C[N@@H+](C[C@@H]3CCOC3)CC23CCCCC3)cc1	ZINC000019370011	567878134	/nfs/dbraw/zinc/87/81/34/567878134.db2.gz	ZGWSSYPZWUXYCD-PKOBYXMFSA-N	1	0	299.458	4.073	40	0		CIABRO
[NH3+][C@@H](c1cccs1)c1ccc(Cl)cc1Cl	ZINC000019842072	567879222	/nfs/dbraw/zinc/87/92/22/567879222.db2.gz	XYZWYYKCNFRYHD-LLVKDONJSA-N	1	0	258.173	4.103	40	0		CIABRO
CC(C)Oc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211888	567917585	/nfs/dbraw/zinc/91/75/85/567917585.db2.gz	JYULHSDHESFLOM-SFHVURJKSA-N	1	0	296.414	4.206	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1Br	ZINC000072211631	567917631	/nfs/dbraw/zinc/91/76/31/567917631.db2.gz	SAUOWQWPYCXVOA-CYBMUJFWSA-N	1	0	297.240	4.027	40	0		CIABRO
Cc1ccnc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c1	ZINC000072211212	567917883	/nfs/dbraw/zinc/91/78/83/567917883.db2.gz	WXJYBHIVMVBIPS-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1	ZINC000072211578	567917903	/nfs/dbraw/zinc/91/79/03/567917903.db2.gz	HCXUKIAPNVOTKR-ZDUSSCGKSA-N	1	0	297.240	4.171	40	0		CIABRO
CCN(CC)c1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072212858	567918029	/nfs/dbraw/zinc/91/80/29/567918029.db2.gz	UGIUAAGXTIZSCS-KRWDZBQOSA-N	1	0	289.467	4.111	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212131	567918155	/nfs/dbraw/zinc/91/81/55/567918155.db2.gz	BGIYLXANXIZRRZ-INIZCTEOSA-N	1	0	268.360	4.031	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1	ZINC000072212078	567918217	/nfs/dbraw/zinc/91/82/17/567918217.db2.gz	IZEBXRYBBDDRNI-GOSISDBHSA-N	1	0	296.414	4.206	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1	ZINC000072212199	567918450	/nfs/dbraw/zinc/91/84/50/567918450.db2.gz	PNSOVFKYNCGISX-KRWDZBQOSA-N	1	0	282.387	4.419	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(CC)CC)nc1	ZINC000072212861	567918475	/nfs/dbraw/zinc/91/84/75/567918475.db2.gz	QNCPJMUCFVCIJB-KRWDZBQOSA-N	1	0	289.467	4.255	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cccnc1N[C@@H](C)CC	ZINC000072213426	567918733	/nfs/dbraw/zinc/91/87/33/567918733.db2.gz	RFGGRYKJUZNIIN-HOCLYGCPSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000072213618	567918739	/nfs/dbraw/zinc/91/87/39/567918739.db2.gz	AJXMFGKOLOCKJV-INIZCTEOSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213620	567918773	/nfs/dbraw/zinc/91/87/73/567918773.db2.gz	GESOFUSYRGWWGH-KRWDZBQOSA-N	1	0	289.467	4.477	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213542	567918942	/nfs/dbraw/zinc/91/89/42/567918942.db2.gz	VYSSJYMMUBITHO-GOEBONIOSA-N	1	0	275.440	4.227	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213978	567919103	/nfs/dbraw/zinc/91/91/03/567919103.db2.gz	VNAUPMAXMLUDKY-QGZVFWFLSA-N	1	0	287.451	4.372	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214190	567919564	/nfs/dbraw/zinc/91/95/64/567919564.db2.gz	YIRPIVPBPRSSLB-KRWDZBQOSA-N	1	0	281.403	4.006	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214197	567919704	/nfs/dbraw/zinc/91/97/04/567919704.db2.gz	BIXTWOLLPWDXTR-GOSISDBHSA-N	1	0	295.430	4.395	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214215	567919807	/nfs/dbraw/zinc/91/98/07/567919807.db2.gz	PHJZIAMBCPVQSW-SFHVURJKSA-N	1	0	295.430	4.396	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1	ZINC000072214140	567919862	/nfs/dbraw/zinc/91/98/62/567919862.db2.gz	WGUVCXBIEFZINQ-KRWDZBQOSA-N	1	0	281.403	4.372	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214077	567919925	/nfs/dbraw/zinc/91/99/25/567919925.db2.gz	JWBCRZVEIUTDIM-QGZVFWFLSA-N	1	0	281.403	4.371	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)C	ZINC000072217544	567920144	/nfs/dbraw/zinc/92/01/44/567920144.db2.gz	FWNRCZVRIMEGJX-OAHLLOKOSA-N	1	0	278.465	4.375	40	0		CIABRO
Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl	ZINC000072217769	567920241	/nfs/dbraw/zinc/92/02/41/567920241.db2.gz	ZRBIABILMSOCCP-INIZCTEOSA-N	1	0	286.806	4.381	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCC1	ZINC000072216108	567920275	/nfs/dbraw/zinc/92/02/75/567920275.db2.gz	KJZBDSAABOERGZ-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)C)nc1	ZINC000072217497	567920558	/nfs/dbraw/zinc/92/05/58/567920558.db2.gz	VDPRKYXRFNEVSJ-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)C	ZINC000072217557	567920740	/nfs/dbraw/zinc/92/07/40/567920740.db2.gz	OMXVTBRCUXTEDR-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
S=c1[nH]cccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072217087	567921036	/nfs/dbraw/zinc/92/10/36/567921036.db2.gz	TUYGFYUSNIYPBS-MRXNPFEDSA-N	1	0	284.428	4.098	40	0		CIABRO
Cc1cc(=S)[nH]cc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072218346	567921073	/nfs/dbraw/zinc/92/10/73/567921073.db2.gz	OAMTTXGCYQVMJY-KRWDZBQOSA-N	1	0	298.455	4.406	40	0		CIABRO
S=c1[nH]cccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072217088	567921104	/nfs/dbraw/zinc/92/11/04/567921104.db2.gz	TUYGFYUSNIYPBS-INIZCTEOSA-N	1	0	284.428	4.098	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1SCC	ZINC000072217186	567921285	/nfs/dbraw/zinc/92/12/85/567921285.db2.gz	NJZXMVRRLXXSBY-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1	ZINC000072219586	567921851	/nfs/dbraw/zinc/92/18/51/567921851.db2.gz	LVKCVAIJSUIBGH-KRWDZBQOSA-N	1	0	254.377	4.170	40	0		CIABRO
c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cs1	ZINC000072221701	567922155	/nfs/dbraw/zinc/92/21/55/567922155.db2.gz	CYOUWRXQLIHQAZ-INIZCTEOSA-N	1	0	257.402	4.475	40	0		CIABRO
CC[C@@H]([NH3+])c1cnc(SC2CCCCC2)c(C)c1	ZINC000072222801	567922210	/nfs/dbraw/zinc/92/22/10/567922210.db2.gz	FPUZSJYOTVPIRV-CQSZACIVSA-N	1	0	264.438	4.225	40	0		CIABRO
Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1SC(C)(C)C	ZINC000072222829	567922383	/nfs/dbraw/zinc/92/23/83/567922383.db2.gz	JPGAZOLPMGWKOC-HNNXBMFYSA-N	1	0	286.444	4.329	40	0		CIABRO
CC[NH2+]CCC[C@H](C)Nc1ccnc2cc(Cl)ccc21	ZINC000001873617	567929193	/nfs/dbraw/zinc/92/91/93/567929193.db2.gz	MCYUUUTUAAGOOT-LBPRGKRZSA-N	1	0	291.826	4.078	40	0	world	CIABRO
CCC[n+]1cccc(-c2nc3cc(C(C)C)ccc3o2)c1	ZINC000226774589	567929202	/nfs/dbraw/zinc/92/92/02/567929202.db2.gz	ORDNSYHNLKMYQX-UHFFFAOYSA-N	1	0	281.379	4.316	40	0		CIABRO
CC[NH+](CC)CCSc1nc2ccc(C)cc2cc1C	ZINC000004929946	567932659	/nfs/dbraw/zinc/93/26/59/567932659.db2.gz	LRHHZYLODDGCRG-UHFFFAOYSA-N	1	0	288.460	4.286	40	0		CIABRO
CC1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1	ZINC000409386508	567935479	/nfs/dbraw/zinc/93/54/79/567935479.db2.gz	UXAALLFMSGYZEB-UHFFFAOYSA-N	1	0	258.192	4.225	40	0		CIABRO
C[C@H]1[NH2+][C@H]2CC(C)(C)CC[C@H]2c2c3ccccc3[nH]c21	ZINC000000274106	567935956	/nfs/dbraw/zinc/93/59/56/567935956.db2.gz	GAYOPOORDLRTFT-KYOSRNDESA-N	1	0	268.404	4.494	40	0		CIABRO
C[N@H+](CCC(=O)c1ccc(Cl)cc1)Cc1ccccc1	ZINC000001706290	567937345	/nfs/dbraw/zinc/93/73/45/567937345.db2.gz	BMDXERCMKPFTNF-UHFFFAOYSA-N	1	0	287.790	4.045	40	0		CIABRO
C[C@@H]1[NH2+][C@H]2CC(C)(C)CC[C@H]2c2c3ccccc3[nH]c21	ZINC000004023359	567938185	/nfs/dbraw/zinc/93/81/85/567938185.db2.gz	GAYOPOORDLRTFT-LNSITVRQSA-N	1	0	268.404	4.494	40	0		CIABRO
CC[C@H](C)[NH2+]Cc1ccc(OCc2cccs2)cc1	ZINC000005907930	567938536	/nfs/dbraw/zinc/93/85/36/567938536.db2.gz	JFSWELMGLRGKCK-ZDUSSCGKSA-N	1	0	275.417	4.215	40	0		CIABRO
C1=C2[C@H]3CCCC[C@H]3O[C@H](C[NH+]3CCCCC3)[C@@H]2CCC1	ZINC000012658114	567940553	/nfs/dbraw/zinc/94/05/53/567940553.db2.gz	ZLGSKKXUVINAIN-NCXUSEDFSA-N	1	0	289.463	4.156	40	0		CIABRO
Clc1ccccc1C[NH2+]Cc1cccc2[nH]ccc21	ZINC000015423504	567944055	/nfs/dbraw/zinc/94/40/55/567944055.db2.gz	BJQMEALTUGEEJC-UHFFFAOYSA-N	1	0	270.763	4.111	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1C1CCCCC1	ZINC000223676936	567950261	/nfs/dbraw/zinc/95/02/61/567950261.db2.gz	IGHQNQWPTBWFHP-UHFFFAOYSA-N	1	0	262.441	4.356	40	0		CIABRO
C[NH2+]Cc1c2cc(OC(C)C)ccc2n(CC(C)C)c1C	ZINC000223759537	567950657	/nfs/dbraw/zinc/95/06/57/567950657.db2.gz	WHYVHFPPVRAGOQ-UHFFFAOYSA-N	1	0	288.435	4.112	40	0		CIABRO
C[NH2+]Cc1c2cc(OC(C)C)ccc2n(C(C)C)c1C	ZINC000223759381	567950790	/nfs/dbraw/zinc/95/07/90/567950790.db2.gz	PCHHSQYVMVRMAU-UHFFFAOYSA-N	1	0	274.408	4.037	40	0		CIABRO
CCC[NH2+]Cc1c(C)[nH]c2ccc(O[C@@H](C)CC)cc21	ZINC000223767348	567950806	/nfs/dbraw/zinc/95/08/06/567950806.db2.gz	GHKSWRKICMAUKT-LBPRGKRZSA-N	1	0	274.408	4.153	40	0		CIABRO
c1csc(C[N@H+](Cc2cccnc2)CC2CCCC2)c1	ZINC000013569685	570284717	/nfs/dbraw/zinc/28/47/17/570284717.db2.gz	PDZUCRQWZFBRLZ-UHFFFAOYSA-N	1	0	286.444	4.336	40	0		CIABRO
CCCC[NH2+]Cc1ccc(O[C@@H](C)CC)c(OCC)c1	ZINC000225157206	189744725	/nfs/dbraw/zinc/74/47/25/189744725.db2.gz	PTZCKKRCOLEDNQ-AWEZNQCLSA-N	1	0	279.424	4.152	40	0		CIABRO
CC(C)n1nccc1-c1cc([C@H]2CCC[N@@H+]2C(C)C)ccn1	ZINC000257315266	190033090	/nfs/dbraw/zinc/03/30/90/190033090.db2.gz	VAOQBLLZMLIJIP-QGZVFWFLSA-N	1	0	298.434	4.071	40	0		CIABRO
Cc1cc([C@H]([NH3+])c2ccccc2)cnc1Oc1ccccc1	ZINC000072222128	256706577	/nfs/dbraw/zinc/70/65/77/256706577.db2.gz	NJSMBGIDNHHXQG-GOSISDBHSA-N	1	0	290.366	4.230	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1	ZINC000072217676	256708985	/nfs/dbraw/zinc/70/89/85/256708985.db2.gz	WKWDICJWXLHALK-INIZCTEOSA-N	1	0	284.428	4.390	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216048	256711324	/nfs/dbraw/zinc/71/13/24/256711324.db2.gz	IHFADALXACMOCC-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214079	256711677	/nfs/dbraw/zinc/71/16/77/256711677.db2.gz	WLWHLWXLHRVQCM-QGZVFWFLSA-N	1	0	281.403	4.372	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213977	256712886	/nfs/dbraw/zinc/71/28/86/256712886.db2.gz	ILINSSSWJKBTEJ-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CC(C)[C@H]([NH3+])CC(c1ccccc1)c1ccccc1	ZINC000001848489	169759394	/nfs/dbraw/zinc/75/93/94/169759394.db2.gz	CUSQLKIZSSMRDM-GOSISDBHSA-N	1	0	253.389	4.192	40	0		CIABRO
[NH3+][C@@H]1CC[C@@](c2ccccc2)(c2ccc(Cl)cc2)C1	ZINC000003601875	169900464	/nfs/dbraw/zinc/90/04/64/169900464.db2.gz	PBXXNPPLSKOFEY-IAGOWNOFSA-N	1	0	271.791	4.137	40	0		CIABRO
Cc1cc(C)c(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)c(C)c1	ZINC000004934790	170042392	/nfs/dbraw/zinc/04/23/92/170042392.db2.gz	KANHRZRLUMHDTL-ROUUACIJSA-N	1	0	299.458	4.307	40	0		CIABRO
CC(=O)[N+]1=C(c2ccccc2)C[C@@H](C=Cc2ccccc2)N1	ZINC000005003157	170053777	/nfs/dbraw/zinc/05/37/77/170053777.db2.gz	BOEVEZBGYSNUNV-WTWCKAPFSA-N	1	0	291.374	4.225	40	0		CIABRO
CC(C)C[C@H]([NH3+])C1(c2ccc(Cl)cc2)CCC1	ZINC000005759773	170137904	/nfs/dbraw/zinc/13/79/04/170137904.db2.gz	WQSACWZKKZPCHN-AWEZNQCLSA-N	1	0	251.801	4.135	40	0	in-vitro	CIABRO
CC[C@]12C=CC[N@@H+](C1)CCc1c3ccccc3[nH]c1/C=C\2	ZINC000005824101	170143888	/nfs/dbraw/zinc/14/38/88/170143888.db2.gz	MSGYVJRBNLKUPF-SCEWNMGZSA-N	1	0	278.399	4.005	40	0		CIABRO
CC[NH+](CC)C[C@@H](O)c1cc2c(c3ccccc31)CCCC2	ZINC000006382471	170196732	/nfs/dbraw/zinc/19/67/32/170196732.db2.gz	SXDWPFDXGXVGEQ-HXUWFJFHSA-N	1	0	297.442	4.094	40	0		CIABRO
COc1ccccc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000008534888	170339218	/nfs/dbraw/zinc/33/92/18/170339218.db2.gz	BGEOQQNPTOHLRK-ZIUDEIKKSA-N	1	0	299.458	4.390	40	0		CIABRO
Cc1ccc(SCC[NH2+]Cc2cccc3[nH]ccc32)cc1	ZINC000015423511	170665772	/nfs/dbraw/zinc/66/57/72/170665772.db2.gz	UFTKEKLLYGIMSK-UHFFFAOYSA-N	1	0	296.439	4.358	40	0		CIABRO
COc1ccc([C@@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000044138548	175146298	/nfs/dbraw/zinc/14/62/98/175146298.db2.gz	KOFZKAWFEDMFTD-LJQANCHMSA-N	1	0	281.399	4.271	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1	ZINC000072352989	176374511	/nfs/dbraw/zinc/37/45/11/176374511.db2.gz	GFWZUZYYIBOLBL-KRWDZBQOSA-N	1	0	296.418	4.013	40	0		CIABRO
C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C	ZINC000249691160	334338998	/nfs/dbraw/zinc/33/89/98/334338998.db2.gz	LFSRKKRTSWCPDC-LKZKFWHWSA-N	1	0	299.458	4.212	40	0		CIABRO
C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]12C	ZINC000249691161	334339010	/nfs/dbraw/zinc/33/90/10/334339010.db2.gz	LFSRKKRTSWCPDC-RKMHRGGXSA-N	1	0	299.458	4.212	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1	ZINC000072211467	567917870	/nfs/dbraw/zinc/91/78/70/567917870.db2.gz	NQMBOVPFONOINH-CYBMUJFWSA-N	1	0	252.789	4.062	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)C	ZINC000072217542	567920176	/nfs/dbraw/zinc/92/01/76/567920176.db2.gz	NLSHNIWLKQEJFO-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
CCCCC1CC(C[NH3+])(c2ccc(Br)cc2)C1	ZINC000685937292	570389077	/nfs/dbraw/zinc/38/90/77/570389077.db2.gz	GICUBRFIWBSLDE-UHFFFAOYSA-N	1	0	296.252	4.246	40	0		CIABRO
Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3ccccc3o2)C1	ZINC000049168892	560084829	/nfs/dbraw/zinc/08/48/29/560084829.db2.gz	CXSZOSMROJOTLX-INIZCTEOSA-N	1	0	292.382	4.126	40	0	biogenic,in-vitro	CIABRO
CCCC[NH2+][C@@H](C)Cc1cccc(C(F)(F)F)c1	ZINC000033756046	567083563	/nfs/dbraw/zinc/08/35/63/567083563.db2.gz	VCYPVYLZISLFHR-NSHDSACASA-N	1	0	259.315	4.026	40	0		CIABRO
CCCCC[C@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1	ZINC000096032878	567139467	/nfs/dbraw/zinc/13/94/67/567139467.db2.gz	YAFFHHPPOAYLLA-MRXNPFEDSA-N	1	0	277.383	4.053	40	0	in-vitro	CIABRO
Brc1ccc([C@H]2C[C@H]2C[NH+]2CCCCC2)cc1	ZINC000217799741	567176702	/nfs/dbraw/zinc/17/67/02/567176702.db2.gz	YOAAWXGZILTNEY-DZGCQCFKSA-N	1	0	294.236	4.039	40	0		CIABRO
CC(C)[NH2+]Cc1ccccc1Sc1ccccc1	ZINC000001559288	567837863	/nfs/dbraw/zinc/83/78/63/567837863.db2.gz	GUAKCGHORPAWJL-UHFFFAOYSA-N	1	0	257.402	4.336	40	0		CIABRO
C[NH+](C)Cc1[nH]c2ccccc2c1Sc1ccccc1	ZINC000001591087	567839111	/nfs/dbraw/zinc/83/91/11/567839111.db2.gz	CXKHELWZLQKMJT-UHFFFAOYSA-N	1	0	282.412	4.381	40	0		CIABRO
O=C1CCCCCCCCCC[C@H]1C[NH+]1CCCC1	ZINC000001640639	567839950	/nfs/dbraw/zinc/83/99/50/567839950.db2.gz	RNGQBZYBBHZFLZ-INIZCTEOSA-N	1	0	265.441	4.182	40	0		CIABRO
CCCC[NH2+][C@@H](C(=O)c1ccccc1)c1ccccc1	ZINC000001669462	567840700	/nfs/dbraw/zinc/84/07/00/567840700.db2.gz	ZJVGIBQMAOGFQJ-QGZVFWFLSA-N	1	0	267.372	4.000	40	0		CIABRO
CC1CC[NH+]([C@H](c2ccccc2)[C@H](O)c2ccccc2)CC1	ZINC000001666023	567840798	/nfs/dbraw/zinc/84/07/98/567840798.db2.gz	CKMLQILTWMWZQS-WOJBJXKFSA-N	1	0	295.426	4.193	40	0		CIABRO
CCCC[NH+](CCCC)C[C@H](O)CCCC(C)C	ZINC000001684140	567841362	/nfs/dbraw/zinc/84/13/62/567841362.db2.gz	KJGZSLGIMYUOJC-MRXNPFEDSA-N	1	0	257.462	4.076	40	0		CIABRO
C[C@H](COc1ccc(/C=C/c2ccccc2)cc1)C[NH+](C)C	ZINC000001682235	567841516	/nfs/dbraw/zinc/84/15/16/567841516.db2.gz	FUIKNPYIDOJTAD-FVNWOWOISA-N	1	0	295.426	4.434	40	0		CIABRO
CCC[NH+](CCC)[C@@H](C)[C@H](O)c1cccc2ccccc21	ZINC000001706358	567842094	/nfs/dbraw/zinc/84/20/94/567842094.db2.gz	CXMTVNQGSKMABJ-KXBFYZLASA-N	1	0	285.431	4.384	40	0		CIABRO
CCCC[C@](O)(c1ccccc1)c1ccccc1C[NH+](C)C	ZINC000002036536	567844217	/nfs/dbraw/zinc/84/42/17/567844217.db2.gz	SORQFNAWXRCGCG-FQEVSTJZSA-N	1	0	297.442	4.174	40	0		CIABRO
C[NH+](C)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000002044781	567844539	/nfs/dbraw/zinc/84/45/39/567844539.db2.gz	ORQXIMINPQJJBX-INIZCTEOSA-N	1	0	259.780	4.185	40	0		CIABRO
C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[NH+](C)[C@@H]1c1ccccc1	ZINC000004119599	567855427	/nfs/dbraw/zinc/85/54/27/567855427.db2.gz	TUHNPNHADQMPAJ-LNMJFAINSA-N	1	0	295.426	4.048	40	0		CIABRO
c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1	ZINC000012088978	567862271	/nfs/dbraw/zinc/86/22/71/567862271.db2.gz	HLYAFYPWIRHLMP-YRPNKDGESA-N	1	0	292.426	4.144	40	0		CIABRO
CC[N@H+](Cc1ccc(OC)cc1)C1C2CC3CC(C2)CC1C3	ZINC000016778755	567873814	/nfs/dbraw/zinc/87/38/14/567873814.db2.gz	BLAIMPYNLACHMP-UHFFFAOYSA-N	1	0	299.458	4.342	40	0		CIABRO
CC(C)CCN1CC[N@H+](CCC(C)C)[C@H]2CCCC[C@@H]21	ZINC000019365567	567877436	/nfs/dbraw/zinc/87/74/36/567877436.db2.gz	OYSVALUQVIHYRR-ROUUACIJSA-N	1	0	280.500	4.007	40	0		CIABRO
c1csc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1	ZINC000019346921	567877585	/nfs/dbraw/zinc/87/75/85/567877585.db2.gz	WADJAZXPXOXIES-AWEZNQCLSA-N	1	0	297.427	4.004	40	0		CIABRO
CCCc1cc([C@@H]2CCCCCN2Cc2cccnc2)no1	ZINC000019525411	567878247	/nfs/dbraw/zinc/87/82/47/567878247.db2.gz	ULCKZDHUHFAMDS-SFHVURJKSA-N	1	0	299.418	4.139	40	0		CIABRO
C[NH+](C)CCOc1ccccc1Oc1cccc(Cl)c1	ZINC000585265077	567910110	/nfs/dbraw/zinc/91/01/10/567910110.db2.gz	FKDISMAJGQQESQ-UHFFFAOYSA-N	1	0	291.778	4.073	40	0		CIABRO
CCOc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211865	567917579	/nfs/dbraw/zinc/91/75/79/567917579.db2.gz	DNCKZGUFTCNAAA-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211263	567917589	/nfs/dbraw/zinc/91/75/89/567917589.db2.gz	VHLUWTBKMZIZCC-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1	ZINC000072211922	567917677	/nfs/dbraw/zinc/91/76/77/567917677.db2.gz	GPXRREBGIKYADD-INIZCTEOSA-N	1	0	276.424	4.052	40	0		CIABRO
Cc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211314	567917827	/nfs/dbraw/zinc/91/78/27/567917827.db2.gz	LXCCIPDKAWASAR-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
Cc1cccnc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211158	567917890	/nfs/dbraw/zinc/91/78/90/567917890.db2.gz	UFBXYVJMTVIDNN-QGZVFWFLSA-N	1	0	266.388	4.117	40	0		CIABRO
CCOc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211866	567917915	/nfs/dbraw/zinc/91/79/15/567917915.db2.gz	DNCKZGUFTCNAAA-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCNc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213157	567918240	/nfs/dbraw/zinc/91/82/40/567918240.db2.gz	FTMWAILMGPXYPS-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1	ZINC000072212216	567918268	/nfs/dbraw/zinc/91/82/68/567918268.db2.gz	KSPHDUOUEMVINH-KRWDZBQOSA-N	1	0	282.387	4.421	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213512	567919028	/nfs/dbraw/zinc/91/90/28/567919028.db2.gz	YMXKXDZFMYZWNM-GOEBONIOSA-N	1	0	275.440	4.085	40	0		CIABRO
CCCCNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213678	567919089	/nfs/dbraw/zinc/91/90/89/567919089.db2.gz	WWWOZXIEBMBIRP-INIZCTEOSA-N	1	0	275.440	4.229	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C	ZINC000072213397	567919196	/nfs/dbraw/zinc/91/91/96/567919196.db2.gz	ACSATDVVRYUGTA-ZBFHGGJFSA-N	1	0	275.440	4.085	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1	ZINC000072213860	567919299	/nfs/dbraw/zinc/91/92/99/567919299.db2.gz	SMHOCCIDDJVLMV-QGZVFWFLSA-N	1	0	287.451	4.229	40	0		CIABRO
CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213621	567919316	/nfs/dbraw/zinc/91/93/16/567919316.db2.gz	GESOFUSYRGWWGH-QGZVFWFLSA-N	1	0	289.467	4.477	40	0		CIABRO
CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C	ZINC000072213619	567919375	/nfs/dbraw/zinc/91/93/75/567919375.db2.gz	AJXMFGKOLOCKJV-MRXNPFEDSA-N	1	0	275.440	4.229	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214250	567919510	/nfs/dbraw/zinc/91/95/10/567919510.db2.gz	OMHYRQDHBZYPQT-KRWDZBQOSA-N	1	0	281.403	4.006	40	0		CIABRO
CC(C)Sc1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1	ZINC000072217480	567919636	/nfs/dbraw/zinc/91/96/36/567919636.db2.gz	ZGLUMENKHRFVLP-CQSZACIVSA-N	1	0	264.438	4.127	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)(C)C)nc1	ZINC000072217352	567919678	/nfs/dbraw/zinc/91/96/78/567919678.db2.gz	BDCHRZCUVIALPN-CYBMUJFWSA-N	1	0	264.438	4.129	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1Nc1ccccc1	ZINC000072214138	567919949	/nfs/dbraw/zinc/91/99/49/567919949.db2.gz	CTGZDFQCYWPVAY-KRWDZBQOSA-N	1	0	281.403	4.371	40	0		CIABRO
COc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1	ZINC000072218103	567920257	/nfs/dbraw/zinc/92/02/57/567920257.db2.gz	OKEGRWDTXQTUIQ-GOSISDBHSA-N	1	0	296.414	4.126	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1	ZINC000072216121	567920298	/nfs/dbraw/zinc/92/02/98/567920298.db2.gz	VLNKZLLKXMAPFM-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
Cc1nc(Cl)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072217890	567920737	/nfs/dbraw/zinc/92/07/37/567920737.db2.gz	OESPCCGEVKNVNS-MRXNPFEDSA-N	1	0	286.806	4.381	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1	ZINC000072216702	567920758	/nfs/dbraw/zinc/92/07/58/567920758.db2.gz	FSLPYNUPTDYUGR-KRWDZBQOSA-N	1	0	287.451	4.007	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)C	ZINC000072217558	567920768	/nfs/dbraw/zinc/92/07/68/567920768.db2.gz	OMXVTBRCUXTEDR-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)c(C)c1	ZINC000072218284	567920895	/nfs/dbraw/zinc/92/08/95/567920895.db2.gz	DHTOVTUIBJMWLV-CQSZACIVSA-N	1	0	264.438	4.006	40	0		CIABRO
CNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1	ZINC000072219126	567921490	/nfs/dbraw/zinc/92/14/90/567921490.db2.gz	LNSSZIAWWXKORR-SFHVURJKSA-N	1	0	295.430	4.159	40	0		CIABRO
CNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1	ZINC000072219127	567921626	/nfs/dbraw/zinc/92/16/26/567921626.db2.gz	LNSSZIAWWXKORR-GOSISDBHSA-N	1	0	295.430	4.159	40	0		CIABRO
Cc1cnccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072219540	567921832	/nfs/dbraw/zinc/92/18/32/567921832.db2.gz	WRUUONKMGNALDL-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1	ZINC000072221792	567922376	/nfs/dbraw/zinc/92/23/76/567922376.db2.gz	ODIGOGDKNFPEMU-QGZVFWFLSA-N	1	0	254.377	4.172	40	0		CIABRO
c1ccc2c(c1)cccc2C[N@@H+]1CCc2ccccc2C1	ZINC000001487910	567937183	/nfs/dbraw/zinc/93/71/83/567937183.db2.gz	SLSCJMMNGDKTLE-UHFFFAOYSA-N	1	0	273.379	4.398	40	0		CIABRO
CCOP(=O)(OCC)[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1	ZINC000031938882	567944077	/nfs/dbraw/zinc/94/40/77/567944077.db2.gz	QDXIXULSRHVBCZ-CQSZACIVSA-N	1	0	299.351	4.208	40	0		CIABRO
CCCC[NH2+]Cc1cc(C)n(C2CCCCC2)c1C	ZINC000223676850	567950297	/nfs/dbraw/zinc/95/02/97/567950297.db2.gz	VLCATPGCKJFIIV-UHFFFAOYSA-N	1	0	262.441	4.500	40	0		CIABRO
CCCC[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C	ZINC000223662866	567950388	/nfs/dbraw/zinc/95/03/88/567950388.db2.gz	OXDHIGJRZABORC-UHFFFAOYSA-N	1	0	284.447	4.351	40	0		CIABRO
CCC[NH2+]Cc1c2cc(OC)ccc2n(CC(C)C)c1C	ZINC000223765961	567950530	/nfs/dbraw/zinc/95/05/30/567950530.db2.gz	UBPLUFQNUCOLTC-UHFFFAOYSA-N	1	0	288.435	4.114	40	0		CIABRO
CCCCn1c(C)c(C[NH3+])c2cc(O[C@@H](C)CC)ccc21	ZINC000223757744	567950666	/nfs/dbraw/zinc/95/06/66/567950666.db2.gz	BAJUIJRGIMTHFK-ZDUSSCGKSA-N	1	0	288.435	4.386	40	0		CIABRO
CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C	ZINC000223770624	567950667	/nfs/dbraw/zinc/95/06/67/567950667.db2.gz	HYUDCWAKIQCXTM-CYBMUJFWSA-N	1	0	288.435	4.162	40	0		CIABRO
CCCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC	ZINC000223770130	567950739	/nfs/dbraw/zinc/95/07/39/567950739.db2.gz	NXYINWXCSZSXIC-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CC[C@@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2CC(C)C	ZINC000223757871	567950799	/nfs/dbraw/zinc/95/07/99/567950799.db2.gz	DWQAAFYVKULGJS-CYBMUJFWSA-N	1	0	288.435	4.242	40	0		CIABRO
CC[NH2+]Cc1c2cc(OCC)ccc2n(CC(C)C)c1C	ZINC000223762685	567950808	/nfs/dbraw/zinc/95/08/08/567950808.db2.gz	KWMFLBXGQZRQHK-UHFFFAOYSA-N	1	0	288.435	4.114	40	0		CIABRO
CC(C)(O)CCC[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000096024856	570334991	/nfs/dbraw/zinc/33/49/91/570334991.db2.gz	SSYZDSBPTNIOLY-UHFFFAOYSA-N	1	0	297.442	4.240	40	0		CIABRO
C[C@H]([NH3+])[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	ZINC000005275252	230369402	/nfs/dbraw/zinc/36/94/02/230369402.db2.gz	LFSRKKRTSWCPDC-YQRXSXSWSA-N	1	0	299.458	4.212	40	0		CIABRO
Cc1[nH+]c2ccc(C(F)(F)F)cc2c(N)c1C(C)C	ZINC000095534968	185008099	/nfs/dbraw/zinc/00/80/99/185008099.db2.gz	ALUWYDLKSFPIJZ-UHFFFAOYSA-N	1	0	268.282	4.268	40	0		CIABRO
Clc1ccc(SC[C@H]2CCC[NH2+]C2)c(Cl)c1	ZINC000083297999	178380080	/nfs/dbraw/zinc/38/00/80/178380080.db2.gz	QOBQWJVMBRWZEA-VIFPVBQESA-N	1	0	276.232	4.085	40	0		CIABRO
CC[C@@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225169219	189744927	/nfs/dbraw/zinc/74/49/27/189744927.db2.gz	LHVCZHALPPOMRE-ZIAGYGMSSA-N	1	0	261.409	4.457	40	0		CIABRO
c1c2ccccc2sc1C[N@@H+]1CCC[C@@H]1c1ccncn1	ZINC000257223990	190014777	/nfs/dbraw/zinc/01/47/77/190014777.db2.gz	DZVKRRSBDWMKOX-MRXNPFEDSA-N	1	0	295.411	4.028	40	0		CIABRO
c1c2ccccc2sc1C[N@@H+]1CCC[C@H]1c1cnccn1	ZINC000257236352	190017911	/nfs/dbraw/zinc/01/79/11/190017911.db2.gz	HBTLBMQFKGGZLL-INIZCTEOSA-N	1	0	295.411	4.028	40	0		CIABRO
C[C@@H]([NH3+])[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	ZINC000005276122	533003201	/nfs/dbraw/zinc/00/32/01/533003201.db2.gz	LFSRKKRTSWCPDC-ROEDYFHJSA-N	1	0	299.458	4.212	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213509	256712925	/nfs/dbraw/zinc/71/29/25/256712925.db2.gz	YMXKXDZFMYZWNM-ZBFHGGJFSA-N	1	0	275.440	4.085	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C	ZINC000072213398	256714099	/nfs/dbraw/zinc/71/40/99/256714099.db2.gz	ACSATDVVRYUGTA-HOCLYGCPSA-N	1	0	275.440	4.085	40	0		CIABRO
C[C@H]1CC(c2ccccc2)(c2ccccc2)C[C@H](C)[NH+]1C	ZINC000001682379	169741189	/nfs/dbraw/zinc/74/11/89/169741189.db2.gz	BDJNJLJMYWGCJK-IRXDYDNUSA-N	1	0	279.427	4.475	40	0		CIABRO
C[C@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000001748038	169754374	/nfs/dbraw/zinc/75/43/74/169754374.db2.gz	YFIZFZIGRLVARQ-LRDDRELGSA-N	1	0	259.780	4.014	40	0		CIABRO
CCCCCC[C@@H](C)[NH2+]CCOC(=O)Nc1ccccc1	ZINC000001996758	169765840	/nfs/dbraw/zinc/76/58/40/169765840.db2.gz	IARONQIBEXQDAO-OAHLLOKOSA-N	1	0	292.423	4.184	40	0		CIABRO
Cc1ccc(CCSc2ccc(C(C)C)cc2)c[n+]1C	ZINC000003065139	169851711	/nfs/dbraw/zinc/85/17/11/169851711.db2.gz	BJGCXCQDBCQXGE-UHFFFAOYSA-N	1	0	286.464	4.278	40	0		CIABRO
CCc1ccc(/C=C\c2ccc(O)c3ccccc23)[n+](C)c1	ZINC000005049317	170060973	/nfs/dbraw/zinc/06/09/73/170060973.db2.gz	GBMPHTAVCMDZKU-UHFFFAOYSA-O	1	0	290.386	4.103	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CCCC[C@H]3C[C@H]12	ZINC000005082440	170064976	/nfs/dbraw/zinc/06/49/76/170064976.db2.gz	JUPDIHMJFPDGMY-PMUMKWKESA-N	1	0	280.415	4.277	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CCCC[C@@H]3C[C@@H]12	ZINC000005082441	170065103	/nfs/dbraw/zinc/06/51/03/170065103.db2.gz	JUPDIHMJFPDGMY-LBTNJELSSA-N	1	0	280.415	4.277	40	0		CIABRO
Cn1c(C=Cc2ccc(Cl)cc2)[o+]c2ccccc21	ZINC000006519970	170208783	/nfs/dbraw/zinc/20/87/83/170208783.db2.gz	RDXDGXWBWJOFJE-DHZHZOJOSA-N	1	0	270.739	4.081	40	0		CIABRO
C[n+]1c(/C=C/c2ccccc2Cl)ccc2ccccc21	ZINC000008614629	170342837	/nfs/dbraw/zinc/34/28/37/170342837.db2.gz	DCDGMRPHKJYHLR-ZRDIBKRKSA-N	1	0	280.778	4.488	40	0		CIABRO
c1ccc([C@@H]2C[N@@H+](Cc3ccccn3)CC23CCCC3)cc1	ZINC000012337397	170477064	/nfs/dbraw/zinc/47/70/64/170477064.db2.gz	DDGHTVWGMHHYEL-IBGZPJMESA-N	1	0	292.426	4.241	40	0		CIABRO
[NH3+]Cc1ccc(-c2nc3c(cccc3Cl)s2)cc1	ZINC000045920812	175386671	/nfs/dbraw/zinc/38/66/71/175386671.db2.gz	JHRHHTNXAQHXJV-UHFFFAOYSA-N	1	0	274.776	4.075	40	0		CIABRO
CC(C)Oc1ccc(-c2ccc3[nH]cc(CC[NH3+])c3c2)cc1	ZINC000071650257	176240894	/nfs/dbraw/zinc/24/08/94/176240894.db2.gz	XHAHNGOGRKKTEA-UHFFFAOYSA-N	1	0	294.398	4.123	40	0		CIABRO
c1cnc2[nH]c(C3CCCC3)c(C[NH+]3CCCCC3)c2c1	ZINC000072393369	176394310	/nfs/dbraw/zinc/39/43/10/176394310.db2.gz	LSAGHPLPTCXICO-UHFFFAOYSA-N	1	0	283.419	4.206	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1Cl	ZINC000072211522	567917419	/nfs/dbraw/zinc/91/74/19/567917419.db2.gz	IQSCBDMNKAZIMK-ZDUSSCGKSA-N	1	0	252.789	4.062	40	0		CIABRO
Cc1cc(Cl)ccc1-n1cccc1C[NH2+]CC(C)C	ZINC000223686293	567950373	/nfs/dbraw/zinc/95/03/73/567950373.db2.gz	HDTUVRJMNFVAFQ-UHFFFAOYSA-N	1	0	276.811	4.185	40	0		CIABRO
COc1ccccc1C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1	ZINC000601032724	566995690	/nfs/dbraw/zinc/99/56/90/566995690.db2.gz	OPOYXGQXRAORRI-INIZCTEOSA-N	1	0	283.415	4.067	40	0	in-vitro	CIABRO
C[C@@H](C1=C(CC[NH+](C)C)Cc2ccccc21)c1ccccn1	ZINC000001481789	567837703	/nfs/dbraw/zinc/83/77/03/567837703.db2.gz	MVMQESMQSYOVGV-OAHLLOKOSA-N	1	0	292.426	4.147	40	0	world	CIABRO
CSc1c2[nH]c3ccccc3c2c(C)c2c1CCN=C2	ZINC000001580540	567838499	/nfs/dbraw/zinc/83/84/99/567838499.db2.gz	OBTVHDQURUMEDJ-UHFFFAOYSA-N	1	0	280.396	4.326	40	0		CIABRO
CCC1(O)C[C@H](c2ccccc2)[NH+](C)[C@@H](c2ccccc2)C1	ZINC000001582016	567838766	/nfs/dbraw/zinc/83/87/66/567838766.db2.gz	IQHJPMRZLRSPJV-RTBURBONSA-N	1	0	295.426	4.336	40	0		CIABRO
O[C@H](C[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)oc1ccccc12	ZINC000001580918	567838811	/nfs/dbraw/zinc/83/88/11/567838811.db2.gz	LKHZVNUBYURFCB-WMLDXEAASA-N	1	0	295.382	4.152	40	0	in-vitro	CIABRO
CCC[NH+](CCC)C[C@H](O)c1ccc2cccc3c2c1CC3	ZINC000001592051	567839089	/nfs/dbraw/zinc/83/90/89/567839089.db2.gz	ANBPAJXEMOXNBJ-IBGZPJMESA-N	1	0	297.442	4.094	40	0		CIABRO
CC(C)[NH+](CCOC(=O)Nc1ccccc1Cl)C(C)C	ZINC000001671721	567841160	/nfs/dbraw/zinc/84/11/60/567841160.db2.gz	YRNSMOMLRPEGKG-UHFFFAOYSA-N	1	0	298.814	4.007	40	0		CIABRO
C[C@@H]1CC(c2ccccc2)(c2ccccc2)C[C@@H](C)[NH+]1C	ZINC000001682378	567841468	/nfs/dbraw/zinc/84/14/68/567841468.db2.gz	BDJNJLJMYWGCJK-IAGOWNOFSA-N	1	0	279.427	4.475	40	0		CIABRO
c1c2ccccc2[nH]c1-c1ccc[n+](Cc2ccccc2)c1	ZINC000001708656	567842020	/nfs/dbraw/zinc/84/20/20/567842020.db2.gz	TYKIYNYHYPAGKO-UHFFFAOYSA-N	1	0	285.370	4.171	40	0	in-vitro	CIABRO
CC[NH+](CC)CCOC(=O)C1(CCC(C)C)CCCCC1	ZINC000001719281	567842384	/nfs/dbraw/zinc/84/23/84/567842384.db2.gz	BHSHHNNBVMXJNZ-UHFFFAOYSA-N	1	0	297.483	4.258	40	0	in-man	CIABRO
Cc1cc(CC[NH3+])c(C)c2c3ccccc3sc21	ZINC000001715735	567842386	/nfs/dbraw/zinc/84/23/86/567842386.db2.gz	BNORDHBXWUROCO-UHFFFAOYSA-N	1	0	255.386	4.173	40	0		CIABRO
CC[C@H](C)c1cc(C[NH+](C)C)cc([C@@H](C)CC)c1O	ZINC000001737449	567842781	/nfs/dbraw/zinc/84/27/81/567842781.db2.gz	ABNHYWYMPDTOFQ-STQMWFEESA-N	1	0	263.425	4.481	40	0		CIABRO
CC(C)c1cccc(C(C)C)c1OCCC[NH+](C)C	ZINC000001734047	567842823	/nfs/dbraw/zinc/84/28/23/567842823.db2.gz	CTURBXDYKUIGNT-UHFFFAOYSA-N	1	0	263.425	4.264	40	0		CIABRO
C[n+]1c(/C=C\C=C\c2ccccc2)sc2ccccc21	ZINC000017145618	567874911	/nfs/dbraw/zinc/87/49/11/567874911.db2.gz	ICSAXDKCCTYWSW-OWBBHAKYSA-N	1	0	278.400	4.452	40	0		CIABRO
Cc1cnccc1C[NH2+][C@@H]1[C@H]2CCC[C@H]2[C@H]1c1ccccc1	ZINC000019239546	567877201	/nfs/dbraw/zinc/87/72/01/567877201.db2.gz	GAOIPVOSZLYRCS-IYWMVGAKSA-N	1	0	292.426	4.062	40	0		CIABRO
CCCc1cc([C@H]2CCCCCN2Cc2ccccn2)no1	ZINC000019525410	567877896	/nfs/dbraw/zinc/87/78/96/567877896.db2.gz	DFGIMGCVPQOLSR-GOSISDBHSA-N	1	0	299.418	4.139	40	0		CIABRO
c1ccc(-c2[nH]c3ccccc3c2[C@H]2CCC[NH2+]2)cc1	ZINC000073641569	567890238	/nfs/dbraw/zinc/89/02/38/567890238.db2.gz	CMKZJWXXYLZKDV-MRXNPFEDSA-N	1	0	262.356	4.259	40	0		CIABRO
Cc1[nH]c2ccc(Cl)cc2c1/C=C/c1cc[n+](C)cc1	ZINC000013626527	567893149	/nfs/dbraw/zinc/89/31/49/567893149.db2.gz	NNUDGNVORDIARF-UHFFFAOYSA-O	1	0	283.782	4.125	40	0		CIABRO
CC(C)[C@@H]([NH3+])c1cccc2c1ccn2C(=O)OC(C)(C)C	ZINC000096509800	567897635	/nfs/dbraw/zinc/89/76/35/567897635.db2.gz	YKSRDSWXSKNVBY-OAHLLOKOSA-N	1	0	288.391	4.080	40	0		CIABRO
CC(C)[C@H]([NH3+])c1cccc2c1ccn2C(=O)OC(C)(C)C	ZINC000096509799	567897695	/nfs/dbraw/zinc/89/76/95/567897695.db2.gz	YKSRDSWXSKNVBY-HNNXBMFYSA-N	1	0	288.391	4.080	40	0		CIABRO
CCOc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211806	567917566	/nfs/dbraw/zinc/91/75/66/567917566.db2.gz	CUDDBBQLJZJIOU-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1Br	ZINC000072211632	567917572	/nfs/dbraw/zinc/91/75/72/567917572.db2.gz	SAUOWQWPYCXVOA-ZDUSSCGKSA-N	1	0	297.240	4.027	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1	ZINC000072212198	567918038	/nfs/dbraw/zinc/91/80/38/567918038.db2.gz	PNSOVFKYNCGISX-QGZVFWFLSA-N	1	0	282.387	4.419	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1	ZINC000072212958	567918064	/nfs/dbraw/zinc/91/80/64/567918064.db2.gz	WEHXKDSCQZRFBX-KRWDZBQOSA-N	1	0	289.467	4.252	40	0		CIABRO
CC(C)N(c1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1)C(C)C	ZINC000072212956	567918074	/nfs/dbraw/zinc/91/80/74/567918074.db2.gz	AMKHCYFEFFOASC-KRWDZBQOSA-N	1	0	289.467	4.250	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212035	567918258	/nfs/dbraw/zinc/91/82/58/567918258.db2.gz	MQVQFLNUOYKTIZ-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1OCc1ccccc1	ZINC000072212095	567918417	/nfs/dbraw/zinc/91/84/17/567918417.db2.gz	GPZHCHPMSUGOBY-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1OC(C)C	ZINC000072211983	567918528	/nfs/dbraw/zinc/91/85/28/567918528.db2.gz	QKJVEGGCSKISCN-MRXNPFEDSA-N	1	0	276.424	4.196	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212130	567918554	/nfs/dbraw/zinc/91/85/54/567918554.db2.gz	BGIYLXANXIZRRZ-MRXNPFEDSA-N	1	0	268.360	4.031	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C	ZINC000072213032	567918628	/nfs/dbraw/zinc/91/86/28/567918628.db2.gz	FGAGBYAAZDWQCT-QGZVFWFLSA-N	1	0	289.467	4.252	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000072213427	567918957	/nfs/dbraw/zinc/91/89/57/567918957.db2.gz	XDNGZZLWWCNZMK-ZBFHGGJFSA-N	1	0	275.440	4.227	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1	ZINC000072214137	567919531	/nfs/dbraw/zinc/91/95/31/567919531.db2.gz	CTGZDFQCYWPVAY-QGZVFWFLSA-N	1	0	281.403	4.371	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214257	567919784	/nfs/dbraw/zinc/91/97/84/567919784.db2.gz	MPPVZYWWPMVMLD-GOSISDBHSA-N	1	0	295.430	4.395	40	0		CIABRO
c1cc(SC2CCCCC2)ncc1[C@H]1CCCC[NH2+]1	ZINC000072217254	567919884	/nfs/dbraw/zinc/91/98/84/567919884.db2.gz	UORKNNKYDGMTAE-OAHLLOKOSA-N	1	0	276.449	4.321	40	0		CIABRO
Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)cnc1Cl	ZINC000072217770	567920411	/nfs/dbraw/zinc/92/04/11/567920411.db2.gz	ZRBIABILMSOCCP-MRXNPFEDSA-N	1	0	286.806	4.381	40	0		CIABRO
Cc1cc(=S)[nH]cc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072218310	567921141	/nfs/dbraw/zinc/92/11/41/567921141.db2.gz	GCKGFDDKKFMREN-MRXNPFEDSA-N	1	0	284.428	4.016	40	0		CIABRO
CSc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072216871	567921227	/nfs/dbraw/zinc/92/12/27/567921227.db2.gz	CVYZPFNSFYUIQC-MRXNPFEDSA-N	1	0	284.428	4.141	40	0		CIABRO
Cc1cc(=S)[nH]cc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072218309	567921235	/nfs/dbraw/zinc/92/12/35/567921235.db2.gz	GCKGFDDKKFMREN-INIZCTEOSA-N	1	0	284.428	4.016	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1	ZINC000072219584	567921957	/nfs/dbraw/zinc/92/19/57/567921957.db2.gz	YAJPBAZKYBDVLZ-KRWDZBQOSA-N	1	0	254.377	4.172	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1	ZINC000072221756	567922200	/nfs/dbraw/zinc/92/22/00/567922200.db2.gz	YRANYKOMDPMQSS-QGZVFWFLSA-N	1	0	256.393	4.495	40	0		CIABRO
Fc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1	ZINC000072221832	567922232	/nfs/dbraw/zinc/92/22/32/567922232.db2.gz	JKWRIZVPHCHZGD-KRWDZBQOSA-N	1	0	255.336	4.163	40	0		CIABRO
CCCN(CCC)c1cc(C)c([C@@H]([NH3+])c2ccccc2)cn1	ZINC000072223298	567922394	/nfs/dbraw/zinc/92/23/94/567922394.db2.gz	AARCASNACLAEFM-IBGZPJMESA-N	1	0	297.446	4.065	40	0		CIABRO
Clc1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccccc3)CC[C@@H]1N2	ZINC000001423970	567931567	/nfs/dbraw/zinc/93/15/67/567931567.db2.gz	JOMOGEDBRWSELD-AEFFLSMTSA-N	1	0	298.817	4.124	40	0		CIABRO
C[NH+](C)CC(C)(C)[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@H]21	ZINC000004027058	567932359	/nfs/dbraw/zinc/93/23/59/567932359.db2.gz	HCPHZQAJVVJZLU-BDXSIMOUSA-N	1	0	291.479	4.258	40	0		CIABRO
C[C@@H]1CCCC[N@@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000001666021	567937460	/nfs/dbraw/zinc/93/74/60/567937460.db2.gz	UCRINIDIKIVONC-LSTHTHJFSA-N	1	0	295.426	4.336	40	0		CIABRO
CC[NH2+][C@@H](CC)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000222636671	567948882	/nfs/dbraw/zinc/94/88/82/567948882.db2.gz	QFRUBFQOESPNMQ-KRWDZBQOSA-N	1	0	299.414	4.335	40	0		CIABRO
CCn1c(C)c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc21	ZINC000223769652	567950634	/nfs/dbraw/zinc/95/06/34/567950634.db2.gz	RNFSGKWHZGZTNZ-UHFFFAOYSA-N	1	0	288.435	4.255	40	0		CIABRO
CCn1c(C[NH2+]C2CCCCC2)ccc1CC(C)C	ZINC000226020400	567955322	/nfs/dbraw/zinc/95/53/22/567955322.db2.gz	HBNQKSFQZLKDBG-UHFFFAOYSA-N	1	0	262.441	4.129	40	0		CIABRO
CCn1c(C[NH2+]C2CCCCC2)ccc1Cc1ccco1	ZINC000226021612	567955400	/nfs/dbraw/zinc/95/54/00/567955400.db2.gz	BXPOSAHANASCFY-UHFFFAOYSA-N	1	0	286.419	4.114	40	0		CIABRO
CC[NH+](CC)c1ccc(NCc2ccc(OC)cc2)cc1	ZINC000032130145	570310617	/nfs/dbraw/zinc/31/06/17/570310617.db2.gz	OUVZVCIIAHMLBI-UHFFFAOYSA-N	1	0	284.403	4.154	40	0		CIABRO
Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2Cl)cc1	ZINC000019804211	570335268	/nfs/dbraw/zinc/33/52/68/570335268.db2.gz	CEFQOHBALNYSIL-CQSZACIVSA-N	1	0	266.171	4.350	40	0		CIABRO
C#[N+]c1c(C)cc(Br)cc1Br	ZINC000095698222	185018233	/nfs/dbraw/zinc/01/82/33/185018233.db2.gz	RTBLWGMKCSDSLA-UHFFFAOYSA-N	1	0	274.943	4.071	40	0		CIABRO
Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	ZINC000195530825	189677436	/nfs/dbraw/zinc/67/74/36/189677436.db2.gz	PKKNCFQHEHWILZ-JGGQBBKZSA-N	1	0	263.450	4.361	40	0		CIABRO
CC[C@@H](C)[NH2+][C@H](C)c1ccccc1OC1CCCC1	ZINC000225160071	189744455	/nfs/dbraw/zinc/74/44/55/189744455.db2.gz	PGIZRHHLWFSQAS-ZIAGYGMSSA-N	1	0	261.409	4.457	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212138	256713645	/nfs/dbraw/zinc/71/36/45/256713645.db2.gz	XICFXDKVDIWEQJ-QGZVFWFLSA-N	1	0	282.387	4.419	40	0		CIABRO
Cc1[nH+]c2ccc(Br)cc2c(N)c1C(C)C	ZINC000061687776	256724544	/nfs/dbraw/zinc/72/45/44/256724544.db2.gz	HYYQJGMJUKPGGK-UHFFFAOYSA-N	1	0	279.181	4.011	40	0		CIABRO
Clc1cccc([NH+]=C(c2ccccc2)N2CCCCC2)c1	ZINC000001730726	169752056	/nfs/dbraw/zinc/75/20/56/169752056.db2.gz	SDKOPBXAIGTISJ-UHFFFAOYSA-O	1	0	299.825	4.395	40	0		CIABRO
C[NH+](C)CC[C@]12CCCC[C@H]1CCc1ccccc12	ZINC000002022086	169768860	/nfs/dbraw/zinc/76/88/60/169768860.db2.gz	OUYMNJSATUVSSG-FUHWJXTLSA-N	1	0	257.421	4.013	40	0		CIABRO
O[C@@H](C[NH+]1CCCCC1)c1ccc2oc3ccccc3c2c1	ZINC000005339438	170087440	/nfs/dbraw/zinc/08/74/40/170087440.db2.gz	UOGYBJACYJSPLK-KRWDZBQOSA-N	1	0	295.382	4.105	40	0		CIABRO
C[N@@H+]1C=C[C@H]2c3ccccc3[C@H](c3ccccc3)C2=C1	ZINC000005535422	170109841	/nfs/dbraw/zinc/10/98/41/170109841.db2.gz	RTYBSLQCSAMKSQ-LPHOPBHVSA-N	1	0	259.352	4.259	40	0		CIABRO
CC[C@@H](C)[NH2+]Cc1ccc(OCc2cccs2)cc1	ZINC000005907286	170153839	/nfs/dbraw/zinc/15/38/39/170153839.db2.gz	JFSWELMGLRGKCK-CYBMUJFWSA-N	1	0	275.417	4.215	40	0		CIABRO
Cl/C(=C\C=[N+]1CCCCC1)c1ccc(Cl)cc1	ZINC000005944477	170160607	/nfs/dbraw/zinc/16/06/07/170160607.db2.gz	QOCIWICFZYHSMC-ZSOIEALJSA-N	1	0	269.195	4.187	40	0		CIABRO
CCCC[C@H](C[NH+]1CCCCC1)C(=O)c1ccccc1	ZINC000006379815	170196224	/nfs/dbraw/zinc/19/62/24/170196224.db2.gz	VTNMRUFCVUYBPZ-QGZVFWFLSA-N	1	0	273.420	4.162	40	0		CIABRO
C[N@@H+]1C=C[C@@H]2c3ccccc3[C@@H](c3ccccc3)C2=C1	ZINC000006379297	170196360	/nfs/dbraw/zinc/19/63/60/170196360.db2.gz	RTYBSLQCSAMKSQ-VQIMIIECSA-N	1	0	259.352	4.259	40	0		CIABRO
Cn1c2ccccc2c2c1[C@H]1C[C@H]3CCCC[C@@H]3C[N@@H+]1CC2	ZINC000008616302	170343055	/nfs/dbraw/zinc/34/30/55/170343055.db2.gz	SNMPZBCEJSLAEK-SPYBWZPUSA-N	1	0	294.442	4.288	40	0		CIABRO
CCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2C)o1	ZINC000020158643	171040060	/nfs/dbraw/zinc/04/00/60/171040060.db2.gz	HGUYWEAZWOREQM-UHFFFAOYSA-N	1	0	263.768	4.408	40	0		CIABRO
CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1	ZINC000022076452	171352083	/nfs/dbraw/zinc/35/20/83/171352083.db2.gz	GEAMTARHPCKIDL-KXBFYZLASA-N	1	0	283.415	4.022	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1	ZINC000072352988	176374218	/nfs/dbraw/zinc/37/42/18/176374218.db2.gz	GFWZUZYYIBOLBL-QGZVFWFLSA-N	1	0	296.418	4.013	40	0		CIABRO
Cc1ccccc1O[C@@H](CC[NH+](C)C)c1ccccc1	ZINC000039298020	260172398	/nfs/dbraw/zinc/17/23/98/260172398.db2.gz	UCPQMRYBCNDVHU-SFHVURJKSA-N	1	0	269.388	4.067	40	0		CIABRO
CCOc1cc(C[NH2+]CC(C)C)ccc1O[C@H](C)CC	ZINC000062731173	566821805	/nfs/dbraw/zinc/82/18/05/566821805.db2.gz	FTVDDWLOMOZIMX-CQSZACIVSA-N	1	0	279.424	4.008	40	0		CIABRO
C[NH+](C)[C@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1	ZINC000575411050	566931891	/nfs/dbraw/zinc/93/18/91/566931891.db2.gz	ZGXMCIFMBWGPEK-MRXNPFEDSA-N	1	0	277.839	4.492	40	0		CIABRO
CC[C@H](C)n1c2ccc(Cl)cc2nc1CCCCC[NH3+]	ZINC000053994577	566971779	/nfs/dbraw/zinc/97/17/79/566971779.db2.gz	QSKSLCUNPPNCEO-LBPRGKRZSA-N	1	0	293.842	4.332	40	0		CIABRO
[NH3+][C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000070452974	567115217	/nfs/dbraw/zinc/11/52/17/567115217.db2.gz	KBQMGIIKQVQJOA-ONGXEEELSA-N	1	0	268.143	4.068	40	0		CIABRO
Cc1ccc([C@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1	ZINC000019806995	567123378	/nfs/dbraw/zinc/12/33/78/567123378.db2.gz	LPUYXQTZGHIZCF-AWEZNQCLSA-N	1	0	265.278	4.062	40	0		CIABRO
O=C1CCCC[C@@H]1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1	ZINC000217463872	567170240	/nfs/dbraw/zinc/17/02/40/567170240.db2.gz	SAESRSLNLIIPIA-MSOLQXFVSA-N	1	0	285.431	4.191	40	0		CIABRO
CCCCC[NH2+][C@@H](Cc1ccccc1)c1ccc(O)cc1	ZINC000001663954	567840445	/nfs/dbraw/zinc/84/04/45/567840445.db2.gz	GEYBPNLMSSYMJW-IBGZPJMESA-N	1	0	283.415	4.456	40	0		CIABRO
CC[NH+](CC)CCOc1cccc(Oc2ccccc2)c1	ZINC000001668972	567840760	/nfs/dbraw/zinc/84/07/60/567840760.db2.gz	IQXUEVFWTFDAEH-UHFFFAOYSA-N	1	0	285.387	4.200	40	0		CIABRO
c1ccc(CC(Cc2ccccc2)C[NH+]2CCCC2)cc1	ZINC000001727815	567842853	/nfs/dbraw/zinc/84/28/53/567842853.db2.gz	KACQEALMFVUQEZ-UHFFFAOYSA-N	1	0	279.427	4.184	40	0		CIABRO
C[NH+](C)CC[C@@]12CCCC[C@H]1CCc1ccccc12	ZINC000002022087	567843923	/nfs/dbraw/zinc/84/39/23/567843923.db2.gz	OUYMNJSATUVSSG-WMZOPIPTSA-N	1	0	257.421	4.013	40	0		CIABRO
Cc1cccc(C[C@H](c2cccc(C)c2)[NH+](C)C)c1	ZINC000002048473	567844602	/nfs/dbraw/zinc/84/46/02/567844602.db2.gz	ZCDHAHXLODZAHU-GOSISDBHSA-N	1	0	253.389	4.149	40	0		CIABRO
CC[NH+](CC)C[C@@H]1CCCCCCCCCCC1=O	ZINC000003593581	567853143	/nfs/dbraw/zinc/85/31/43/567853143.db2.gz	QRWPFCOKFVKQLA-INIZCTEOSA-N	1	0	267.457	4.428	40	0		CIABRO
CCC[C@@H]1[C@@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004119594	567855276	/nfs/dbraw/zinc/85/52/76/567855276.db2.gz	YVHNHXUETQZHOA-YSTOQKLRSA-N	1	0	295.426	4.240	40	0		CIABRO
c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1	ZINC000012088979	567862224	/nfs/dbraw/zinc/86/22/24/567862224.db2.gz	HLYAFYPWIRHLMP-FYQPLNBISA-N	1	0	292.426	4.144	40	0		CIABRO
c1ccc([C@H]2C[N@@H+](Cc3ccccn3)CC23CCCC3)cc1	ZINC000012337396	567862607	/nfs/dbraw/zinc/86/26/07/567862607.db2.gz	DDGHTVWGMHHYEL-LJQANCHMSA-N	1	0	292.426	4.241	40	0		CIABRO
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccs2)on1	ZINC000012337042	567862793	/nfs/dbraw/zinc/86/27/93/567862793.db2.gz	RLOUDGRFQDOSIA-AWEZNQCLSA-N	1	0	276.405	4.162	40	0		CIABRO
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2F)on1	ZINC000019120310	567877442	/nfs/dbraw/zinc/87/74/42/567877442.db2.gz	HMGKRVZJTZNNHZ-INIZCTEOSA-N	1	0	288.366	4.239	40	0		CIABRO
CC(C)[C@@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C	ZINC000096509788	567897712	/nfs/dbraw/zinc/89/77/12/567897712.db2.gz	YCWDCLHLZSSMOL-OAHLLOKOSA-N	1	0	288.391	4.080	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(OC(C)C)nc1	ZINC000072211924	567917732	/nfs/dbraw/zinc/91/77/32/567917732.db2.gz	HFUQEFGUSGDLAN-INIZCTEOSA-N	1	0	276.424	4.196	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1Cl	ZINC000072211521	567917754	/nfs/dbraw/zinc/91/77/54/567917754.db2.gz	IQSCBDMNKAZIMK-CYBMUJFWSA-N	1	0	252.789	4.062	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CC)nc1	ZINC000072213514	567918751	/nfs/dbraw/zinc/91/87/51/567918751.db2.gz	PCGQIUDEOIVOLH-HOCLYGCPSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1	ZINC000072213923	567918931	/nfs/dbraw/zinc/91/89/31/567918931.db2.gz	QHBDYZZMZLIGRG-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1	ZINC000072214019	567919100	/nfs/dbraw/zinc/91/91/00/567919100.db2.gz	LEGBOQHAXNJJNU-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CC(C)CNc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000072213274	567919249	/nfs/dbraw/zinc/91/92/49/567919249.db2.gz	HFNFZODUZLVOJX-INIZCTEOSA-N	1	0	275.440	4.085	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cccnc1NCC(C)C	ZINC000072213273	567919275	/nfs/dbraw/zinc/91/92/75/567919275.db2.gz	XTHYGXQYBYZOSC-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213432	567919357	/nfs/dbraw/zinc/91/93/57/567919357.db2.gz	XOAVLONQJKSDTM-RDJZCZTQSA-N	1	0	289.467	4.475	40	0		CIABRO
COc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c(C)n1	ZINC000072218102	567919955	/nfs/dbraw/zinc/91/99/55/567919955.db2.gz	OKEGRWDTXQTUIQ-SFHVURJKSA-N	1	0	296.414	4.126	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214274	567920029	/nfs/dbraw/zinc/92/00/29/567920029.db2.gz	FVPVOARHOGYRLX-GOSISDBHSA-N	1	0	295.430	4.396	40	0		CIABRO
Cc1cc(Cl)ncc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072217830	567920310	/nfs/dbraw/zinc/92/03/10/567920310.db2.gz	MGKLHUXJKVUUQR-MRXNPFEDSA-N	1	0	286.806	4.381	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(SC(C)C)nc1	ZINC000072217483	567920366	/nfs/dbraw/zinc/92/03/66/567920366.db2.gz	TYWYDMINGSSBEU-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216060	567920573	/nfs/dbraw/zinc/92/05/73/567920573.db2.gz	QZBHPMNXAYUCET-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]c1=S	ZINC000072218286	567920967	/nfs/dbraw/zinc/92/09/67/567920967.db2.gz	VXJPPCHELVJYCR-KRWDZBQOSA-N	1	0	298.455	4.406	40	0		CIABRO
Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=S	ZINC000072218250	567921352	/nfs/dbraw/zinc/92/13/52/567921352.db2.gz	RCCGEHJVOKVJCE-MRXNPFEDSA-N	1	0	284.428	4.016	40	0		CIABRO
CNc1ncc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C	ZINC000072219006	567921786	/nfs/dbraw/zinc/92/17/86/567921786.db2.gz	HNOWLWNOSXATHU-SFHVURJKSA-N	1	0	295.430	4.159	40	0		CIABRO
CNc1cc(C)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072219067	567921940	/nfs/dbraw/zinc/92/19/40/567921940.db2.gz	MKWPFDBVPAKCRL-GOSISDBHSA-N	1	0	295.430	4.159	40	0		CIABRO
Cc1cc(Oc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1	ZINC000072223165	567922202	/nfs/dbraw/zinc/92/22/02/567922202.db2.gz	GVMISIIHAOJVTG-IBGZPJMESA-N	1	0	290.366	4.230	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1	ZINC000072221806	567922226	/nfs/dbraw/zinc/92/22/26/567922226.db2.gz	OOBQMDBCXXCHQD-KRWDZBQOSA-N	1	0	254.377	4.172	40	0		CIABRO
Fc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cc1	ZINC000072221831	567922316	/nfs/dbraw/zinc/92/23/16/567922316.db2.gz	JKWRIZVPHCHZGD-QGZVFWFLSA-N	1	0	255.336	4.163	40	0		CIABRO
[NH3+][C@@H](c1ccccc1)c1ccc(Sc2ccccc2)nc1	ZINC000072225206	567922602	/nfs/dbraw/zinc/92/26/02/567922602.db2.gz	OXUUXMGYZLZKPZ-SFHVURJKSA-N	1	0	292.407	4.281	40	0		CIABRO
CCCN(CCC)c1ccc([C@H]([NH3+])c2ccccc2)c(C)n1	ZINC000072224339	567922716	/nfs/dbraw/zinc/92/27/16/567922716.db2.gz	PVSOVNHAYSNAFC-LJQANCHMSA-N	1	0	297.446	4.065	40	0		CIABRO
Cc1cc(NCc2cccnc2)c2ccc(Cl)cc2[nH+]1	ZINC000000120872	567929371	/nfs/dbraw/zinc/92/93/71/567929371.db2.gz	FBRKCENQCSWWFB-UHFFFAOYSA-N	1	0	283.762	4.204	40	0		CIABRO
[NH3+][C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000070452869	567930825	/nfs/dbraw/zinc/93/08/25/567930825.db2.gz	JCLUCLDXBZZIJD-LDYMZIIASA-N	1	0	268.143	4.068	40	0		CIABRO
CC(C)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1	ZINC000001667016	567937415	/nfs/dbraw/zinc/93/74/15/567937415.db2.gz	MDCAXCVWFHKLAO-SFHVURJKSA-N	1	0	253.389	4.216	40	0		CIABRO
O=C(c1ccccc1)[C@@H](c1ccccc1)[NH+]1CCCCC1	ZINC000057599096	567948302	/nfs/dbraw/zinc/94/83/02/567948302.db2.gz	YNLPWDOOECMWIQ-GOSISDBHSA-N	1	0	279.383	4.097	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1ccccc1Cl	ZINC000223684321	567950218	/nfs/dbraw/zinc/95/02/18/567950218.db2.gz	UBNPJMROZWINAU-UHFFFAOYSA-N	1	0	262.784	4.020	40	0		CIABRO
CCC[NH2+]Cc1c2cc(OC)ccc2n(C(C)C)c1C	ZINC000223765836	567950685	/nfs/dbraw/zinc/95/06/85/567950685.db2.gz	VJKMWIKCCBUHQF-UHFFFAOYSA-N	1	0	274.408	4.039	40	0		CIABRO
CCC[NH2+]Cc1c(C)n(CCC)c2ccc(OCC)cc21	ZINC000223766218	567950728	/nfs/dbraw/zinc/95/07/28/567950728.db2.gz	VJGLJTNPYPKPOC-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CCC[NH2+]Cc1c(C)[nH]c2ccc(O[C@H](C)CC)cc21	ZINC000223767402	567950794	/nfs/dbraw/zinc/95/07/94/567950794.db2.gz	GHKSWRKICMAUKT-GFCCVEGCSA-N	1	0	274.408	4.153	40	0		CIABRO
CCCn1c(C)c(C[NH2+]C)c2cc(O[C@H](C)CC)ccc21	ZINC000223760667	567950820	/nfs/dbraw/zinc/95/08/20/567950820.db2.gz	HXXCBEFWLNIQLX-CYBMUJFWSA-N	1	0	288.435	4.256	40	0		CIABRO
CC[n+]1ccc(/C=C/c2c(Cl)cccc2Cl)cc1	ZINC000016980704	570225907	/nfs/dbraw/zinc/22/59/07/570225907.db2.gz	ZQLZPQSDPYUPLW-VOTSOKGWSA-N	1	0	279.190	4.471	40	0		CIABRO
C[N@@H+]1CCC[C@H]1CCOc1ccccc1Oc1ccccc1	ZINC000585266230	570256795	/nfs/dbraw/zinc/25/67/95/570256795.db2.gz	RMNUCPDFOSZXBW-INIZCTEOSA-N	1	0	297.398	4.342	40	0		CIABRO
[NH3+][C@@H](c1ccccc1)c1ccc(Cl)cc1Cl	ZINC000019804004	570335193	/nfs/dbraw/zinc/33/51/93/570335193.db2.gz	WAUHYSYCFRQOFK-ZDUSSCGKSA-N	1	0	252.144	4.042	40	0		CIABRO
[NH3+]Cc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1	ZINC000216763409	570346279	/nfs/dbraw/zinc/34/62/79/570346279.db2.gz	YVZLMZXWQUNAMY-UHFFFAOYSA-N	1	0	274.323	4.107	40	0		CIABRO
FC(F)(F)c1ccc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1	ZINC000096311728	570359060	/nfs/dbraw/zinc/35/90/60/570359060.db2.gz	KBLXXLKPNAXOBC-UQPYNNQESA-N	1	0	289.728	4.357	40	0		CIABRO
CCCCCC[NH2+]Cc1cc(C2CC2)nn1C(C)C	ZINC000256055087	190005711	/nfs/dbraw/zinc/00/57/11/190005711.db2.gz	ZCCFMMKESVJLON-UHFFFAOYSA-N	1	0	263.429	4.011	40	0		CIABRO
Cc1cc(Oc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1	ZINC000072223164	256706562	/nfs/dbraw/zinc/70/65/62/256706562.db2.gz	GVMISIIHAOJVTG-LJQANCHMSA-N	1	0	290.366	4.230	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(NCC(C)C)nc1	ZINC000072213339	256712929	/nfs/dbraw/zinc/71/29/29/256712929.db2.gz	XQMUXCIGEIKUFY-KRWDZBQOSA-N	1	0	289.467	4.477	40	0		CIABRO
C[NH+](C)CCCOc1ccc(/C=C\c2ccccc2)cc1	ZINC000004758141	170012901	/nfs/dbraw/zinc/01/29/01/170012901.db2.gz	PCKSDEVYKAXSRH-KTKRTIGZSA-N	1	0	281.399	4.188	40	0		CIABRO
CCCCCc1cc[n+](/C=C\c2ccccc2)cc1	ZINC000004777955	170016390	/nfs/dbraw/zinc/01/63/90/170016390.db2.gz	NULBECRRJWGSGJ-KAMYIIQDSA-N	1	0	252.381	4.335	40	0		CIABRO
CCCCN(CCCC)C(=[NH2+])OC1CCCCC1	ZINC000004803215	170019090	/nfs/dbraw/zinc/01/90/90/170019090.db2.gz	OFJJXJASDYGQOJ-UHFFFAOYSA-N	1	0	254.418	4.173	40	0		CIABRO
CCCCCCC(CCCCCC)[NH2+]C[C@H](C)O	ZINC000005523938	170108155	/nfs/dbraw/zinc/10/81/55/170108155.db2.gz	OVSPSIYSEFMWIX-HNNXBMFYSA-N	1	0	257.462	4.266	40	0		CIABRO
CCC[C@@H](C(=O)OCC[N@@H+]1CCCC1(C)C)C1CCCC1	ZINC000006381251	170196555	/nfs/dbraw/zinc/19/65/55/170196555.db2.gz	HXFJNSFVVSEVMC-MRXNPFEDSA-N	1	0	295.467	4.011	40	0		CIABRO
CCCCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1	ZINC000007261326	170273798	/nfs/dbraw/zinc/27/37/98/170273798.db2.gz	KTQHSNOTINTUIV-AWEZNQCLSA-N	1	0	287.403	4.280	40	0		CIABRO
COc1cccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)c1	ZINC000008497369	170338182	/nfs/dbraw/zinc/33/81/82/170338182.db2.gz	UDDSPURBOAWCBH-UYIIGHAYSA-N	1	0	299.458	4.390	40	0		CIABRO
C[n+]1c(/C=C\C=C/c2ccccc2)sc2ccccc21	ZINC000031911984	171658475	/nfs/dbraw/zinc/65/84/75/171658475.db2.gz	ICSAXDKCCTYWSW-ORXDPHSNSA-N	1	0	278.400	4.452	40	0		CIABRO
CCOc1cc(C[NH2+]CC(C)C)ccc1O[C@@H](C)CC	ZINC000062731174	566822108	/nfs/dbraw/zinc/82/21/08/566822108.db2.gz	FTVDDWLOMOZIMX-AWEZNQCLSA-N	1	0	279.424	4.008	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@H](C)CC)nc1	ZINC000108368671	567102938	/nfs/dbraw/zinc/10/29/38/567102938.db2.gz	CZNBCILXWIZPGJ-ZBFHGGJFSA-N	1	0	275.440	4.229	40	0		CIABRO
CC(C)[NH+]1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1	ZINC000079026908	567113240	/nfs/dbraw/zinc/11/32/40/567113240.db2.gz	LGUSLIIYECVDAB-UHFFFAOYSA-N	1	0	295.426	4.045	40	0		CIABRO
[NH3+][C@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000070452973	567116079	/nfs/dbraw/zinc/11/60/79/567116079.db2.gz	KBQMGIIKQVQJOA-KOLCDFICSA-N	1	0	268.143	4.068	40	0		CIABRO
CCCCC[C@@H](C(=O)c1ccc(F)cc1)[NH+]1CCCC1	ZINC000096032877	567138725	/nfs/dbraw/zinc/13/87/25/567138725.db2.gz	YAFFHHPPOAYLLA-INIZCTEOSA-N	1	0	277.383	4.053	40	0	in-vitro	CIABRO
O=C1CCCC[C@H]1[C@H]1CCCCC[N@@H+]1Cc1ccccc1	ZINC000217464104	567170224	/nfs/dbraw/zinc/17/02/24/567170224.db2.gz	SAESRSLNLIIPIA-ZWKOTPCHSA-N	1	0	285.431	4.191	40	0		CIABRO
O=C1CCCC[C@@H]1[C@H]1CCCCC[N@@H+]1Cc1ccccc1	ZINC000217464014	567170459	/nfs/dbraw/zinc/17/04/59/567170459.db2.gz	SAESRSLNLIIPIA-QZTJIDSGSA-N	1	0	285.431	4.191	40	0		CIABRO
Brc1ccc([C@@H]2C[C@H]2C[NH+]2CCCCC2)cc1	ZINC000217799637	567176921	/nfs/dbraw/zinc/17/69/21/567176921.db2.gz	YOAAWXGZILTNEY-ZFWWWQNUSA-N	1	0	294.236	4.039	40	0		CIABRO
CCC[C@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C	ZINC000242548062	567194128	/nfs/dbraw/zinc/19/41/28/567194128.db2.gz	LBCDYEYYVRLZEA-GXTWGEPZSA-N	1	0	290.407	4.000	40	0		CIABRO
C(\c1ccccc1)=C1/C[NH2+]C/C(=C\c2ccccc2)C1	ZINC000001662214	567840226	/nfs/dbraw/zinc/84/02/26/567840226.db2.gz	VJVSOFFOHNGRHQ-VHVWWYSBSA-N	1	0	261.368	4.147	40	0		CIABRO
Cc1ccc2nc(C[n+]3ccc4ccccc4c3)ccc2c1	ZINC000001673075	567840905	/nfs/dbraw/zinc/84/09/05/567840905.db2.gz	WQGMCJPLHVUEBD-UHFFFAOYSA-N	1	0	285.370	4.032	40	0		CIABRO
CC[NH+](CC)C1CCC(Nc2cccc3cccnc32)CC1	ZINC000001683231	567841257	/nfs/dbraw/zinc/84/12/57/567841257.db2.gz	OEMSSZDQXBYAEM-UHFFFAOYSA-N	1	0	297.446	4.300	40	0		CIABRO
CC[NH+](CC)CCCNc1nccc2ccc(Cl)cc21	ZINC000001683256	567841309	/nfs/dbraw/zinc/84/13/09/567841309.db2.gz	VVGPCVTXHAJBTB-UHFFFAOYSA-N	1	0	291.826	4.032	40	0		CIABRO
CC[NH+](CC)CC[C@H](O)c1ccc2c(c1)[nH]c1ccccc12	ZINC000001710639	567841979	/nfs/dbraw/zinc/84/19/79/567841979.db2.gz	KPILBBGMVXWUTJ-IBGZPJMESA-N	1	0	296.414	4.086	40	0		CIABRO
CC[C@H](C)CC1(C(=O)OCC[NH+](CC)CC)CCCCC1	ZINC000001719282	567842541	/nfs/dbraw/zinc/84/25/41/567842541.db2.gz	LKBBXGQZBJNDSV-INIZCTEOSA-N	1	0	297.483	4.258	40	0		CIABRO
CCCCC1(C(=O)OCC[NH+](CC)CC)CCCCC1	ZINC000001719278	567842602	/nfs/dbraw/zinc/84/26/02/567842602.db2.gz	AFSKJHLBHVTXFZ-UHFFFAOYSA-N	1	0	283.456	4.012	40	0		CIABRO
CCCCO[PH+](N1CCCCC1)N1CCCCC1	ZINC000001737410	567842750	/nfs/dbraw/zinc/84/27/50/567842750.db2.gz	OHZKJNVBDIIYLA-UHFFFAOYSA-N	1	0	272.373	4.002	40	0		CIABRO
C[C@@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000001748036	567843237	/nfs/dbraw/zinc/84/32/37/567843237.db2.gz	YFIZFZIGRLVARQ-MLGOLLRUSA-N	1	0	259.780	4.014	40	0		CIABRO
CC[NH+](CC)CCN(c1ccccc1)c1ccccc1	ZINC000002016966	567844174	/nfs/dbraw/zinc/84/41/74/567844174.db2.gz	BKNNWEPTYFMOKH-UHFFFAOYSA-N	1	0	268.404	4.167	40	0		CIABRO
[NH3+][C@@H]1CC[C@](c2ccccc2)(c2ccc(Cl)cc2)C1	ZINC000003601877	567853228	/nfs/dbraw/zinc/85/32/28/567853228.db2.gz	PBXXNPPLSKOFEY-SJORKVTESA-N	1	0	271.791	4.137	40	0		CIABRO
[NH3+][C@H]1CC[C@@](c2ccccc2)(c2ccc(Cl)cc2)C1	ZINC000003601879	567853239	/nfs/dbraw/zinc/85/32/39/567853239.db2.gz	PBXXNPPLSKOFEY-DLBZAZTESA-N	1	0	271.791	4.137	40	0		CIABRO
CCC[C@H]1[C@H](O)C[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000004119593	567855460	/nfs/dbraw/zinc/85/54/60/567855460.db2.gz	YVHNHXUETQZHOA-MTQWCTHYSA-N	1	0	295.426	4.240	40	0		CIABRO
COc1ccccc1C[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccccc1	ZINC000004416765	567857537	/nfs/dbraw/zinc/85/75/37/567857537.db2.gz	PONLDUBUNPVSJT-VQIMIIECSA-N	1	0	295.426	4.463	40	0		CIABRO
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)on1	ZINC000019120258	567877297	/nfs/dbraw/zinc/87/72/97/567877297.db2.gz	FUXYRWYSRJHZGF-MRXNPFEDSA-N	1	0	288.366	4.239	40	0		CIABRO
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccc(F)cc2)on1	ZINC000019120255	567877569	/nfs/dbraw/zinc/87/75/69/567877569.db2.gz	FUXYRWYSRJHZGF-INIZCTEOSA-N	1	0	288.366	4.239	40	0		CIABRO
CCCc1cc([C@@H]2CCCCCN2Cc2ccncc2)no1	ZINC000019525413	567878190	/nfs/dbraw/zinc/87/81/90/567878190.db2.gz	YOIMJGBWLCBDEX-SFHVURJKSA-N	1	0	299.418	4.139	40	0		CIABRO
[NH3+][C@H](c1cccs1)c1ccc(Cl)c(Cl)c1	ZINC000019842111	567879170	/nfs/dbraw/zinc/87/91/70/567879170.db2.gz	IPWBAFUNRJAARV-NSHDSACASA-N	1	0	258.173	4.103	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cccnc1N[C@H](C)CC	ZINC000108368507	567881157	/nfs/dbraw/zinc/88/11/57/567881157.db2.gz	KEFNVNQXCGLYGE-ZBFHGGJFSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC	ZINC000072216965	567890729	/nfs/dbraw/zinc/89/07/29/567890729.db2.gz	RUEFCLJHZNJBLG-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1C	ZINC000072217925	567890922	/nfs/dbraw/zinc/89/09/22/567890922.db2.gz	JWZAATCXMVEBKG-AWEZNQCLSA-N	1	0	266.816	4.371	40	0		CIABRO
Cc1cc(Cl)ncc1[C@H]1CCCC[N@H+]1CC(C)C	ZINC000072217863	567890937	/nfs/dbraw/zinc/89/09/37/567890937.db2.gz	FZWGSUBQUXYYNP-CQSZACIVSA-N	1	0	266.816	4.226	40	0		CIABRO
Clc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072211488	567917860	/nfs/dbraw/zinc/91/78/60/567917860.db2.gz	FGLLZCHCONWYJZ-OAHLLOKOSA-N	1	0	272.779	4.072	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1OC(C)C	ZINC000072211984	567917959	/nfs/dbraw/zinc/91/79/59/567917959.db2.gz	QKJVEGGCSKISCN-INIZCTEOSA-N	1	0	276.424	4.196	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1OCc1ccccc1	ZINC000072212096	567918127	/nfs/dbraw/zinc/91/81/27/567918127.db2.gz	GPZHCHPMSUGOBY-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212140	567918183	/nfs/dbraw/zinc/91/81/83/567918183.db2.gz	WDXWWAITGXGHMT-QGZVFWFLSA-N	1	0	282.387	4.421	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1	ZINC000072212200	567918407	/nfs/dbraw/zinc/91/84/07/567918407.db2.gz	ZLWMRPBFVOQMDC-QGZVFWFLSA-N	1	0	282.387	4.421	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212021	567918471	/nfs/dbraw/zinc/91/84/71/567918471.db2.gz	HSHOMJRUZSEVSE-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCNc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072213184	567918490	/nfs/dbraw/zinc/91/84/90/567918490.db2.gz	SNEZCSNHHJPNNR-GOSISDBHSA-N	1	0	295.430	4.241	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213431	567918978	/nfs/dbraw/zinc/91/89/78/567918978.db2.gz	XOAVLONQJKSDTM-WBVHZDCISA-N	1	0	289.467	4.475	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1	ZINC000072214018	567919092	/nfs/dbraw/zinc/91/90/92/567919092.db2.gz	SREZSWRECUTNQX-KRWDZBQOSA-N	1	0	287.451	4.372	40	0		CIABRO
CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1CCC	ZINC000072213617	567919362	/nfs/dbraw/zinc/91/93/62/567919362.db2.gz	JAYLNVGHIBCCFX-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214259	567919801	/nfs/dbraw/zinc/91/98/01/567919801.db2.gz	NJRQKMAEYHGHND-GOSISDBHSA-N	1	0	295.430	4.396	40	0		CIABRO
C[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1	ZINC000072217227	567919932	/nfs/dbraw/zinc/91/99/32/567919932.db2.gz	QLARKBLXKUSQLO-HNNXBMFYSA-N	1	0	276.449	4.273	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1	ZINC000072217375	567919975	/nfs/dbraw/zinc/91/99/75/567919975.db2.gz	FYGJSTSEMXYKTO-ZDUSSCGKSA-N	1	0	264.438	4.129	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1	ZINC000072217616	567920202	/nfs/dbraw/zinc/92/02/02/567920202.db2.gz	DOZGVSSATDOBGF-INIZCTEOSA-N	1	0	284.428	4.390	40	0		CIABRO
Cc1nc(Cl)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072217889	567920226	/nfs/dbraw/zinc/92/02/26/567920226.db2.gz	OESPCCGEVKNVNS-INIZCTEOSA-N	1	0	286.806	4.381	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)C	ZINC000072217543	567920350	/nfs/dbraw/zinc/92/03/50/567920350.db2.gz	NLSHNIWLKQEJFO-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
Cc1nc(Cl)ccc1[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000072217922	567920379	/nfs/dbraw/zinc/92/03/79/567920379.db2.gz	RUPOSQHFZDVNDL-AWEZNQCLSA-N	1	0	266.816	4.226	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)cc1C	ZINC000072217864	567920455	/nfs/dbraw/zinc/92/04/55/567920455.db2.gz	HGSADHNGLJJJNR-CQSZACIVSA-N	1	0	266.816	4.371	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1	ZINC000072217592	567920488	/nfs/dbraw/zinc/92/04/88/567920488.db2.gz	SMGPIPIDCBEKMP-MRXNPFEDSA-N	1	0	284.428	4.390	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216047	567920511	/nfs/dbraw/zinc/92/05/11/567920511.db2.gz	IHFADALXACMOCC-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CC(C)Sc1ncccc1[C@@H]1CCC[N@@H+]1C(C)C	ZINC000072217541	567920617	/nfs/dbraw/zinc/92/06/17/567920617.db2.gz	ITLOSWPSFIAXBT-AWEZNQCLSA-N	1	0	264.438	4.127	40	0		CIABRO
Cc1[nH]c(=S)ccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072218370	567920912	/nfs/dbraw/zinc/92/09/12/567920912.db2.gz	IVXAMBVMSVBLFQ-MRXNPFEDSA-N	1	0	284.428	4.016	40	0		CIABRO
S=c1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1	ZINC000072217027	567920996	/nfs/dbraw/zinc/92/09/96/567920996.db2.gz	HBLQEZVCAIQIIW-MRXNPFEDSA-N	1	0	284.428	4.098	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(=S)[nH]c1C	ZINC000072218405	567921818	/nfs/dbraw/zinc/92/18/18/567921818.db2.gz	YSSPZGHKWXFHMR-AWEZNQCLSA-N	1	0	264.438	4.006	40	0		CIABRO
CCCN(CCC)c1ncc([C@H]([NH3+])c2ccccc2)cc1C	ZINC000072222258	567922117	/nfs/dbraw/zinc/92/21/17/567922117.db2.gz	XMLWPZJFOCEEPE-GOSISDBHSA-N	1	0	297.446	4.065	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cc(OC)ccc1OC	ZINC000072221889	567922245	/nfs/dbraw/zinc/92/22/45/567922245.db2.gz	JSTRJJLJMBCARG-MRXNPFEDSA-N	1	0	277.408	4.031	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cc(OC)ccc1OC	ZINC000072221890	567922287	/nfs/dbraw/zinc/92/22/87/567922287.db2.gz	JSTRJJLJMBCARG-INIZCTEOSA-N	1	0	277.408	4.031	40	0		CIABRO
CCCN(CCC)c1ccc([C@@H]([NH3+])c2ccccc2)c(C)n1	ZINC000072224340	567922598	/nfs/dbraw/zinc/92/25/98/567922598.db2.gz	PVSOVNHAYSNAFC-IBGZPJMESA-N	1	0	297.446	4.065	40	0		CIABRO
CC[C@H]([NH3+])c1cnc(SC2CCCCC2)cc1C	ZINC000072223844	567922761	/nfs/dbraw/zinc/92/27/61/567922761.db2.gz	SGTSIJXBQDKNLY-AWEZNQCLSA-N	1	0	264.438	4.225	40	0		CIABRO
CC1=CC[C@H]2[C@H](C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)C1	ZINC000000519698	567929910	/nfs/dbraw/zinc/92/99/10/567929910.db2.gz	GOVTWXUTTQVUJX-NJSLBKSFSA-N	1	0	278.399	4.053	40	0		CIABRO
[NH3+][C@@H]1C[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000070452975	567930682	/nfs/dbraw/zinc/93/06/82/567930682.db2.gz	KBQMGIIKQVQJOA-MWLCHTKSSA-N	1	0	268.143	4.068	40	0		CIABRO
C[C@H]1C(O)[C@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000001044341	567931753	/nfs/dbraw/zinc/93/17/53/567931753.db2.gz	TUHNPNHADQMPAJ-BOECGJLKSA-N	1	0	295.426	4.048	40	0		CIABRO
C[C@H]1[NH2+][C@H]2CC(C)(C)CC[C@@H]2c2c3ccccc3[nH]c21	ZINC000004023360	567938070	/nfs/dbraw/zinc/93/80/70/567938070.db2.gz	GAYOPOORDLRTFT-ZLDLUXBVSA-N	1	0	268.404	4.494	40	0		CIABRO
C1=C2[C@@H](CCC1)[C@@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@H]21	ZINC000012658120	567940538	/nfs/dbraw/zinc/94/05/38/567940538.db2.gz	ZLGSKKXUVINAIN-AKHDSKFASA-N	1	0	289.463	4.156	40	0		CIABRO
Clc1ccccc1C[NH2+]Cc1ccc2[nH]ccc2c1	ZINC000015424176	567944029	/nfs/dbraw/zinc/94/40/29/567944029.db2.gz	DEOAUASYXJNBSG-UHFFFAOYSA-N	1	0	270.763	4.111	40	0		CIABRO
Clc1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1	ZINC000015424183	567944067	/nfs/dbraw/zinc/94/40/67/567944067.db2.gz	DSWIOEGXNYCDAZ-UHFFFAOYSA-N	1	0	284.790	4.154	40	0		CIABRO
c1ccc(Oc2ccccc2OCC[NH+]2CCCCC2)cc1	ZINC000003613889	567945650	/nfs/dbraw/zinc/94/56/50/567945650.db2.gz	NEBDGPQFDFLLGT-UHFFFAOYSA-N	1	0	297.398	4.344	40	0		CIABRO
C[NH+](C)CCOc1ccccc1Oc1ccc(Cl)cc1	ZINC000003610765	567945731	/nfs/dbraw/zinc/94/57/31/567945731.db2.gz	LZADXLBJOWWFSD-UHFFFAOYSA-N	1	0	291.778	4.073	40	0		CIABRO
CC[NH2+][C@H](CC)c1ccc(OCc2ccccc2)c(OC)c1	ZINC000222636734	567948977	/nfs/dbraw/zinc/94/89/77/567948977.db2.gz	QFRUBFQOESPNMQ-QGZVFWFLSA-N	1	0	299.414	4.335	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1[C@@H](C)c1ccccc1	ZINC000223677683	567950348	/nfs/dbraw/zinc/95/03/48/567950348.db2.gz	MSXNQXDDOSRYRY-INIZCTEOSA-N	1	0	284.447	4.460	40	0		CIABRO
CCC[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C	ZINC000223663993	567950353	/nfs/dbraw/zinc/95/03/53/567950353.db2.gz	PYUVDHKFQQIAQR-UHFFFAOYSA-N	1	0	290.838	4.306	40	0		CIABRO
CCCCn1c(C)c(C[NH3+])c2cc(O[C@H](C)CC)ccc21	ZINC000223757794	567950742	/nfs/dbraw/zinc/95/07/42/567950742.db2.gz	BAJUIJRGIMTHFK-CYBMUJFWSA-N	1	0	288.435	4.386	40	0		CIABRO
CC[NH2+]Cc1c2cc(OC(C)C)ccc2n(C(C)C)c1C	ZINC000223763032	567950782	/nfs/dbraw/zinc/95/07/82/567950782.db2.gz	WFRSTKUNXRMRKQ-UHFFFAOYSA-N	1	0	288.435	4.427	40	0		CIABRO
CC(C)C[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1	ZINC000225164206	567952660	/nfs/dbraw/zinc/95/26/60/567952660.db2.gz	ZGYDDAXTPYHCKE-AWEZNQCLSA-N	1	0	261.409	4.315	40	0		CIABRO
CCn1c2ccccc2c2cc(NCCC[NH+](C)C)ccc21	ZINC000001872358	570384098	/nfs/dbraw/zinc/38/40/98/570384098.db2.gz	FESITOSQGDHYSA-UHFFFAOYSA-N	1	0	295.430	4.178	40	0		CIABRO
C[N+]1=C(/C=C/c2ccccc2O)C(C)(C)c2ccccc21	ZINC000004077505	230368690	/nfs/dbraw/zinc/36/86/90/230368690.db2.gz	ZJJDGZLNAPTSBE-UHFFFAOYSA-O	1	0	278.375	4.112	40	0		CIABRO
C[C@@H]([NH3+])[C@@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	ZINC000005276079	230369529	/nfs/dbraw/zinc/36/95/29/230369529.db2.gz	LFSRKKRTSWCPDC-FMJVSOFKSA-N	1	0	299.458	4.212	40	0		CIABRO
CC(C)(C)[NH2+]Cc1ccc(Br)c2ccccc12	ZINC000085391753	179048467	/nfs/dbraw/zinc/04/84/67/179048467.db2.gz	KMLXTPWHWQZFMQ-UHFFFAOYSA-N	1	0	292.220	4.490	40	0		CIABRO
C[C@H]1C(O)[C@H](C)[C@H](c2ccccc2)[NH+](C)[C@H]1c1ccccc1	ZINC000101840488	185759868	/nfs/dbraw/zinc/75/98/68/185759868.db2.gz	TUHNPNHADQMPAJ-OHDICMOHSA-N	1	0	295.426	4.048	40	0		CIABRO
CC[C@H](C)[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225169265	189744763	/nfs/dbraw/zinc/74/47/63/189744763.db2.gz	LHVCZHALPPOMRE-UONOGXRCSA-N	1	0	261.409	4.457	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1c[nH]c(=S)cc1C	ZINC000072218344	256708174	/nfs/dbraw/zinc/70/81/74/256708174.db2.gz	LWHDGMHVQFVJQJ-CQSZACIVSA-N	1	0	264.438	4.006	40	0		CIABRO
C[C@H]1CCCC[N@@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000004777541	170015469	/nfs/dbraw/zinc/01/54/69/170015469.db2.gz	UCRINIDIKIVONC-FFZOFVMBSA-N	1	0	295.426	4.336	40	0		CIABRO
CC(=O)[N+]1=C(c2ccccc2)C[C@@H](C=Cc2ccccc2)N1	ZINC000005003158	170053798	/nfs/dbraw/zinc/05/37/98/170053798.db2.gz	BOEVEZBGYSNUNV-VUDPSUQNSA-N	1	0	291.374	4.225	40	0		CIABRO
C(=C\c1cc[n+](CCc2ccccc2)cc1)\c1ccccc1	ZINC000005046166	170060577	/nfs/dbraw/zinc/06/05/77/170060577.db2.gz	AYNFBGTXKICEGT-QXMHVHEDSA-N	1	0	286.398	4.387	40	0		CIABRO
CCCCCCC(CCCCCC)[NH2+]C[C@@H](C)O	ZINC000005083050	170064803	/nfs/dbraw/zinc/06/48/03/170064803.db2.gz	OVSPSIYSEFMWIX-OAHLLOKOSA-N	1	0	257.462	4.266	40	0		CIABRO
CCCCn1c2ccccc2nc1CCC[NH+]1CCCCC1	ZINC000005235837	170078326	/nfs/dbraw/zinc/07/83/26/170078326.db2.gz	FLVARJFOIVIKSA-UHFFFAOYSA-N	1	0	299.462	4.255	40	0		CIABRO
CC[C@@H](C)CC1(C(=O)OCC[NH+](CC)CC)CCCCC1	ZINC000006411698	170199108	/nfs/dbraw/zinc/19/91/08/170199108.db2.gz	LKBBXGQZBJNDSV-MRXNPFEDSA-N	1	0	297.483	4.258	40	0		CIABRO
CC(=O)C[C@H](c1ccccc1)c1ccccc1[C@@H](C)[NH+](C)C	ZINC000006443415	170201850	/nfs/dbraw/zinc/20/18/50/170201850.db2.gz	OJRSDRGLDWIRSG-OXQOHEQNSA-N	1	0	295.426	4.420	40	0		CIABRO
COc1cccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)c1	ZINC000008534876	170339234	/nfs/dbraw/zinc/33/92/34/170339234.db2.gz	UDDSPURBOAWCBH-RRCMXIFQSA-N	1	0	299.458	4.390	40	0		CIABRO
c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1	ZINC000012088977	170468507	/nfs/dbraw/zinc/46/85/07/170468507.db2.gz	HLYAFYPWIRHLMP-ZRNYENFQSA-N	1	0	292.426	4.144	40	0		CIABRO
C[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	ZINC000020158610	171040246	/nfs/dbraw/zinc/04/02/46/171040246.db2.gz	OJAOVPJEOVWPQU-UHFFFAOYSA-N	1	0	289.684	4.338	40	0		CIABRO
CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1	ZINC000022076448	171352024	/nfs/dbraw/zinc/35/20/24/171352024.db2.gz	GEAMTARHPCKIDL-HNAYVOBHSA-N	1	0	283.415	4.022	40	0		CIABRO
CCc1ccc(/C(Cl)=C/C=[N+]2CCCCCC2)cc1	ZINC000035586080	172284761	/nfs/dbraw/zinc/28/47/61/172284761.db2.gz	ZKCQUNATBNIELI-BOPFTXTBSA-N	1	0	276.831	4.486	40	0		CIABRO
CC[NH+](CC)Cc1c2cccnc2[nH]c1C1CCCC1	ZINC000072393368	176394474	/nfs/dbraw/zinc/39/44/74/176394474.db2.gz	RGGRJUKDGSSCEQ-UHFFFAOYSA-N	1	0	271.408	4.062	40	0		CIABRO
CCCC[NH2+]Cc1cccn1Cc1ccccc1Cl	ZINC000035293099	260150831	/nfs/dbraw/zinc/15/08/31/260150831.db2.gz	XMTTYYOTDUWNOZ-UHFFFAOYSA-N	1	0	276.811	4.080	40	0		CIABRO
COc1ccc(CNc2cc(C)[nH+]c3ccccc23)cc1	ZINC000035206358	533705379	/nfs/dbraw/zinc/70/53/79/533705379.db2.gz	ZJEIJUNUALLJDU-UHFFFAOYSA-N	1	0	278.355	4.164	40	0		CIABRO
C[C@@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(C)O	ZINC000004368757	326811410	/nfs/dbraw/zinc/81/14/10/326811410.db2.gz	PPULLACTYCCYOK-GCTVEYNFSA-N	1	0	295.426	4.095	40	0		CIABRO
CC(C)Sc1ncccc1[C@H]1CCC[N@@H+]1C(C)C	ZINC000072217540	567920371	/nfs/dbraw/zinc/92/03/71/567920371.db2.gz	ITLOSWPSFIAXBT-CQSZACIVSA-N	1	0	264.438	4.127	40	0		CIABRO
C[C@H](C1=C(CC[NH+](C)C)Cc2ccccc21)c1ccccn1	ZINC000001482162	566979281	/nfs/dbraw/zinc/97/92/81/566979281.db2.gz	MVMQESMQSYOVGV-HNNXBMFYSA-N	1	0	292.426	4.147	40	0	world	CIABRO
Cc1cc(C)c2c(Nc3cccc(N)c3)cc[nH+]c2c1	ZINC000064875379	567110371	/nfs/dbraw/zinc/11/03/71/567110371.db2.gz	HACFWZQFWKMBAU-UHFFFAOYSA-N	1	0	263.344	4.177	40	0		CIABRO
[NH3+][C@H]1C[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000070452880	567117269	/nfs/dbraw/zinc/11/72/69/567117269.db2.gz	IRCAGZBVTLTZJK-KOLCDFICSA-N	1	0	268.143	4.068	40	0		CIABRO
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C[NH3+]	ZINC000019045782	567119141	/nfs/dbraw/zinc/11/91/41/567119141.db2.gz	DKZKAWFSTLHFAM-UHFFFAOYSA-N	1	0	285.174	4.231	40	0		CIABRO
CC[N@@H+]1CCC(=C(c2ccccc2)c2ccccc2)C1	ZINC000001482148	567837743	/nfs/dbraw/zinc/83/77/43/567837743.db2.gz	BJUHVJHOJBHLJS-UHFFFAOYSA-N	1	0	263.384	4.214	40	0	in-man	CIABRO
[NH3+]CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000001565052	567838053	/nfs/dbraw/zinc/83/80/53/567838053.db2.gz	DNITTWSXYHDGKU-UHFFFAOYSA-N	1	0	296.395	4.059	40	0	in-vitro	CIABRO
CCCCCC[C@](CC[NH+](C)C)(C(C)=O)c1ccccc1	ZINC000001593247	567838995	/nfs/dbraw/zinc/83/89/95/567838995.db2.gz	IJAOSALRDLLKDL-IBGZPJMESA-N	1	0	289.463	4.436	40	0		CIABRO
[NH3+][C@@H](Cc1ccccc1)c1ccc2cccc3c2c1CC3	ZINC000001595256	567839081	/nfs/dbraw/zinc/83/90/81/567839081.db2.gz	GMCGQHHOFOMUIL-IBGZPJMESA-N	1	0	273.379	4.181	40	0		CIABRO
c1ccc(C[C@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000001667637	567840771	/nfs/dbraw/zinc/84/07/71/567840771.db2.gz	JQWJJJYHVHNXJH-LJQANCHMSA-N	1	0	265.400	4.456	40	0	in-vitro	CIABRO
c1ccc(C(C[NH+]2CCCCC2)c2ccccc2)cc1	ZINC000001677190	567841067	/nfs/dbraw/zinc/84/10/67/567841067.db2.gz	XVSOZFTWUKQFRJ-UHFFFAOYSA-N	1	0	265.400	4.304	40	0		CIABRO
CC[NH+](CC)C[C@H](c1ccccc1)[C@@](C)(O)c1ccccc1	ZINC000001671258	567841102	/nfs/dbraw/zinc/84/11/02/567841102.db2.gz	GCIBOJXSMDTOSE-UXHICEINSA-N	1	0	297.442	4.020	40	0		CIABRO
CCCC[C@@](O)(c1ccccc1)c1ccccc1C[NH+](C)C	ZINC000001713605	567842429	/nfs/dbraw/zinc/84/24/29/567842429.db2.gz	SORQFNAWXRCGCG-HXUWFJFHSA-N	1	0	297.442	4.174	40	0		CIABRO
c1coc([C@@H](NC2=[NH+]CCCCCC2)c2ccccc2)c1	ZINC000001748926	567843295	/nfs/dbraw/zinc/84/32/95/567843295.db2.gz	WXTOVHCZRIAZPX-SFHVURJKSA-N	1	0	282.387	4.321	40	0		CIABRO
C[C@H]([NH3+])[C@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001848516	567843854	/nfs/dbraw/zinc/84/38/54/567843854.db2.gz	BJVISMPDLLIJQS-LRDDRELGSA-N	1	0	259.780	4.014	40	0		CIABRO
CC[NH+](CC)CCC[C@@H](C)Nc1ccc2ccccc2n1	ZINC000036858581	567861801	/nfs/dbraw/zinc/86/18/01/567861801.db2.gz	GEQQWZVVWXHOCJ-OAHLLOKOSA-N	1	0	285.435	4.157	40	0		CIABRO
Cc1cnccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1	ZINC000019239543	567877318	/nfs/dbraw/zinc/87/73/18/567877318.db2.gz	GAOIPVOSZLYRCS-MTQWCTHYSA-N	1	0	292.426	4.062	40	0		CIABRO
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccc2F)on1	ZINC000019120313	567877547	/nfs/dbraw/zinc/87/75/47/567877547.db2.gz	HMGKRVZJTZNNHZ-MRXNPFEDSA-N	1	0	288.366	4.239	40	0		CIABRO
c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1	ZINC000019373886	567877868	/nfs/dbraw/zinc/87/78/68/567877868.db2.gz	HHQIZBCPNJJMHI-MUGJNUQGSA-N	1	0	292.426	4.144	40	0		CIABRO
Cc1ccc([C@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1	ZINC000019968757	567880393	/nfs/dbraw/zinc/88/03/93/567880393.db2.gz	CAIRZEHPIUVCQJ-AWEZNQCLSA-N	1	0	265.278	4.062	40	0		CIABRO
NC(=[NH2+])c1cc(C(F)(F)F)ccc1Sc1ccccc1	ZINC000037334759	567905839	/nfs/dbraw/zinc/90/58/39/567905839.db2.gz	LSRYRCDDTCXKIJ-UHFFFAOYSA-N	1	0	296.317	4.141	40	0		CIABRO
Cc1ccnc(NCc2cccc(C(F)(F)F)c2)c1	ZINC000042244020	567906018	/nfs/dbraw/zinc/90/60/18/567906018.db2.gz	VKMDGFOKWUHTFH-UHFFFAOYSA-N	1	0	266.266	4.021	40	0		CIABRO
Clc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211440	567917550	/nfs/dbraw/zinc/91/75/50/567917550.db2.gz	LDRNRTMAYVABSO-OAHLLOKOSA-N	1	0	272.779	4.072	40	0		CIABRO
Cc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211315	567917600	/nfs/dbraw/zinc/91/76/00/567917600.db2.gz	LXCCIPDKAWASAR-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1Br	ZINC000072211633	567917604	/nfs/dbraw/zinc/91/76/04/567917604.db2.gz	ULJVKQQQSWCFOG-CYBMUJFWSA-N	1	0	297.240	4.171	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(Br)nc1	ZINC000072211576	567917844	/nfs/dbraw/zinc/91/78/44/567917844.db2.gz	IYSXPDKZUKCESM-ZDUSSCGKSA-N	1	0	297.240	4.027	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1	ZINC000072212957	567918034	/nfs/dbraw/zinc/91/80/34/567918034.db2.gz	WEHXKDSCQZRFBX-QGZVFWFLSA-N	1	0	289.467	4.252	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1OC(C)C	ZINC000072211981	567918152	/nfs/dbraw/zinc/91/81/52/567918152.db2.gz	MNGDQHLUIUDWTJ-MRXNPFEDSA-N	1	0	276.424	4.052	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212020	567918308	/nfs/dbraw/zinc/91/83/08/567918308.db2.gz	HSHOMJRUZSEVSE-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCNc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072213123	567918393	/nfs/dbraw/zinc/91/83/93/567918393.db2.gz	LXDPTKIROXUCKE-SFHVURJKSA-N	1	0	295.430	4.241	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1	ZINC000072212213	567918564	/nfs/dbraw/zinc/91/85/64/567918564.db2.gz	BXCIKVFGDZEWOY-MRXNPFEDSA-N	1	0	268.360	4.031	40	0		CIABRO
CCNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072213101	567918581	/nfs/dbraw/zinc/91/85/81/567918581.db2.gz	KVCACPNRMFIJOG-GOSISDBHSA-N	1	0	295.430	4.241	40	0		CIABRO
CCCCNc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1	ZINC000072213677	567918829	/nfs/dbraw/zinc/91/88/29/567918829.db2.gz	IFVRXLKGOFQHED-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1	ZINC000072213537	567918875	/nfs/dbraw/zinc/91/88/75/567918875.db2.gz	CZNBCILXWIZPGJ-GOEBONIOSA-N	1	0	275.440	4.229	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213979	567918952	/nfs/dbraw/zinc/91/89/52/567918952.db2.gz	VNAUPMAXMLUDKY-KRWDZBQOSA-N	1	0	287.451	4.372	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213541	567918995	/nfs/dbraw/zinc/91/89/95/567918995.db2.gz	VYSSJYMMUBITHO-GDBMZVCRSA-N	1	0	275.440	4.227	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213510	567919050	/nfs/dbraw/zinc/91/90/50/567919050.db2.gz	YMXKXDZFMYZWNM-HOCLYGCPSA-N	1	0	275.440	4.085	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C	ZINC000072213429	567919074	/nfs/dbraw/zinc/91/90/74/567919074.db2.gz	XDNGZZLWWCNZMK-GDBMZVCRSA-N	1	0	275.440	4.227	40	0		CIABRO
CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1	ZINC000072213676	567919095	/nfs/dbraw/zinc/91/90/95/567919095.db2.gz	IFVRXLKGOFQHED-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
CC(C)CNc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C	ZINC000072213275	567919111	/nfs/dbraw/zinc/91/91/11/567919111.db2.gz	HFNFZODUZLVOJX-MRXNPFEDSA-N	1	0	275.440	4.085	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1	ZINC000072213861	567919135	/nfs/dbraw/zinc/91/91/35/567919135.db2.gz	SMHOCCIDDJVLMV-KRWDZBQOSA-N	1	0	287.451	4.229	40	0		CIABRO
CCCCNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213681	567919178	/nfs/dbraw/zinc/91/91/78/567919178.db2.gz	WKPZWMOYZWNUCB-QGZVFWFLSA-N	1	0	289.467	4.477	40	0		CIABRO
c1cnc(SC2CCCCC2)c([C@H]2CCCC[NH2+]2)c1	ZINC000072217314	567919544	/nfs/dbraw/zinc/91/95/44/567919544.db2.gz	OWPPSJDQSKDEHA-OAHLLOKOSA-N	1	0	276.449	4.321	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214258	567919886	/nfs/dbraw/zinc/91/98/86/567919886.db2.gz	MPPVZYWWPMVMLD-SFHVURJKSA-N	1	0	295.430	4.395	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214199	567919907	/nfs/dbraw/zinc/91/99/07/567919907.db2.gz	YXVALJNULFRFEU-GOSISDBHSA-N	1	0	295.430	4.396	40	0		CIABRO
CN(c1ccccc1)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1	ZINC000072214213	567919983	/nfs/dbraw/zinc/91/99/83/567919983.db2.gz	LIYBASCCRFPHME-KRWDZBQOSA-N	1	0	281.403	4.006	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1	ZINC000072217593	567920272	/nfs/dbraw/zinc/92/02/72/567920272.db2.gz	SMGPIPIDCBEKMP-INIZCTEOSA-N	1	0	284.428	4.390	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1	ZINC000072216701	567920477	/nfs/dbraw/zinc/92/04/77/567920477.db2.gz	FSLPYNUPTDYUGR-QGZVFWFLSA-N	1	0	287.451	4.007	40	0		CIABRO
Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]c1=S	ZINC000072218287	567920887	/nfs/dbraw/zinc/92/08/87/567920887.db2.gz	VXJPPCHELVJYCR-QGZVFWFLSA-N	1	0	298.455	4.406	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1SC	ZINC000072216966	567921061	/nfs/dbraw/zinc/92/10/61/567921061.db2.gz	RUEFCLJHZNJBLG-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c[nH]c1=S	ZINC000072218249	567921070	/nfs/dbraw/zinc/92/10/70/567921070.db2.gz	RCCGEHJVOKVJCE-INIZCTEOSA-N	1	0	284.428	4.016	40	0		CIABRO
CSc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072216931	567921106	/nfs/dbraw/zinc/92/11/06/567921106.db2.gz	AECOYDDPEXOEGD-MRXNPFEDSA-N	1	0	284.428	4.141	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(SC)nc1	ZINC000072216906	567921322	/nfs/dbraw/zinc/92/13/22/567921322.db2.gz	NWGQQNIKQCZQPC-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
CCSc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072217204	567921332	/nfs/dbraw/zinc/92/13/32/567921332.db2.gz	KEXXQNNDVKZTPS-OAHLLOKOSA-N	1	0	278.465	4.377	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1	ZINC000072219570	567921644	/nfs/dbraw/zinc/92/16/44/567921644.db2.gz	GXSRHEXLSPEEAA-QGZVFWFLSA-N	1	0	254.377	4.028	40	0		CIABRO
C[NH2+][C@@H](Cc1ccccc1)c1ccc2c(c1)CCCC2	ZINC000001668766	567937464	/nfs/dbraw/zinc/93/74/64/567937464.db2.gz	GLWNFADUKHIXNU-IBGZPJMESA-N	1	0	265.400	4.069	40	0		CIABRO
Clc1ccc(C[NH2+]Cc2ccc3[nH]ccc3c2)cc1	ZINC000015424175	567944073	/nfs/dbraw/zinc/94/40/73/567944073.db2.gz	AVDWXIORHOWRMP-UHFFFAOYSA-N	1	0	270.763	4.111	40	0		CIABRO
CC(C)c1[nH]c2ncccc2c1C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000057467276	567948276	/nfs/dbraw/zinc/94/82/76/567948276.db2.gz	MBPAYKWAGVAOKS-KBPBESRZSA-N	1	0	285.435	4.164	40	0		CIABRO
CCCn1c(C)c(C[NH2+]CC)c2cc(OC(C)C)ccc21	ZINC000223762971	567950595	/nfs/dbraw/zinc/95/05/95/567950595.db2.gz	JLSUOGPTPJMGGZ-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCCn1c(C)c(C[NH2+]C)c2cc(OC(C)C)ccc21	ZINC000223759471	567950693	/nfs/dbraw/zinc/95/06/93/567950693.db2.gz	AREKDSIZMOXCTP-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CCOc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C(C)C	ZINC000223769312	567950781	/nfs/dbraw/zinc/95/07/81/567950781.db2.gz	FYNANLPDSCTROS-UHFFFAOYSA-N	1	0	288.435	4.427	40	0		CIABRO
c1ccc(-c2[nH]c3ccccc3c2C2=[NH+]CCC2)cc1	ZINC000225621931	567954477	/nfs/dbraw/zinc/95/44/77/567954477.db2.gz	HKKXKZSJHUZPCN-UHFFFAOYSA-N	1	0	260.340	4.418	40	0		CIABRO
C#[N+]c1c(Br)cc(C)cc1Br	ZINC000095698223	185017999	/nfs/dbraw/zinc/01/79/99/185017999.db2.gz	AOKOCZWUHBJDPJ-UHFFFAOYSA-N	1	0	274.943	4.071	40	0		CIABRO
Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccoc2)CC1	ZINC000096052540	185074197	/nfs/dbraw/zinc/07/41/97/185074197.db2.gz	PDWHNNJHOPWOIP-UHFFFAOYSA-N	1	0	281.399	4.068	40	0		CIABRO
Cc1cnccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072219539	256707731	/nfs/dbraw/zinc/70/77/31/256707731.db2.gz	WRUUONKMGNALDL-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCCN(CCCC)C(=[NH2+])c1ccnc2ccccc21	ZINC000001733632	169752238	/nfs/dbraw/zinc/75/22/38/169752238.db2.gz	SNJBVHBTEXTHRM-UHFFFAOYSA-N	1	0	283.419	4.462	40	0		CIABRO
CC1CCC(C2=CS[C@H]3CCCC[C@@H]3[NH2+]2)CC1	ZINC000001735529	169752787	/nfs/dbraw/zinc/75/27/87/169752787.db2.gz	OBARVIAJBZZFED-DVTFPSANSA-N	1	0	251.439	4.302	40	0		CIABRO
C[C@H]([NH3+])[C@@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001848514	169759474	/nfs/dbraw/zinc/75/94/74/169759474.db2.gz	BJVISMPDLLIJQS-BLLLJJGKSA-N	1	0	259.780	4.014	40	0		CIABRO
C[C@@H]1CCC[N@@H+]([C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1	ZINC000004783033	170016127	/nfs/dbraw/zinc/01/61/27/170016127.db2.gz	GNGCDJHXYUXKHS-LSTHTHJFSA-N	1	0	295.426	4.193	40	0		CIABRO
CC[NH+](CC)CCOc1ccc(C)cc1Cc1ccccc1	ZINC000005469606	170102474	/nfs/dbraw/zinc/10/24/74/170102474.db2.gz	RDEPQEPVFGVWCD-UHFFFAOYSA-N	1	0	297.442	4.306	40	0		CIABRO
CC[NH+](CC)CC[C@@H](O)c1ccc2c(c1)[nH]c1ccccc12	ZINC000005573002	170115011	/nfs/dbraw/zinc/11/50/11/170115011.db2.gz	KPILBBGMVXWUTJ-LJQANCHMSA-N	1	0	296.414	4.086	40	0		CIABRO
CC[C@@]12C=CC[N@@H+](C1)CCc1c3ccccc3[nH]c1/C=C\2	ZINC000006002484	170166969	/nfs/dbraw/zinc/16/69/69/170166969.db2.gz	MSGYVJRBNLKUPF-POGDKVGISA-N	1	0	278.399	4.005	40	0		CIABRO
C[NH2+][C@H](Cc1ccccc1)c1ccc(OC)c2ccccc21	ZINC000006481898	170205064	/nfs/dbraw/zinc/20/50/64/170205064.db2.gz	LYSYLZHEUWFRDS-LJQANCHMSA-N	1	0	291.394	4.352	40	0		CIABRO
C[NH2+][C@H](Cc1ccccc1)c1c(OC)ccc2ccccc21	ZINC000006481895	170205074	/nfs/dbraw/zinc/20/50/74/170205074.db2.gz	ZFPNFXWMHYYPDA-GOSISDBHSA-N	1	0	291.394	4.352	40	0		CIABRO
c1coc([C@H](NC2=[NH+]CCCCCC2)c2ccccc2)c1	ZINC000006582151	170215810	/nfs/dbraw/zinc/21/58/10/170215810.db2.gz	WXTOVHCZRIAZPX-GOSISDBHSA-N	1	0	282.387	4.321	40	0		CIABRO
Clc1ccc2nc(-c3cccc4ccccc43)cc[n+]2c1	ZINC000006864981	170251020	/nfs/dbraw/zinc/25/10/20/170251020.db2.gz	WFUGBOQCQLJQTR-UHFFFAOYSA-N	1	0	291.761	4.294	40	0		CIABRO
Cn1c2ccccc2c2c1[C@@H]1C[C@@H]3CCCC[C@@H]3C[N@@H+]1CC2	ZINC000008616448	170342853	/nfs/dbraw/zinc/34/28/53/170342853.db2.gz	SNMPZBCEJSLAEK-KHYOSLBOSA-N	1	0	294.442	4.288	40	0		CIABRO
[NH3+]Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1	ZINC000008732288	170351469	/nfs/dbraw/zinc/35/14/69/170351469.db2.gz	KKHLUPBWOLCMAV-UHFFFAOYSA-N	1	0	293.153	4.260	40	0		CIABRO
CCCCSc1ccc(NC(=[NH2+])N(CC)CC)cc1	ZINC000059497669	262389689	/nfs/dbraw/zinc/38/96/89/262389689.db2.gz	MQFSCNIMIUDOCS-UHFFFAOYSA-N	1	0	279.453	4.267	40	0		CIABRO
Oc1ccccc1/C=C/c1[o+]ccc2c1CCCC2	ZINC000025666319	327935618	/nfs/dbraw/zinc/93/56/18/327935618.db2.gz	IVROPHVIKAMADU-MDZDMXLPSA-O	1	0	253.321	4.316	40	0		CIABRO
C[C@@H]1[NH2+][C@@H]2CC(C)(C)CC[C@H]2c2c3ccccc3[nH]c21	ZINC000245231552	334185678	/nfs/dbraw/zinc/18/56/78/334185678.db2.gz	GAYOPOORDLRTFT-NJZAAPMLSA-N	1	0	268.404	4.494	40	0		CIABRO
COc1ccccc1C[N@H+](C)[C@H](C)Cc1ccc(C)cc1	ZINC000601032730	566996596	/nfs/dbraw/zinc/99/65/96/566996596.db2.gz	OPOYXGQXRAORRI-MRXNPFEDSA-N	1	0	283.415	4.067	40	0	in-vitro	CIABRO
CC(C)CC1CC(C[NH3+])(c2ccc(Br)cc2)C1	ZINC000685937702	567107019	/nfs/dbraw/zinc/10/70/19/567107019.db2.gz	PHEDPWOVNRAWPU-UHFFFAOYSA-N	1	0	296.252	4.102	40	0		CIABRO
CCCCCC[C@@H](C(=O)c1ccccc1)[NH+]1CCCC1	ZINC000096024593	567136970	/nfs/dbraw/zinc/13/69/70/567136970.db2.gz	RCGHPLZKUHDGCC-KRWDZBQOSA-N	1	0	273.420	4.304	40	0	in-vitro	CIABRO
C[N@@H+]1CC[C@H](CN2c3ccccc3Sc3ccccc32)C1	ZINC000000000480	567816574	/nfs/dbraw/zinc/81/65/74/567816574.db2.gz	HTMIBDQKFHUPSX-AWEZNQCLSA-N	1	0	296.439	4.241	40	0	world	CIABRO
CCC[N@@H+]1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1	ZINC000000005862	567816581	/nfs/dbraw/zinc/81/65/81/567816581.db2.gz	FOQRKFCLRMMKAT-UHFFFAOYSA-N	1	0	282.387	4.149	40	0	in-vitro	CIABRO
C[N@@H+]1CC[C@@H](CN2c3ccccc3Sc3ccccc32)C1	ZINC000000896683	567835063	/nfs/dbraw/zinc/83/50/63/567835063.db2.gz	HTMIBDQKFHUPSX-CQSZACIVSA-N	1	0	296.439	4.241	40	0	world	CIABRO
C[C@H]1c2ccccc2C[C@H](CC[NH+](C)C)c2ccccc21	ZINC000001579673	567838327	/nfs/dbraw/zinc/83/83/27/567838327.db2.gz	LYMOVRPSPQDFNQ-RDJZCZTQSA-N	1	0	279.427	4.430	40	0		CIABRO
CCC1(O)C[C@H](c2ccccc2)[N@H+](C)[C@H](c2ccccc2)C1	ZINC000001582014	567838616	/nfs/dbraw/zinc/83/86/16/567838616.db2.gz	IQHJPMRZLRSPJV-YOFSQIOKSA-N	1	0	295.426	4.336	40	0		CIABRO
c1ccc(C[C@@H]([C@@H]2CC=CCC2)[NH+]2CCCCC2)cc1	ZINC000001665307	567840579	/nfs/dbraw/zinc/84/05/79/567840579.db2.gz	JEKBYDQYZBCRGR-MOPGFXCFSA-N	1	0	269.432	4.440	40	0		CIABRO
CC[NH+](CC)C[C@H](O)c1cc2c(c3ccccc31)CCCC2	ZINC000001666854	567840584	/nfs/dbraw/zinc/84/05/84/567840584.db2.gz	SXDWPFDXGXVGEQ-FQEVSTJZSA-N	1	0	297.442	4.094	40	0		CIABRO
CCC[NH+](CCC)[C@H](C)[C@H](O)c1cccc2ccccc21	ZINC000001706359	567841958	/nfs/dbraw/zinc/84/19/58/567841958.db2.gz	CXMTVNQGSKMABJ-BEFAXECRSA-N	1	0	285.431	4.384	40	0		CIABRO
O=C(CC[NH2+]Cc1ccccc1)c1cccc2ccccc21	ZINC000001724402	567842494	/nfs/dbraw/zinc/84/24/94/567842494.db2.gz	PSDZIQGZCPRMAQ-UHFFFAOYSA-N	1	0	289.378	4.202	40	0		CIABRO
C[C@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000004119598	567855531	/nfs/dbraw/zinc/85/55/31/567855531.db2.gz	TUHNPNHADQMPAJ-AIVWAMIVSA-N	1	0	295.426	4.048	40	0		CIABRO
C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1	ZINC000013758857	567867392	/nfs/dbraw/zinc/86/73/92/567867392.db2.gz	QMLSZOCKIAJRPY-BXWFABGCSA-N	1	0	299.458	4.362	40	0		CIABRO
C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1ccccc1	ZINC000013758859	567867603	/nfs/dbraw/zinc/86/76/03/567867603.db2.gz	QMLSZOCKIAJRPY-TXPKVOOTSA-N	1	0	299.458	4.362	40	0		CIABRO
C[n+]1c(/C=C\c2ccc(Cl)cc2)ccc2ccccc21	ZINC000017145611	567874757	/nfs/dbraw/zinc/87/47/57/567874757.db2.gz	SJTQWZKOFBNYJK-WQLSENKSSA-N	1	0	280.778	4.488	40	0		CIABRO
CCN(CC)c1ccc(C(=[NH2+])c2ccc(N(C)C)cc2)cc1	ZINC000017289660	567875357	/nfs/dbraw/zinc/87/53/57/567875357.db2.gz	MKZLPHVNHDUESR-UHFFFAOYSA-N	1	0	295.430	4.015	40	0		CIABRO
CCCc1cc([C@H]2CCCCCN2Cc2ccncc2)no1	ZINC000019525414	567877731	/nfs/dbraw/zinc/87/77/31/567877731.db2.gz	YOIMJGBWLCBDEX-GOSISDBHSA-N	1	0	299.418	4.139	40	0		CIABRO
c1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1	ZINC000019373883	567878019	/nfs/dbraw/zinc/87/80/19/567878019.db2.gz	HHQIZBCPNJJMHI-YRPNKDGESA-N	1	0	292.426	4.144	40	0		CIABRO
CCCc1cc([C@@H]2CCCCCN2Cc2ccccn2)no1	ZINC000019525409	567878021	/nfs/dbraw/zinc/87/80/21/567878021.db2.gz	DFGIMGCVPQOLSR-SFHVURJKSA-N	1	0	299.418	4.139	40	0		CIABRO
CC(C)Oc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072211948	567917479	/nfs/dbraw/zinc/91/74/79/567917479.db2.gz	GPHLTJURSCHTEK-SFHVURJKSA-N	1	0	296.414	4.206	40	0		CIABRO
Cc1ccncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211421	567917685	/nfs/dbraw/zinc/91/76/85/567917685.db2.gz	NJYDLABZZSDAIH-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1	ZINC000072211468	567917714	/nfs/dbraw/zinc/91/77/14/567917714.db2.gz	NQMBOVPFONOINH-ZDUSSCGKSA-N	1	0	252.789	4.062	40	0		CIABRO
CCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213156	567917965	/nfs/dbraw/zinc/91/79/65/567917965.db2.gz	FTMWAILMGPXYPS-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(CC)CC)nc1	ZINC000072212860	567918211	/nfs/dbraw/zinc/91/82/11/567918211.db2.gz	QNCPJMUCFVCIJB-QGZVFWFLSA-N	1	0	289.467	4.255	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212153	567918338	/nfs/dbraw/zinc/91/83/38/567918338.db2.gz	WVSVUTHFYFSZRD-MRXNPFEDSA-N	1	0	268.360	4.031	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NCCC	ZINC000072213158	567918569	/nfs/dbraw/zinc/91/85/69/567918569.db2.gz	UYZGDBCKWJBGJT-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(NCCC)nc1	ZINC000072213219	567918664	/nfs/dbraw/zinc/91/86/64/567918664.db2.gz	XTSWGBZRUUDSBB-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1NC1CCCCC1	ZINC000072214020	567918753	/nfs/dbraw/zinc/91/87/53/567918753.db2.gz	LEGBOQHAXNJJNU-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)C)nc1	ZINC000072213320	567919055	/nfs/dbraw/zinc/91/90/55/567919055.db2.gz	YBBQYOFJTIWQIR-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CN(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@@H+]1C	ZINC000072214273	567919645	/nfs/dbraw/zinc/91/96/45/567919645.db2.gz	IUDDEPOESKFJEW-KRWDZBQOSA-N	1	0	281.403	4.006	40	0		CIABRO
CN(c1ccccc1)c1ccc([C@H]2CCCC[N@@H+]2C)cn1	ZINC000072214212	567919839	/nfs/dbraw/zinc/91/98/39/567919839.db2.gz	LIYBASCCRFPHME-QGZVFWFLSA-N	1	0	281.403	4.006	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCC1	ZINC000072216123	567920500	/nfs/dbraw/zinc/92/05/00/567920500.db2.gz	LXQLABSPZRMEFM-KRWDZBQOSA-N	1	0	287.451	4.007	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1SC(C)C	ZINC000072217545	567920599	/nfs/dbraw/zinc/92/05/99/567920599.db2.gz	FWNRCZVRIMEGJX-HNNXBMFYSA-N	1	0	278.465	4.375	40	0		CIABRO
CCSc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072217142	567921293	/nfs/dbraw/zinc/92/12/93/567921293.db2.gz	AAEGRUHPTFIWNR-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1	ZINC000072219585	567921493	/nfs/dbraw/zinc/92/14/93/567921493.db2.gz	LVKCVAIJSUIBGH-QGZVFWFLSA-N	1	0	254.377	4.170	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1	ZINC000072221755	567922043	/nfs/dbraw/zinc/92/20/43/567922043.db2.gz	CJHWZHNNAXWPOW-KRWDZBQOSA-N	1	0	256.393	4.351	40	0		CIABRO
CC[C@H]([NH3+])c1cnc(SCc2ccccc2)c(C)c1	ZINC000072222417	567922101	/nfs/dbraw/zinc/92/21/01/567922101.db2.gz	POZVQAAXPQOPRK-HNNXBMFYSA-N	1	0	272.417	4.092	40	0		CIABRO
c1csc([C@@H]2CCCC[N@H+]2Cc2ccccc2)c1	ZINC000072221661	567922168	/nfs/dbraw/zinc/92/21/68/567922168.db2.gz	QVBMPRVVMIPUNQ-HNNXBMFYSA-N	1	0	257.402	4.475	40	0		CIABRO
CC[C@H]([NH3+])c1ccc(SCc2ccccc2)nc1C	ZINC000072224498	567922583	/nfs/dbraw/zinc/92/25/83/567922583.db2.gz	AGFHLGOGYFBHTC-HNNXBMFYSA-N	1	0	272.417	4.092	40	0		CIABRO
CCC[n+]1ccc(-c2nc3ccc(Cl)cc3s2)cc1	ZINC000226776495	567929207	/nfs/dbraw/zinc/92/92/07/567929207.db2.gz	CDGMCOCFWUPOJY-UHFFFAOYSA-N	1	0	289.811	4.314	40	0		CIABRO
C[NH+](C)CC(C)(C)[C@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21	ZINC000012658006	567940425	/nfs/dbraw/zinc/94/04/25/567940425.db2.gz	HCPHZQAJVVJZLU-TVFCKZIOSA-N	1	0	291.479	4.258	40	0		CIABRO
Clc1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1	ZINC000015423507	567944063	/nfs/dbraw/zinc/94/40/63/567944063.db2.gz	CBAOMZJRPULNMB-UHFFFAOYSA-N	1	0	284.790	4.154	40	0		CIABRO
O=C(c1ccccc1)[C@H](c1ccccc1)[NH+]1CCCCC1	ZINC000057599094	567948427	/nfs/dbraw/zinc/94/84/27/567948427.db2.gz	YNLPWDOOECMWIQ-SFHVURJKSA-N	1	0	279.383	4.097	40	0		CIABRO
CCCC[NH2+]Cc1cccn1Cc1ccc(Cl)cc1	ZINC000223678977	567950457	/nfs/dbraw/zinc/95/04/57/567950457.db2.gz	KRRZPPUPAWBSOQ-UHFFFAOYSA-N	1	0	276.811	4.080	40	0		CIABRO
CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2C(C)C	ZINC000223760763	567950525	/nfs/dbraw/zinc/95/05/25/567950525.db2.gz	WLEIQOBCVDNFLT-CYBMUJFWSA-N	1	0	288.435	4.427	40	0		CIABRO
CCC[NH2+]Cc1c2cc(OC(C)C)ccc2n(CC)c1C	ZINC000223766574	567950526	/nfs/dbraw/zinc/95/05/26/567950526.db2.gz	PHRLLZMCTBAIBE-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCOc1ccc2c(c1)c(C[NH2+]CC)c(C)n2CCC	ZINC000223764061	567950678	/nfs/dbraw/zinc/95/06/78/567950678.db2.gz	RFKOVIMKQNEVNC-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CC[C@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2CC(C)C	ZINC000223757914	567950679	/nfs/dbraw/zinc/95/06/79/567950679.db2.gz	DWQAAFYVKULGJS-ZDUSSCGKSA-N	1	0	288.435	4.242	40	0		CIABRO
CC[C@@H](C)Oc1ccc2[nH]c(C)c(C[NH2+]C(C)C)c2c1	ZINC000223770496	567950714	/nfs/dbraw/zinc/95/07/14/567950714.db2.gz	GWFJZNFZOZAKTD-GFCCVEGCSA-N	1	0	274.408	4.152	40	0		CIABRO
CC[NH2+]Cc1c2cc(OCC)ccc2n(C(C)C)c1C	ZINC000223762529	567950828	/nfs/dbraw/zinc/95/08/28/567950828.db2.gz	ARUGKILPPZTYNI-UHFFFAOYSA-N	1	0	274.408	4.039	40	0		CIABRO
CCCC[NH2+][C@H](C)c1ccccc1OC1CCCC1	ZINC000225159040	567952535	/nfs/dbraw/zinc/95/25/35/567952535.db2.gz	JQEURZXLCWLJNT-CQSZACIVSA-N	1	0	261.409	4.459	40	0		CIABRO
Cc1ccc(C[NH2+][C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)s1	ZINC000061012259	567956151	/nfs/dbraw/zinc/95/61/51/567956151.db2.gz	PKKNCFQHEHWILZ-DUVNUKRYSA-N	1	0	263.450	4.361	40	0		CIABRO
CCCCn1c2ccc(Cl)cc2nc1CCCCC[NH3+]	ZINC000064874471	570393002	/nfs/dbraw/zinc/39/30/02/570393002.db2.gz	JEBDETJYPQUSAW-UHFFFAOYSA-N	1	0	293.842	4.161	40	0		CIABRO
[NH3+][C@@H](c1ccccc1)c1ccc(OCc2ccccc2)cc1	ZINC000090587175	180009659	/nfs/dbraw/zinc/00/96/59/180009659.db2.gz	HIAADRGSMSQTFX-FQEVSTJZSA-N	1	0	289.378	4.314	40	0		CIABRO
C[C@H]1CC2=C(C[C@@]1(C)[C@@]1(C)[NH2+]CCO1)C(C)(C)CCC2	ZINC000105689205	186067664	/nfs/dbraw/zinc/06/76/64/186067664.db2.gz	FQJQKNKQNJSHCA-VHSSKADRSA-N	1	0	277.452	4.265	40	0		CIABRO
CC(C)C[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225168733	189745218	/nfs/dbraw/zinc/74/52/18/189745218.db2.gz	UTYADQMXGXDKOO-CQSZACIVSA-N	1	0	261.409	4.315	40	0		CIABRO
CCC[n+]1cccc(-c2nc3ccc(Cl)cc3s2)c1	ZINC000226776692	189778594	/nfs/dbraw/zinc/77/85/94/189778594.db2.gz	WXLUEZRJEOMLCV-UHFFFAOYSA-N	1	0	289.811	4.314	40	0		CIABRO
C1=C([NH+]2CCOCC2)CCCCCCCCCC1	ZINC000256002867	190000957	/nfs/dbraw/zinc/00/09/57/190000957.db2.gz	SZTBSJOMNRSBGA-UHFFFAOYSA-N	1	0	251.414	4.117	40	0		CIABRO
C[NH2+][C@H]1CC[C@H](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000257320007	190033820	/nfs/dbraw/zinc/03/38/20/190033820.db2.gz	VUYKJEPFDLVLFR-MQMHXKEQSA-N	1	0	271.326	4.026	40	0		CIABRO
CCc1cc2ccccc2nc1SCC[NH+](CC)CC	ZINC000004929968	184532256	/nfs/dbraw/zinc/53/22/56/184532256.db2.gz	WRXJMFHTNYREBB-UHFFFAOYSA-N	1	0	288.460	4.231	40	0		CIABRO
Cc1nc(Nc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1	ZINC000072224366	256705000	/nfs/dbraw/zinc/70/50/00/256705000.db2.gz	FNRSONQNSSKJMZ-LJQANCHMSA-N	1	0	289.382	4.182	40	0		CIABRO
COc1ccccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072221486	256706358	/nfs/dbraw/zinc/70/63/58/256706358.db2.gz	BOGDFPZEQFFVQG-GOSISDBHSA-N	1	0	281.399	4.422	40	0		CIABRO
COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072221462	256706663	/nfs/dbraw/zinc/70/66/63/256706663.db2.gz	PBJVVTVIRQMMAK-KRWDZBQOSA-N	1	0	267.372	4.032	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216642	256710663	/nfs/dbraw/zinc/71/06/63/256710663.db2.gz	SJAVYSDQVZGFMU-KRWDZBQOSA-N	1	0	287.451	4.007	40	0		CIABRO
CCCNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213216	256713165	/nfs/dbraw/zinc/71/31/65/256713165.db2.gz	REAHHVAQKSALPV-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CCC[NH+](CCC)[C@H](C)[C@@H](O)c1cccc2ccccc21	ZINC000001706361	169746081	/nfs/dbraw/zinc/74/60/81/169746081.db2.gz	CXMTVNQGSKMABJ-DNVCBOLYSA-N	1	0	285.431	4.384	40	0		CIABRO
CC[n+]1c2c(nc3ccccc31)-c1cccc3cccc-2c13	ZINC000003074617	169853230	/nfs/dbraw/zinc/85/32/30/169853230.db2.gz	CFGRMPOKSQTBMN-UHFFFAOYSA-N	1	0	283.354	4.343	40	0		CIABRO
CN1Cc2ccccc2/C(=C\CC[NH+](C)C)c2ccccc21	ZINC000005011237	170055080	/nfs/dbraw/zinc/05/50/80/170055080.db2.gz	YFFIQHDMUUCCJP-LDADJPATSA-N	1	0	292.426	4.020	40	0		CIABRO
CC[NH+](CC)CCN(Cc1ccccc1)c1ccccc1	ZINC000005333435	170086676	/nfs/dbraw/zinc/08/66/76/170086676.db2.gz	BNYUCLFVYCVJAR-UHFFFAOYSA-N	1	0	282.431	4.035	40	0		CIABRO
C[C@H]1CC2=C(C[C@@]1(C)[C@]1(C)[NH2+]CCO1)C(C)(C)CCC2	ZINC000005533329	170109920	/nfs/dbraw/zinc/10/99/20/170109920.db2.gz	FQJQKNKQNJSHCA-MORSLUCNSA-N	1	0	277.452	4.265	40	0		CIABRO
COc1ccc(C2=C[C@H](c3ccccc3)SC(=[NH2+])N2)cc1	ZINC000005916921	170155433	/nfs/dbraw/zinc/15/54/33/170155433.db2.gz	AYITWDXVKBAWAO-MRXNPFEDSA-N	1	0	296.395	4.049	40	0		CIABRO
Cc1cccc(OC[C@H]([NH3+])c2cccc3ccccc32)c1	ZINC000021008650	171285370	/nfs/dbraw/zinc/28/53/70/171285370.db2.gz	POORJEFBOJKNTA-IBGZPJMESA-N	1	0	277.367	4.227	40	0		CIABRO
CCCC[NH2+]Cc1cccc(Oc2ccccc2)c1	ZINC000021010670	171286645	/nfs/dbraw/zinc/28/66/45/171286645.db2.gz	OVGDVVIXTLWDPY-UHFFFAOYSA-N	1	0	255.361	4.369	40	0		CIABRO
C[NH2+][C@@H](CC(C)C)C1(c2ccc(Cl)cc2)CCC1	ZINC000021981367	171344484	/nfs/dbraw/zinc/34/44/84/171344484.db2.gz	PLXKZKLXYHLWHR-HNNXBMFYSA-N	1	0	265.828	4.396	40	0	in-vitro	CIABRO
Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)s1	ZINC000034995698	171924507	/nfs/dbraw/zinc/92/45/07/171924507.db2.gz	PKKNCFQHEHWILZ-XPKDYRNWSA-N	1	0	263.450	4.361	40	0		CIABRO
CC(C)c1[nH]c2ncccc2c1C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000057467278	175596641	/nfs/dbraw/zinc/59/66/41/175596641.db2.gz	MBPAYKWAGVAOKS-ZIAGYGMSSA-N	1	0	285.435	4.164	40	0		CIABRO
C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1	ZINC000072357522	176376440	/nfs/dbraw/zinc/37/64/40/176376440.db2.gz	KGAHVZZLMUUGDR-KRWDZBQOSA-N	1	0	286.806	4.093	40	0		CIABRO
CC(C)Cc1ccccc1C[NH2+]Cc1ccc2[nH]cnc2c1	ZINC000527734868	330278643	/nfs/dbraw/zinc/27/86/43/330278643.db2.gz	VGHDMZMEYLSVKS-UHFFFAOYSA-N	1	0	293.414	4.051	40	0		CIABRO
c1ccc([C@@H]2C[N@@H+](C[C@H]3CCOC3)CC23CCCCC3)cc1	ZINC000247985755	334292852	/nfs/dbraw/zinc/29/28/52/334292852.db2.gz	ZGWSSYPZWUXYCD-MJGOQNOKSA-N	1	0	299.458	4.073	40	0		CIABRO
CC[C@@H]([NH3+])c1ccc(SC2CCCCC2)nc1C	ZINC000072224887	567922800	/nfs/dbraw/zinc/92/28/00/567922800.db2.gz	ZKSMSNSIFUDNIO-CQSZACIVSA-N	1	0	264.438	4.225	40	0		CIABRO
Cc1nc(Cl)ccc1[C@H]1CCCC[N@H+]1CC(C)C	ZINC000072217923	567920328	/nfs/dbraw/zinc/92/03/28/567920328.db2.gz	RUPOSQHFZDVNDL-CQSZACIVSA-N	1	0	266.816	4.226	40	0		CIABRO
Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)[NH+]1CCCC1	ZINC000000075282	566875252	/nfs/dbraw/zinc/87/52/52/566875252.db2.gz	WDLIKRFAOYEFOI-LJQANCHMSA-N	1	0	291.398	4.057	40	0		CIABRO
CCCC[NH2+][C@H](C)Cc1cccc(C(F)(F)F)c1	ZINC000033756047	567084230	/nfs/dbraw/zinc/08/42/30/567084230.db2.gz	VCYPVYLZISLFHR-LLVKDONJSA-N	1	0	259.315	4.026	40	0		CIABRO
Brc1ccc([C@H]2C[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000114565282	567112004	/nfs/dbraw/zinc/11/20/04/567112004.db2.gz	YOAAWXGZILTNEY-UKRRQHHQSA-N	1	0	294.236	4.039	40	0		CIABRO
Cc1ccc(OC[C@@H]([NH3+])c2cccc3ccccc32)cc1	ZINC000020008421	567126239	/nfs/dbraw/zinc/12/62/39/567126239.db2.gz	CNBZPYDFBUOWMW-LJQANCHMSA-N	1	0	277.367	4.227	40	0		CIABRO
C[NH+](C)CCCN1c2ccccc2[C@@H]2C[C@@H]2c2ccccc21	ZINC000001566281	567838123	/nfs/dbraw/zinc/83/81/23/567838123.db2.gz	VAYOMQGDMZZCNU-HDICACEKSA-N	1	0	292.426	4.361	40	0		CIABRO
C[C@H]1c2ccccc2C[C@@H](CC[NH+](C)C)c2ccccc21	ZINC000001579671	567838450	/nfs/dbraw/zinc/83/84/50/567838450.db2.gz	LYMOVRPSPQDFNQ-DOTOQJQBSA-N	1	0	279.427	4.430	40	0		CIABRO
CCC1(O)C[C@@H](c2ccccc2)[NH+](C)[C@H](c2ccccc2)C1	ZINC000001582015	567838689	/nfs/dbraw/zinc/83/86/89/567838689.db2.gz	IQHJPMRZLRSPJV-OALUTQOASA-N	1	0	295.426	4.336	40	0		CIABRO
CC1CC[NH+]([C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1	ZINC000001666024	567840780	/nfs/dbraw/zinc/84/07/80/567840780.db2.gz	CKMLQILTWMWZQS-PMACEKPBSA-N	1	0	295.426	4.193	40	0		CIABRO
CCCCCc1cc[n+](/C=C/c2ccccc2)cc1	ZINC000001668269	567840850	/nfs/dbraw/zinc/84/08/50/567840850.db2.gz	NULBECRRJWGSGJ-SDNWHVSQSA-N	1	0	252.381	4.335	40	0		CIABRO
CC(C)[NH+](CCOC(=O)Nc1cccc(Cl)c1)C(C)C	ZINC000001671725	567841142	/nfs/dbraw/zinc/84/11/42/567841142.db2.gz	MLBBYZCIDQWWGT-UHFFFAOYSA-N	1	0	298.814	4.007	40	0		CIABRO
C[C@@H](COc1ccc(/C=C/c2ccccc2)cc1)C[NH+](C)C	ZINC000001682237	567841382	/nfs/dbraw/zinc/84/13/82/567841382.db2.gz	FUIKNPYIDOJTAD-OAGJVSPASA-N	1	0	295.426	4.434	40	0		CIABRO
C[NH+](C)CCCOc1ccc(/C=C/c2ccccc2)cc1	ZINC000001692237	567841637	/nfs/dbraw/zinc/84/16/37/567841637.db2.gz	PCKSDEVYKAXSRH-MDZDMXLPSA-N	1	0	281.399	4.188	40	0		CIABRO
C[C@@H]([NH3+])[C@@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001848515	567843744	/nfs/dbraw/zinc/84/37/44/567843744.db2.gz	BJVISMPDLLIJQS-MLGOLLRUSA-N	1	0	259.780	4.014	40	0		CIABRO
Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236388	567862603	/nfs/dbraw/zinc/86/26/03/567862603.db2.gz	AOUQXIYVDUCXRX-QGZVFWFLSA-N	1	0	295.361	4.039	40	0		CIABRO
C[n+]1c(/C=C\c2ccccc2Cl)ccc2ccccc21	ZINC000017145609	567874931	/nfs/dbraw/zinc/87/49/31/567874931.db2.gz	DCDGMRPHKJYHLR-BENRWUELSA-N	1	0	280.778	4.488	40	0		CIABRO
[NH3+][C@H](c1cccs1)c1ccc(Cl)cc1Cl	ZINC000019842074	567879187	/nfs/dbraw/zinc/87/91/87/567879187.db2.gz	XYZWYYKCNFRYHD-NSHDSACASA-N	1	0	258.173	4.103	40	0		CIABRO
N=C1c2c(ccc3ccccc23)CN1c1ccc(F)cc1	ZINC000027491090	567883113	/nfs/dbraw/zinc/88/31/13/567883113.db2.gz	HEEKTNWXUAYEHQ-UHFFFAOYSA-N	1	0	276.314	4.324	40	0		CIABRO
CC(C)C[C@H]([NH3+])COc1ccccc1Oc1ccccc1	ZINC000585263888	567910217	/nfs/dbraw/zinc/91/02/17/567910217.db2.gz	BSMFPHAFYFTXBU-HNNXBMFYSA-N	1	0	285.387	4.231	40	0		CIABRO
Cc1ccnc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1	ZINC000072211211	567917435	/nfs/dbraw/zinc/91/74/35/567917435.db2.gz	WXJYBHIVMVBIPS-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
Cc1ccncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211422	567917514	/nfs/dbraw/zinc/91/75/14/567917514.db2.gz	NJYDLABZZSDAIH-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CC(C)Oc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072211949	567917880	/nfs/dbraw/zinc/91/78/80/567917880.db2.gz	GPHLTJURSCHTEK-GOSISDBHSA-N	1	0	296.414	4.206	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212154	567917995	/nfs/dbraw/zinc/91/79/95/567917995.db2.gz	WVSVUTHFYFSZRD-INIZCTEOSA-N	1	0	268.360	4.031	40	0		CIABRO
CC(C)N(c1ncccc1[C@@H]1CCC[N@@H+]1C(C)C)C(C)C	ZINC000072213016	567918069	/nfs/dbraw/zinc/91/80/69/567918069.db2.gz	OZDUASGTJAHWQZ-KRWDZBQOSA-N	1	0	289.467	4.250	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C	ZINC000072213033	567918091	/nfs/dbraw/zinc/91/80/91/567918091.db2.gz	FGAGBYAAZDWQCT-KRWDZBQOSA-N	1	0	289.467	4.252	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(CC)CC	ZINC000072212920	567918118	/nfs/dbraw/zinc/91/81/18/567918118.db2.gz	MIJDXJBCHQVLDY-QGZVFWFLSA-N	1	0	289.467	4.255	40	0		CIABRO
CC(C)N(c1ccc([C@H]2CCC[N@@H+]2C(C)C)cn1)C(C)C	ZINC000072212955	567918214	/nfs/dbraw/zinc/91/82/14/567918214.db2.gz	AMKHCYFEFFOASC-QGZVFWFLSA-N	1	0	289.467	4.250	40	0		CIABRO
CCNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072213100	567918390	/nfs/dbraw/zinc/91/83/90/567918390.db2.gz	KVCACPNRMFIJOG-SFHVURJKSA-N	1	0	295.430	4.241	40	0		CIABRO
CC(C)CNc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213334	567918792	/nfs/dbraw/zinc/91/87/92/567918792.db2.gz	QKEIIRWWIOOKPY-INIZCTEOSA-N	1	0	275.440	4.085	40	0		CIABRO
CCCCNc1ncccc1[C@H]1CCC[N@@H+]1CCCC	ZINC000072213604	567919003	/nfs/dbraw/zinc/91/90/03/567919003.db2.gz	LUNILNGTAWINIV-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1NCC(C)C	ZINC000072213259	567919013	/nfs/dbraw/zinc/91/90/13/567919013.db2.gz	YZJJVSGGTBAZQL-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213543	567919033	/nfs/dbraw/zinc/91/90/33/567919033.db2.gz	IOTUCYFNAHBCEW-WBVHZDCISA-N	1	0	289.467	4.475	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cccnc1NCC(C)C	ZINC000072213260	567919071	/nfs/dbraw/zinc/91/90/71/567919071.db2.gz	YZJJVSGGTBAZQL-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214200	567919502	/nfs/dbraw/zinc/91/95/02/567919502.db2.gz	YXVALJNULFRFEU-SFHVURJKSA-N	1	0	295.430	4.396	40	0		CIABRO
COc1cc(C)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072218042	567919889	/nfs/dbraw/zinc/91/98/89/567919889.db2.gz	SCVJYUKNNFNYAM-SFHVURJKSA-N	1	0	296.414	4.126	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214078	567919902	/nfs/dbraw/zinc/91/99/02/567919902.db2.gz	JWBCRZVEIUTDIM-KRWDZBQOSA-N	1	0	281.403	4.371	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCCC1	ZINC000072216718	567920134	/nfs/dbraw/zinc/92/01/34/567920134.db2.gz	AHVXIEUZGMEYNF-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216659	567920266	/nfs/dbraw/zinc/92/02/66/567920266.db2.gz	FVBIINVIYBUHJR-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216641	567920304	/nfs/dbraw/zinc/92/03/04/567920304.db2.gz	SJAVYSDQVZGFMU-QGZVFWFLSA-N	1	0	287.451	4.007	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cccnc1SCC	ZINC000072217187	567921306	/nfs/dbraw/zinc/92/13/06/567921306.db2.gz	NJZXMVRRLXXSBY-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
Cc1[nH]c(=S)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072218406	567921835	/nfs/dbraw/zinc/92/18/35/567921835.db2.gz	IIJBKSAZRZKKBM-KRWDZBQOSA-N	1	0	298.455	4.406	40	0		CIABRO
Cc1cc([C@H]([NH3+])c2ccccc2)cnc1Nc1ccccc1	ZINC000072222285	567922058	/nfs/dbraw/zinc/92/20/58/567922058.db2.gz	RWNMZUBTIRTPGP-GOSISDBHSA-N	1	0	289.382	4.182	40	0		CIABRO
CC[C@@H]([NH3+])c1cnc(SCc2ccccc2)cc1C	ZINC000072223457	567922499	/nfs/dbraw/zinc/92/24/99/567922499.db2.gz	PHHIHEXJUTYDTD-OAHLLOKOSA-N	1	0	272.417	4.092	40	0		CIABRO
Cc1nc(Oc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1	ZINC000072224208	567922547	/nfs/dbraw/zinc/92/25/47/567922547.db2.gz	RMBWYAYWOQQRLS-IBGZPJMESA-N	1	0	290.366	4.230	40	0		CIABRO
CCC[n+]1ccc(-c2nc3c(cc(C)cc3C)s2)cc1	ZINC000226773247	567929209	/nfs/dbraw/zinc/92/92/09/567929209.db2.gz	VRXQDLFUOZEDPB-UHFFFAOYSA-N	1	0	283.420	4.278	40	0		CIABRO
Cc1ccc2ccccc2c1NC(=O)C[NH2+]C1CCCCC1	ZINC000000411585	567930060	/nfs/dbraw/zinc/93/00/60/567930060.db2.gz	UEQQXOGLXHJXGE-UHFFFAOYSA-N	1	0	296.414	4.009	40	0		CIABRO
[NH3+][C@@H]1C[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000070452976	567930832	/nfs/dbraw/zinc/93/08/32/567930832.db2.gz	KBQMGIIKQVQJOA-GXSJLCMTSA-N	1	0	268.143	4.068	40	0		CIABRO
C[C@@H]1[NH2+][C@H]2CC(C)(C)CC[C@@H]2c2c3ccccc3[nH]c21	ZINC000004023361	567938098	/nfs/dbraw/zinc/93/80/98/567938098.db2.gz	GAYOPOORDLRTFT-WHOFXGATSA-N	1	0	268.404	4.494	40	0		CIABRO
Cc1c(Cl)cccc1-n1cccc1C[NH2+]CC(C)C	ZINC000223685630	567950291	/nfs/dbraw/zinc/95/02/91/567950291.db2.gz	YOUYMMWUYTVOAW-UHFFFAOYSA-N	1	0	276.811	4.185	40	0		CIABRO
CCC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(C)c1C	ZINC000223767525	567950588	/nfs/dbraw/zinc/95/05/88/567950588.db2.gz	YXMWWFAWFXEOFG-CYBMUJFWSA-N	1	0	288.435	4.164	40	0		CIABRO
CC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(CC)c1C	ZINC000223764546	567950683	/nfs/dbraw/zinc/95/06/83/567950683.db2.gz	ZWLJDRYTNZPLSJ-ZDUSSCGKSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(OC)ccc21	ZINC000223768930	567950807	/nfs/dbraw/zinc/95/08/07/567950807.db2.gz	BTVOHACUJAZRGY-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCC[NH2+]Cc1ccc(O[C@H](C)CC)c(OCC)c1	ZINC000225157236	567952460	/nfs/dbraw/zinc/95/24/60/567952460.db2.gz	PTZCKKRCOLEDNQ-CQSZACIVSA-N	1	0	279.424	4.152	40	0		CIABRO
Cc1ccccc1C[NH2+]Cc1ccc(Br)cc1	ZINC000032146168	570310613	/nfs/dbraw/zinc/31/06/13/570310613.db2.gz	KOMHUCOIPYMTTL-UHFFFAOYSA-N	1	0	290.204	4.047	40	0		CIABRO
Clc1ccc(SC[C@@H]2CCC[NH2+]C2)c(Cl)c1	ZINC000083297997	178380242	/nfs/dbraw/zinc/38/02/42/178380242.db2.gz	QOBQWJVMBRWZEA-SECBINFHSA-N	1	0	276.232	4.085	40	0		CIABRO
C#[N+]c1ccc(Br)c(C(F)(F)F)c1	ZINC000104899802	186030585	/nfs/dbraw/zinc/03/05/85/186030585.db2.gz	JBFAFVPAJDVQAD-UHFFFAOYSA-N	1	0	250.017	4.019	40	0		CIABRO
CCCC[NH2+]Cc1ccc(OC2CCCC2)c(OCC)c1	ZINC000225157114	189744425	/nfs/dbraw/zinc/74/44/25/189744425.db2.gz	FGFAPLNRKLHQHV-UHFFFAOYSA-N	1	0	291.435	4.296	40	0		CIABRO
CCOc1cc(C[NH2+][C@@H](C)CC)ccc1O[C@H](C)CC	ZINC000225157666	189744659	/nfs/dbraw/zinc/74/46/59/189744659.db2.gz	FRPOAVSNAXPKFB-UONOGXRCSA-N	1	0	279.424	4.151	40	0		CIABRO
COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1	ZINC000072221871	256705893	/nfs/dbraw/zinc/70/58/93/256705893.db2.gz	JJJPOTZLSNZTPB-SFHVURJKSA-N	1	0	297.398	4.041	40	0		CIABRO
CCCCNc1ccc([C@H]2CCC[N@@H+]2CCCC)cn1	ZINC000072213664	256712358	/nfs/dbraw/zinc/71/23/58/256712358.db2.gz	CLAHZYFBEFSTIP-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
CCc1cc2c3ccccc3[nH]c2c(C)c1CC[NH+](C)C	ZINC000001698212	169744424	/nfs/dbraw/zinc/74/44/24/169744424.db2.gz	QJRNSDNXXUWCDC-UHFFFAOYSA-N	1	0	280.415	4.296	40	0		CIABRO
COc1ccccc1C[C@H](C)[N@@H+]1CCC[C@@H]1c1ccccc1	ZINC000004416764	169966974	/nfs/dbraw/zinc/96/69/74/169966974.db2.gz	PONLDUBUNPVSJT-QFBILLFUSA-N	1	0	295.426	4.463	40	0		CIABRO
CC[NH+](CC)CCOc1c(C)cccc1Cc1ccccc1	ZINC000005469598	170102473	/nfs/dbraw/zinc/10/24/73/170102473.db2.gz	ULKZHKCOLURVIB-UHFFFAOYSA-N	1	0	297.442	4.306	40	0		CIABRO
ClC1=CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]2C1	ZINC000005648562	170124100	/nfs/dbraw/zinc/12/41/00/170124100.db2.gz	BWKWEYCCHXBCAS-GYOIFBIXSA-N	1	0	298.817	4.230	40	0		CIABRO
CCCC[NH2+][C@H](C(=O)c1ccccc1)c1ccccc1	ZINC000005973609	170164473	/nfs/dbraw/zinc/16/44/73/170164473.db2.gz	ZJVGIBQMAOGFQJ-KRWDZBQOSA-N	1	0	267.372	4.000	40	0		CIABRO
CCCCCC[C@@](CC[NH+](C)C)(C(C)=O)c1ccccc1	ZINC000005973153	170164491	/nfs/dbraw/zinc/16/44/91/170164491.db2.gz	IJAOSALRDLLKDL-LJQANCHMSA-N	1	0	289.463	4.436	40	0		CIABRO
CCCC[NH2+][C@@H](C(=O)c1ccc(OC)cc1)c1ccccc1	ZINC000005973619	170164502	/nfs/dbraw/zinc/16/45/02/170164502.db2.gz	IRLMHUSBSCPMLT-GOSISDBHSA-N	1	0	297.398	4.009	40	0		CIABRO
CCCCC[NH2+][C@H](Cc1ccccc1)c1ccc(O)cc1	ZINC000005973236	170164649	/nfs/dbraw/zinc/16/46/49/170164649.db2.gz	GEYBPNLMSSYMJW-LJQANCHMSA-N	1	0	283.415	4.456	40	0		CIABRO
CC[NH+](CC)C[C@@H](O)c1cc(Cl)cc(Cl)c1Cl	ZINC000006382469	170196762	/nfs/dbraw/zinc/19/67/62/170196762.db2.gz	RJFQHAKBDSHWTL-LLVKDONJSA-N	1	0	296.625	4.022	40	0		CIABRO
Cc1cccc(OC[C@@H]([NH3+])c2cccc3ccccc32)c1	ZINC000021008649	171285421	/nfs/dbraw/zinc/28/54/21/171285421.db2.gz	POORJEFBOJKNTA-LJQANCHMSA-N	1	0	277.367	4.227	40	0		CIABRO
Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1	ZINC000035446468	172203025	/nfs/dbraw/zinc/20/30/25/172203025.db2.gz	QRMYJEWQDHXKPM-INIZCTEOSA-N	1	0	292.382	4.126	40	0	biogenic,in-vitro	CIABRO
C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1	ZINC000072357519	176376463	/nfs/dbraw/zinc/37/64/63/176376463.db2.gz	PZOUCXRZSVBLJC-QGZVFWFLSA-N	1	0	286.806	4.093	40	0		CIABRO
C[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(C)O	ZINC000004368765	326811518	/nfs/dbraw/zinc/81/15/18/326811518.db2.gz	PPULLACTYCCYOK-OPMWNPIGSA-N	1	0	295.426	4.095	40	0		CIABRO
Cc1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1	ZINC000049168986	560084928	/nfs/dbraw/zinc/08/49/28/560084928.db2.gz	FYFSGUSCZXAUPG-INIZCTEOSA-N	1	0	297.446	4.241	40	0	biogenic,in-vitro	CIABRO
C[NH+](C)[C@@H](CC1CC1)C1(c2ccc(Cl)cc2)CCC1	ZINC000575411048	566932434	/nfs/dbraw/zinc/93/24/34/566932434.db2.gz	ZGXMCIFMBWGPEK-INIZCTEOSA-N	1	0	277.839	4.492	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)CC)nc1	ZINC000108368640	567103055	/nfs/dbraw/zinc/10/30/55/567103055.db2.gz	PCGQIUDEOIVOLH-GDBMZVCRSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N[C@H](C)CC	ZINC000108368504	567103936	/nfs/dbraw/zinc/10/39/36/567103936.db2.gz	KEFNVNQXCGLYGE-GDBMZVCRSA-N	1	0	275.440	4.229	40	0		CIABRO
Cc1cc(C)c2[nH+]ccc(Nc3cccc(N)c3)c2c1	ZINC000064875388	567110502	/nfs/dbraw/zinc/11/05/02/567110502.db2.gz	KOCDJDFKFDRPPH-UHFFFAOYSA-N	1	0	263.344	4.177	40	0		CIABRO
Clc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1Cl	ZINC000070209427	567115309	/nfs/dbraw/zinc/11/53/09/567115309.db2.gz	UOWYFERBGSCIER-OAHLLOKOSA-N	1	0	278.182	4.229	40	0		CIABRO
CC[NH+](CC)C[C@H](O)c1cc(Cl)cc(Cl)c1Cl	ZINC000001593662	567839072	/nfs/dbraw/zinc/83/90/72/567839072.db2.gz	RJFQHAKBDSHWTL-NSHDSACASA-N	1	0	296.625	4.022	40	0		CIABRO
Cc1ccccc1[C@H](c1ccccc1Cl)[NH+](C)C	ZINC000001664075	567840302	/nfs/dbraw/zinc/84/03/02/567840302.db2.gz	JTLHNSDTEDZNRQ-MRXNPFEDSA-N	1	0	259.780	4.299	40	0		CIABRO
c1ccc(C[C@@H]([C@H]2CC=CCC2)[NH+]2CCCCC2)cc1	ZINC000001665309	567840723	/nfs/dbraw/zinc/84/07/23/567840723.db2.gz	JEKBYDQYZBCRGR-OALUTQOASA-N	1	0	269.432	4.440	40	0		CIABRO
c1ccc(C[C@H]([C@H]2CC=CCC2)[NH+]2CCCCC2)cc1	ZINC000001665310	567840764	/nfs/dbraw/zinc/84/07/64/567840764.db2.gz	JEKBYDQYZBCRGR-RBUKOAKNSA-N	1	0	269.432	4.440	40	0		CIABRO
CCCC[NH2+][C@@H](C(=O)c1ccccc1)c1ccc(OC)cc1	ZINC000001667450	567840809	/nfs/dbraw/zinc/84/08/09/567840809.db2.gz	XGMUWTLTHSSFLB-GOSISDBHSA-N	1	0	297.398	4.009	40	0		CIABRO
CCCC[C@@H](C[NH+]1CCCCC1)C(=O)c1ccccc1	ZINC000001687269	567841379	/nfs/dbraw/zinc/84/13/79/567841379.db2.gz	VTNMRUFCVUYBPZ-KRWDZBQOSA-N	1	0	273.420	4.162	40	0		CIABRO
CCCCCC[C@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C	ZINC000001684138	567841479	/nfs/dbraw/zinc/84/14/79/567841479.db2.gz	FUPNNHAQSJTFJY-INIZCTEOSA-N	1	0	290.451	4.190	40	0		CIABRO
c1nc(CN2c3ccccc3Sc3ccccc32)c[nH]1	ZINC000001700060	567841825	/nfs/dbraw/zinc/84/18/25/567841825.db2.gz	GGPTZLMWFHUIJV-UHFFFAOYSA-N	1	0	279.368	4.213	40	0		CIABRO
CC[NH+](CC)Cc1cccc(C)c1OC(=O)c1ccccc1	ZINC000001688825	567841845	/nfs/dbraw/zinc/84/18/45/567841845.db2.gz	HOTGTTARNWRLKO-UHFFFAOYSA-N	1	0	297.398	4.056	40	0		CIABRO
CC[NH+](CC)CC[C@H](O)c1ccc(Cl)c2ccccc21	ZINC000001706345	567842050	/nfs/dbraw/zinc/84/20/50/567842050.db2.gz	ABPLSQULVRJDCI-KRWDZBQOSA-N	1	0	291.822	4.259	40	0		CIABRO
CC(=O)C[C@@H](c1ccccc1)c1ccccc1[C@H](C)[NH+](C)C	ZINC000017174573	567875149	/nfs/dbraw/zinc/87/51/49/567875149.db2.gz	OJRSDRGLDWIRSG-JXFKEZNVSA-N	1	0	295.426	4.420	40	0		CIABRO
C(\c1ccccc1)=C1/C[NH2+]C/C(=C/c2ccccc2)C1	ZINC000017380113	567875475	/nfs/dbraw/zinc/87/54/75/567875475.db2.gz	VJVSOFFOHNGRHQ-GDAWTGGTSA-N	1	0	261.368	4.147	40	0		CIABRO
CC(C)CN(CC(C)C)C[NH+](CC(C)C)CC(C)C	ZINC000019319192	567877412	/nfs/dbraw/zinc/87/74/12/567877412.db2.gz	RBXOVSOJLBCPQK-UHFFFAOYSA-N	1	0	270.505	4.172	40	0		CIABRO
c1csc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1	ZINC000019346919	567877288	/nfs/dbraw/zinc/87/72/88/567877288.db2.gz	WADJAZXPXOXIES-CQSZACIVSA-N	1	0	297.427	4.004	40	0		CIABRO
c1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cs1	ZINC000019346929	567877650	/nfs/dbraw/zinc/87/76/50/567877650.db2.gz	IEOHAPDABGITES-HNNXBMFYSA-N	1	0	297.427	4.004	40	0		CIABRO
[NH3+][C@H](c1cccs1)c1cc(Cl)cc(Cl)c1	ZINC000019841924	567879149	/nfs/dbraw/zinc/87/91/49/567879149.db2.gz	YVWJOJKDDDJIEN-NSHDSACASA-N	1	0	258.173	4.103	40	0		CIABRO
[NH3+]Cc1cccc(Oc2cc(Cl)cc(Cl)c2)c1	ZINC000069330601	567888648	/nfs/dbraw/zinc/88/86/48/567888648.db2.gz	AHPZRSMHPDZNEJ-UHFFFAOYSA-N	1	0	268.143	4.244	40	0		CIABRO
[NH3+]Cc1cccc(Oc2ccc(Cl)c(Cl)c2)c1	ZINC000069330694	567888672	/nfs/dbraw/zinc/88/86/72/567888672.db2.gz	UJZRJRIQCAPOJH-UHFFFAOYSA-N	1	0	268.143	4.244	40	0		CIABRO
c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)CC23CCCCC3)cc1	ZINC000036719491	567889790	/nfs/dbraw/zinc/88/97/90/567889790.db2.gz	ZGWSSYPZWUXYCD-HKUYNNGSSA-N	1	0	299.458	4.073	40	0		CIABRO
C[NH2+]CCC[C@H]1c2ccccc2CC(=O)c2ccccc21	ZINC000100071523	567912174	/nfs/dbraw/zinc/91/21/74/567912174.db2.gz	JJHKAPUZDMTRJA-INIZCTEOSA-N	1	0	279.383	4.188	40	0	in-vitro	CIABRO
C[NH2+]CCC[C@@H]1c2ccccc2CC(=O)c2ccccc21	ZINC000100071521	567912176	/nfs/dbraw/zinc/91/21/76/567912176.db2.gz	JJHKAPUZDMTRJA-MRXNPFEDSA-N	1	0	279.383	4.188	40	0	in-vitro	CIABRO
Clc1ccc(/[NH+]=c2/ccn3ccccc3c2)cc1Cl	ZINC000103285831	567915638	/nfs/dbraw/zinc/91/56/38/567915638.db2.gz	MTFYFZDTISVQRR-PDGQHHTCSA-N	1	0	289.165	4.479	40	0		CIABRO
CCOc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211805	567917473	/nfs/dbraw/zinc/91/74/73/567917473.db2.gz	CUDDBBQLJZJIOU-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1	ZINC000072211923	567917659	/nfs/dbraw/zinc/91/76/59/567917659.db2.gz	HFUQEFGUSGDLAN-MRXNPFEDSA-N	1	0	276.424	4.196	40	0		CIABRO
Clc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211441	567917668	/nfs/dbraw/zinc/91/76/68/567917668.db2.gz	LDRNRTMAYVABSO-HNNXBMFYSA-N	1	0	272.779	4.072	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(OC(C)C)nc1	ZINC000072211921	567917743	/nfs/dbraw/zinc/91/77/43/567917743.db2.gz	GPXRREBGIKYADD-MRXNPFEDSA-N	1	0	276.424	4.052	40	0		CIABRO
Cc1cccnc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072211157	567917856	/nfs/dbraw/zinc/91/78/56/567917856.db2.gz	UFBXYVJMTVIDNN-KRWDZBQOSA-N	1	0	266.388	4.117	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212019	567918124	/nfs/dbraw/zinc/91/81/24/567918124.db2.gz	XRRYPGFEBXTSIK-SFHVURJKSA-N	1	0	296.414	4.206	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C(C)C)C(C)C	ZINC000072213017	567918146	/nfs/dbraw/zinc/91/81/46/567918146.db2.gz	NNFOUIWOPFPSCK-QGZVFWFLSA-N	1	0	289.467	4.252	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1	ZINC000072212973	567918205	/nfs/dbraw/zinc/91/82/05/567918205.db2.gz	FXRCDDJNEHOWND-KRWDZBQOSA-N	1	0	289.467	4.252	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1cccnc1Oc1ccccc1	ZINC000072212190	567918483	/nfs/dbraw/zinc/91/84/83/567918483.db2.gz	IHSCRMUSJRTYHN-MRXNPFEDSA-N	1	0	268.360	4.031	40	0		CIABRO
CC(C)N(c1ncccc1[C@H]1CCC[N@@H+]1C(C)C)C(C)C	ZINC000072213015	567918651	/nfs/dbraw/zinc/91/86/51/567918651.db2.gz	OZDUASGTJAHWQZ-QGZVFWFLSA-N	1	0	289.467	4.250	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213539	567918947	/nfs/dbraw/zinc/91/89/47/567918947.db2.gz	VYSSJYMMUBITHO-ZBFHGGJFSA-N	1	0	275.440	4.227	40	0		CIABRO
CC(C)CNc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213277	567918963	/nfs/dbraw/zinc/91/89/63/567918963.db2.gz	DQESTAKVCUSYON-QGZVFWFLSA-N	1	0	289.467	4.333	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213544	567919098	/nfs/dbraw/zinc/91/90/98/567919098.db2.gz	IOTUCYFNAHBCEW-RDJZCZTQSA-N	1	0	289.467	4.475	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CC)nc1	ZINC000072213513	567919236	/nfs/dbraw/zinc/91/92/36/567919236.db2.gz	PCGQIUDEOIVOLH-GOEBONIOSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCC1	ZINC000072216006	567920171	/nfs/dbraw/zinc/92/01/71/567920171.db2.gz	NHMSDWSKTSUSMC-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1	ZINC000072216122	567920497	/nfs/dbraw/zinc/92/04/97/567920497.db2.gz	LXQLABSPZRMEFM-QGZVFWFLSA-N	1	0	287.451	4.007	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCC2)nc1	ZINC000072215947	567920509	/nfs/dbraw/zinc/92/05/09/567920509.db2.gz	MIFPATWHHGVZIT-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
Cc1cc([C@@H]2CCCC[N@H+]2CC(C)C)cnc1Cl	ZINC000072217802	567920724	/nfs/dbraw/zinc/92/07/24/567920724.db2.gz	MQOBRNQCYGZBCR-AWEZNQCLSA-N	1	0	266.816	4.226	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1	ZINC000072217652	567920811	/nfs/dbraw/zinc/92/08/11/567920811.db2.gz	BAFLNJKGULZFHF-MRXNPFEDSA-N	1	0	284.428	4.390	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCCCC1	ZINC000072216719	567920890	/nfs/dbraw/zinc/92/08/90/567920890.db2.gz	AHVXIEUZGMEYNF-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cccnc1SCC	ZINC000072217200	567921028	/nfs/dbraw/zinc/92/10/28/567921028.db2.gz	MKAOKWLLFAGYIS-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
Cc1[nH]c(=S)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072218407	567921934	/nfs/dbraw/zinc/92/19/34/567921934.db2.gz	IIJBKSAZRZKKBM-QGZVFWFLSA-N	1	0	298.455	4.406	40	0		CIABRO
Cc1cc(Nc2ccccc2)ncc1[C@H]([NH3+])c1ccccc1	ZINC000072223324	567922304	/nfs/dbraw/zinc/92/23/04/567922304.db2.gz	ADWPTKFGVUYJDY-LJQANCHMSA-N	1	0	289.382	4.182	40	0		CIABRO
Cc1nc(Nc2ccccc2)ccc1[C@@H]([NH3+])c1ccccc1	ZINC000072224367	567922745	/nfs/dbraw/zinc/92/27/45/567922745.db2.gz	FNRSONQNSSKJMZ-IBGZPJMESA-N	1	0	289.382	4.182	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3[C@@H]12	ZINC000000519143	567929782	/nfs/dbraw/zinc/92/97/82/567929782.db2.gz	XGOIUNFXMAIFSF-NJSLBKSFSA-N	1	0	278.399	4.053	40	0		CIABRO
O=C(CC[NH+]1CCCCC1)c1cc(Cl)ccc1Cl	ZINC000001737477	567937454	/nfs/dbraw/zinc/93/74/54/567937454.db2.gz	NDPGXEAWOPCODQ-UHFFFAOYSA-N	1	0	286.202	4.052	40	0		CIABRO
O=C(CC[NH+]1CCCCC1)c1ccc(-c2ccccc2)cc1	ZINC000004299946	567938092	/nfs/dbraw/zinc/93/80/92/567938092.db2.gz	CHFCUUGSOMFHED-UHFFFAOYSA-N	1	0	293.410	4.412	40	0		CIABRO
Clc1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1	ZINC000015423502	567943972	/nfs/dbraw/zinc/94/39/72/567943972.db2.gz	GWHWOCQBKMWDJS-UHFFFAOYSA-N	1	0	270.763	4.111	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1ccccc1C	ZINC000223662291	567950191	/nfs/dbraw/zinc/95/01/91/567950191.db2.gz	CROZUVDHFDBRJS-UHFFFAOYSA-N	1	0	284.447	4.207	40	0		CIABRO
CCCn1c(C)c(C[NH2+]C(C)C)c2cc(OCC)ccc21	ZINC000223769231	567950558	/nfs/dbraw/zinc/95/05/58/567950558.db2.gz	GVSWTXXXVDBWRJ-UHFFFAOYSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCn1c(C)c(C[NH2+]C)c2cc(O[C@@H](C)CC)ccc21	ZINC000223760609	567950791	/nfs/dbraw/zinc/95/07/91/567950791.db2.gz	HXXCBEFWLNIQLX-ZDUSSCGKSA-N	1	0	288.435	4.256	40	0		CIABRO
Cc1ccc(O)c([C@H](CC[NH2+]C(C)C)c2ccccc2)c1	ZINC000067665433	570216240	/nfs/dbraw/zinc/21/62/40/570216240.db2.gz	CPLYUIYTJCFQJD-QGZVFWFLSA-N	1	0	283.415	4.221	40	0	endogenous,world	CIABRO
C#[N+]c1ccc(Cl)cc1C(=O)c1ccccc1F	ZINC000095698039	185018523	/nfs/dbraw/zinc/01/85/23/185018523.db2.gz	OGGXYSVLBMLBMI-UHFFFAOYSA-N	1	0	259.667	4.261	40	0		CIABRO
CC[C@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225169175	189745116	/nfs/dbraw/zinc/74/51/16/189745116.db2.gz	LHVCZHALPPOMRE-KBPBESRZSA-N	1	0	261.409	4.457	40	0		CIABRO
c1c2ccccc2sc1C[N@@H+]1CCC[C@H]1c1ccncn1	ZINC000257223989	190014334	/nfs/dbraw/zinc/01/43/34/190014334.db2.gz	DZVKRRSBDWMKOX-INIZCTEOSA-N	1	0	295.411	4.028	40	0		CIABRO
c1c2ccccc2sc1C[N@@H+]1CCC[C@@H]1c1cnccn1	ZINC000257236353	190017458	/nfs/dbraw/zinc/01/74/58/190017458.db2.gz	HBTLBMQFKGGZLL-MRXNPFEDSA-N	1	0	295.411	4.028	40	0		CIABRO
CC(C)n1nccc1-c1cc([C@@H]2CCC[N@@H+]2C(C)C)ccn1	ZINC000257315265	190032647	/nfs/dbraw/zinc/03/26/47/190032647.db2.gz	VAOQBLLZMLIJIP-KRWDZBQOSA-N	1	0	298.434	4.071	40	0		CIABRO
COc1ccc(OC)c(Nc2cc(C)[nH+]c3ccccc23)c1	ZINC000000303309	169602895	/nfs/dbraw/zinc/60/28/95/169602895.db2.gz	XAFFCERJMHIDRK-UHFFFAOYSA-N	1	0	294.354	4.304	40	0		CIABRO
CC(C)n1cc(/C=C/c2cc[n+](C)cc2)c2ccccc21	ZINC000004932890	184532337	/nfs/dbraw/zinc/53/23/37/184532337.db2.gz	XMWQLZAVPFWPFM-UHFFFAOYSA-N	1	0	277.391	4.217	40	0		CIABRO
CC(C)(C)Sc1ccc([C@H]([NH3+])c2ccccc2)cn1	ZINC000072225752	256703527	/nfs/dbraw/zinc/70/35/27/256703527.db2.gz	FCBYMANJAYDLHQ-OAHLLOKOSA-N	1	0	272.417	4.020	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1	ZINC000072221754	256706589	/nfs/dbraw/zinc/70/65/89/256706589.db2.gz	CJHWZHNNAXWPOW-QGZVFWFLSA-N	1	0	256.393	4.351	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cnc2ccccc2c1	ZINC000072219572	256707141	/nfs/dbraw/zinc/70/71/41/256707141.db2.gz	GRQPEMKTUAJZNY-QGZVFWFLSA-N	1	0	254.377	4.172	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCCC1	ZINC000072216007	256711813	/nfs/dbraw/zinc/71/18/13/256711813.db2.gz	NHMSDWSKTSUSMC-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CCCC[NH+](CCCC)C[C@H](O)c1ccc(Cl)cc1	ZINC000001683554	169741020	/nfs/dbraw/zinc/74/10/20/169741020.db2.gz	CSQQESYTVYVDKW-INIZCTEOSA-N	1	0	283.843	4.276	40	0		CIABRO
CCC[C@H](O)c1ccccc1OCC[NH+](C(C)C)C(C)C	ZINC000002029398	169769508	/nfs/dbraw/zinc/76/95/08/169769508.db2.gz	DBQHPYODCJJUAP-KRWDZBQOSA-N	1	0	293.451	4.018	40	0	in-man	CIABRO
CCCC[NH+](CCCC)C[C@@H](O)CCCC(C)C	ZINC000002047109	169772578	/nfs/dbraw/zinc/77/25/78/169772578.db2.gz	KJGZSLGIMYUOJC-INIZCTEOSA-N	1	0	257.462	4.076	40	0		CIABRO
C[C@H]1CCC[N@@H+]([C@@H](c2ccccc2)[C@H](O)c2ccccc2)C1	ZINC000004783034	170016139	/nfs/dbraw/zinc/01/61/39/170016139.db2.gz	GNGCDJHXYUXKHS-FFZOFVMBSA-N	1	0	295.426	4.193	40	0		CIABRO
CC[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O	ZINC000004898909	170038130	/nfs/dbraw/zinc/03/81/30/170038130.db2.gz	HLZZWYXFUPJRKG-VNTMZGSJSA-N	1	0	295.426	4.240	40	0		CIABRO
CC[n+]1c(/C=C\c2cccc(O)c2)ccc2ccccc21	ZINC000004961999	170045585	/nfs/dbraw/zinc/04/55/85/170045585.db2.gz	SRENETZSZVOVFT-BENRWUELSA-O	1	0	276.359	4.023	40	0		CIABRO
CCCC[NH+](CCCC)[C@@H](C)[C@@H](O)c1ccccc1	ZINC000004975432	170047825	/nfs/dbraw/zinc/04/78/25/170047825.db2.gz	BRRGNOFUBFINSX-DOTOQJQBSA-N	1	0	263.425	4.011	40	0		CIABRO
C[n+]1ccc(/C=C/c2cccc(Oc3ccccc3)c2)cc1	ZINC000005002265	170053097	/nfs/dbraw/zinc/05/30/97/170053097.db2.gz	CWJZLJBDVPFZGG-ZHACJKMWSA-N	1	0	288.370	4.474	40	0		CIABRO
c1ccc([C@@H]2SC3=[NH+]CCCN3Cc3ccccc32)cc1	ZINC000005640722	170123205	/nfs/dbraw/zinc/12/32/05/170123205.db2.gz	LRAPXKZKQWVQCT-KRWDZBQOSA-N	1	0	294.423	4.085	40	0		CIABRO
C[NH2+][C@H](Cc1ccccc1)c1ccc2c(c1)CCCC2	ZINC000006481899	170204740	/nfs/dbraw/zinc/20/47/40/170204740.db2.gz	GLWNFADUKHIXNU-LJQANCHMSA-N	1	0	265.400	4.069	40	0		CIABRO
c1ccc(CO[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1	ZINC000006580219	170215151	/nfs/dbraw/zinc/21/51/51/170215151.db2.gz	UKXKDNNCANFLIW-FQEVSTJZSA-N	1	0	295.426	4.430	40	0		CIABRO
CCCCn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1	ZINC000007343617	170277766	/nfs/dbraw/zinc/27/77/66/170277766.db2.gz	MHCGTWPONJXVDM-HNNXBMFYSA-N	1	0	285.435	4.383	40	0		CIABRO
C1=C2[C@@H](CCC1)[C@H](C[NH+]1CCCCC1)O[C@H]1CCCC[C@H]21	ZINC000012658117	170503174	/nfs/dbraw/zinc/50/31/74/170503174.db2.gz	ZLGSKKXUVINAIN-YRXWBPOGSA-N	1	0	289.463	4.156	40	0		CIABRO
Cc1ccc2oc([C@H]3CC[N@H+](Cc4cccs4)C3)nc2c1	ZINC000035446513	172202757	/nfs/dbraw/zinc/20/27/57/172202757.db2.gz	BFTQBDXATNOSMK-ZDUSSCGKSA-N	1	0	298.411	4.187	40	0	biogenic,in-vitro	CIABRO
CC[C@@H](C)n1c2ccccc2nc1[C@H]([NH3+])CC(C)C	ZINC000040163863	174196698	/nfs/dbraw/zinc/19/66/98/174196698.db2.gz	RHKKHYGEYNKWKP-CHWSQXEVSA-N	1	0	259.397	4.053	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1	ZINC000072217482	567920672	/nfs/dbraw/zinc/92/06/72/567920672.db2.gz	TYWYDMINGSSBEU-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
CC(C)C[NH2+]Cc1cccc(Oc2ccccc2)c1	ZINC000000251576	566874969	/nfs/dbraw/zinc/87/49/69/566874969.db2.gz	CKNSVWAZMMVGKV-UHFFFAOYSA-N	1	0	255.361	4.225	40	0		CIABRO
CCC[C@H](C(=O)c1cccc2ccccc21)[NH+]1CCCC1	ZINC000035823448	566977232	/nfs/dbraw/zinc/97/72/32/566977232.db2.gz	PDYIKONOBSBEMS-GOSISDBHSA-N	1	0	281.399	4.287	40	0	in-vitro	CIABRO
[NH2+]=C1NC(c2ccccc2)=C[C@H](c2ccccc2)S1	ZINC000004408936	567019226	/nfs/dbraw/zinc/01/92/26/567019226.db2.gz	DECPAAQMLGSSCC-OAHLLOKOSA-N	1	0	266.369	4.040	40	0		CIABRO
CCCCCC[C@H](C(=O)c1ccccc1)[NH+]1CCCC1	ZINC000096024595	567136687	/nfs/dbraw/zinc/13/66/87/567136687.db2.gz	RCGHPLZKUHDGCC-QGZVFWFLSA-N	1	0	273.420	4.304	40	0	in-vitro	CIABRO
CC(C)[NH2+]CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000167791930	567212399	/nfs/dbraw/zinc/21/23/99/567212399.db2.gz	YIAJWTWHDZSOSY-UHFFFAOYSA-N	1	0	299.258	4.265	40	0		CIABRO
COc1ccc2[nH+]c(C)cc(Nc3ccc(F)cc3)c2c1	ZINC000000304264	567824736	/nfs/dbraw/zinc/82/47/36/567824736.db2.gz	DXCGHLSWEZHEIP-UHFFFAOYSA-N	1	0	282.318	4.435	40	0		CIABRO
CC(C)(C)[NH+](Cc1ccccc1)Cc1ccccc1	ZINC000001555737	567837898	/nfs/dbraw/zinc/83/78/98/567837898.db2.gz	PPFYOXKDKHANSL-UHFFFAOYSA-N	1	0	253.389	4.487	40	0		CIABRO
C[NH+](C)CCCN1c2ccccc2[C@@H]2C[C@H]2c2ccccc21	ZINC000001566283	567838074	/nfs/dbraw/zinc/83/80/74/567838074.db2.gz	VAYOMQGDMZZCNU-ROUUACIJSA-N	1	0	292.426	4.361	40	0		CIABRO
CCCC[NH2+][C@H](C(=O)c1ccc(OC)cc1)c1ccccc1	ZINC000001667052	567840566	/nfs/dbraw/zinc/84/05/66/567840566.db2.gz	IRLMHUSBSCPMLT-SFHVURJKSA-N	1	0	297.398	4.009	40	0		CIABRO
CCCc1c(CC)cc(CC)c[n+]1-c1ccccc1	ZINC000001667631	567840733	/nfs/dbraw/zinc/84/07/33/567840733.db2.gz	AUWBKRWKZALTPI-UHFFFAOYSA-N	1	0	254.397	4.041	40	0		CIABRO
CC[NH+](CC)C[C@@H](c1ccccc1)[C@](C)(O)c1ccccc1	ZINC000001671255	567841064	/nfs/dbraw/zinc/84/10/64/567841064.db2.gz	GCIBOJXSMDTOSE-VQTJNVASSA-N	1	0	297.442	4.020	40	0		CIABRO
CC(C)(C)[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000001701254	567842219	/nfs/dbraw/zinc/84/22/19/567842219.db2.gz	ZCTKIUWMGOTRNW-MSOLQXFVSA-N	1	0	293.410	4.341	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@H]3CCCC[C@H]3C[C@@H]12	ZINC000001716431	567842389	/nfs/dbraw/zinc/84/23/89/567842389.db2.gz	JUPDIHMJFPDGMY-IYOUNJFTSA-N	1	0	280.415	4.277	40	0		CIABRO
CC1CCC(C2=CS[C@H]3CCCC[C@H]3[NH2+]2)CC1	ZINC000001735528	567842909	/nfs/dbraw/zinc/84/29/09/567842909.db2.gz	OBARVIAJBZZFED-SJQFEJMWSA-N	1	0	251.439	4.302	40	0		CIABRO
O[C@H](C[NH+]1CCCCC1)c1ccc2oc3ccccc3c2c1	ZINC000002004266	567844040	/nfs/dbraw/zinc/84/40/40/567844040.db2.gz	UOGYBJACYJSPLK-QGZVFWFLSA-N	1	0	295.382	4.105	40	0		CIABRO
Cc1[nH+]c(NCc2ccccc2)c2ccccc2c1C	ZINC000225748125	567845565	/nfs/dbraw/zinc/84/55/65/567845565.db2.gz	UHZCDDPRCAWHAD-UHFFFAOYSA-N	1	0	262.356	4.464	40	0		CIABRO
Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@]2(C)C3(C)C)s1	ZINC000034995699	567852913	/nfs/dbraw/zinc/85/29/13/567852913.db2.gz	PKKNCFQHEHWILZ-INWMFGNUSA-N	1	0	263.450	4.361	40	0		CIABRO
CC[NH+](CC)C[C@H]1CCCCCCCCCCC1=O	ZINC000003593579	567853030	/nfs/dbraw/zinc/85/30/30/567853030.db2.gz	QRWPFCOKFVKQLA-MRXNPFEDSA-N	1	0	267.457	4.428	40	0		CIABRO
C[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2[C@H]3CC=CC[C@@H]3C[N@@H+]21	ZINC000004026705	567854911	/nfs/dbraw/zinc/85/49/11/567854911.db2.gz	PVBRJYQZDMXBMF-LJPSSGMGSA-N	1	0	278.399	4.052	40	0		CIABRO
C[N+]1=C(/C=C/c2ccccc2)C(C)(C)c2ccccc21	ZINC000016890058	567873883	/nfs/dbraw/zinc/87/38/83/567873883.db2.gz	NVJYNEMQOGAFIY-BUHFOSPRSA-N	1	0	262.376	4.406	40	0		CIABRO
C[C@@H](c1ccco1)[N@H+](C)Cc1cccc2ncccc12	ZINC000019459644	567877822	/nfs/dbraw/zinc/87/78/22/567877822.db2.gz	DOVXRGHDBAQQLF-ZDUSSCGKSA-N	1	0	266.344	4.021	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212155	567918327	/nfs/dbraw/zinc/91/83/27/567918327.db2.gz	VJGYTOGDAFOZAR-QGZVFWFLSA-N	1	0	282.387	4.421	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1	ZINC000072212079	567918358	/nfs/dbraw/zinc/91/83/58/567918358.db2.gz	IZEBXRYBBDDRNI-SFHVURJKSA-N	1	0	296.414	4.206	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212139	567918411	/nfs/dbraw/zinc/91/84/11/567918411.db2.gz	XICFXDKVDIWEQJ-KRWDZBQOSA-N	1	0	282.387	4.419	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1OCc1ccccc1	ZINC000072212080	567918622	/nfs/dbraw/zinc/91/86/22/567918622.db2.gz	UNLIHKPHSQPLAB-GOSISDBHSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCCNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213679	567918811	/nfs/dbraw/zinc/91/88/11/567918811.db2.gz	WWWOZXIEBMBIRP-MRXNPFEDSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213680	567919046	/nfs/dbraw/zinc/91/90/46/567919046.db2.gz	WKPZWMOYZWNUCB-KRWDZBQOSA-N	1	0	289.467	4.477	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N[C@@H](C)CC)nc1	ZINC000072213538	567919270	/nfs/dbraw/zinc/91/92/70/567919270.db2.gz	CZNBCILXWIZPGJ-HOCLYGCPSA-N	1	0	275.440	4.229	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C	ZINC000072213430	567919333	/nfs/dbraw/zinc/91/93/33/567919333.db2.gz	XDNGZZLWWCNZMK-GOEBONIOSA-N	1	0	275.440	4.227	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213961	567919367	/nfs/dbraw/zinc/91/93/67/567919367.db2.gz	XKDVVFYAQPOXHA-QGZVFWFLSA-N	1	0	287.451	4.229	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214189	567919593	/nfs/dbraw/zinc/91/95/93/567919593.db2.gz	YIRPIVPBPRSSLB-QGZVFWFLSA-N	1	0	281.403	4.006	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1Nc1ccccc1	ZINC000072214139	567919689	/nfs/dbraw/zinc/91/96/89/567919689.db2.gz	WGUVCXBIEFZINQ-QGZVFWFLSA-N	1	0	281.403	4.372	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1	ZINC000072214034	567919916	/nfs/dbraw/zinc/91/99/16/567919916.db2.gz	ZEQKWGGYHDFALS-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214198	567920044	/nfs/dbraw/zinc/92/00/44/567920044.db2.gz	BIXTWOLLPWDXTR-SFHVURJKSA-N	1	0	295.430	4.395	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216644	567920218	/nfs/dbraw/zinc/92/02/18/567920218.db2.gz	SLKBUCTXOSYSDX-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216658	567920427	/nfs/dbraw/zinc/92/04/27/567920427.db2.gz	FVBIINVIYBUHJR-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cnc(Cl)cc1C	ZINC000072217865	567920563	/nfs/dbraw/zinc/92/05/63/567920563.db2.gz	HGSADHNGLJJJNR-AWEZNQCLSA-N	1	0	266.816	4.371	40	0		CIABRO
Cc1cc(=S)[nH]cc1[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072218347	567921211	/nfs/dbraw/zinc/92/12/11/567921211.db2.gz	OAMTTXGCYQVMJY-QGZVFWFLSA-N	1	0	298.455	4.406	40	0		CIABRO
CCSc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072217143	567921274	/nfs/dbraw/zinc/92/12/74/567921274.db2.gz	FLSVRPJPWFVNPC-HNNXBMFYSA-N	1	0	278.465	4.377	40	0		CIABRO
CCSc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072217141	567921360	/nfs/dbraw/zinc/92/13/60/567921360.db2.gz	AAEGRUHPTFIWNR-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(SCC)nc1	ZINC000072217140	567921420	/nfs/dbraw/zinc/92/14/20/567921420.db2.gz	YEBIMRSTZKJZLH-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1	ZINC000072221809	567922088	/nfs/dbraw/zinc/92/20/88/567922088.db2.gz	MVSGLSMPZAYWKB-GOSISDBHSA-N	1	0	268.404	4.418	40	0		CIABRO
COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072221463	567922121	/nfs/dbraw/zinc/92/21/21/567922121.db2.gz	PBJVVTVIRQMMAK-QGZVFWFLSA-N	1	0	267.372	4.032	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1c(OC)cccc1OC	ZINC000072221443	567922414	/nfs/dbraw/zinc/92/24/14/567922414.db2.gz	OSAIJRWAJJCLEH-AWEZNQCLSA-N	1	0	277.408	4.031	40	0		CIABRO
Cc1nc(SC(C)(C)C)ccc1[C@H]([NH3+])c1ccccc1	ZINC000072224914	567922483	/nfs/dbraw/zinc/92/24/83/567922483.db2.gz	SRTSHBSZGUYULV-MRXNPFEDSA-N	1	0	286.444	4.329	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1	ZINC000113704134	567926083	/nfs/dbraw/zinc/92/60/83/567926083.db2.gz	VLEFWKDOKRFAJW-UHFFFAOYSA-N	1	0	262.784	4.020	40	0		CIABRO
CC[NH+](CC)CCSc1nc2cc(C)ccc2cc1C	ZINC000004929941	567932850	/nfs/dbraw/zinc/93/28/50/567932850.db2.gz	FNYPUHMDEPUNPI-UHFFFAOYSA-N	1	0	288.460	4.286	40	0		CIABRO
CC[NH+](CC)CCSc1nc2c(C)cccc2cc1C	ZINC000004929936	567932948	/nfs/dbraw/zinc/93/29/48/567932948.db2.gz	OUVNBAOIGDAIES-UHFFFAOYSA-N	1	0	288.460	4.286	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1[C@H](C)c1ccccc1	ZINC000223677738	567950355	/nfs/dbraw/zinc/95/03/55/567950355.db2.gz	MSXNQXDDOSRYRY-MRXNPFEDSA-N	1	0	284.447	4.460	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1ccc(C)cc1	ZINC000223663511	567950445	/nfs/dbraw/zinc/95/04/45/567950445.db2.gz	HGWPYFSVKZXDOF-UHFFFAOYSA-N	1	0	284.447	4.207	40	0		CIABRO
COc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C(C)C	ZINC000223768873	567950562	/nfs/dbraw/zinc/95/05/62/567950562.db2.gz	DYPOOLVARWKRRU-UHFFFAOYSA-N	1	0	274.408	4.037	40	0		CIABRO
CCCCOc1ccc(C[NH2+][C@H](C)CC)cc1OCC	ZINC000225157350	567952321	/nfs/dbraw/zinc/95/23/21/567952321.db2.gz	MXRBOUIMCNYJIP-CQSZACIVSA-N	1	0	279.424	4.152	40	0		CIABRO
CC[C@H](C)[NH2+][C@@H](C)c1ccccc1OC1CCCC1	ZINC000225160034	567952427	/nfs/dbraw/zinc/95/24/27/567952427.db2.gz	PGIZRHHLWFSQAS-KBPBESRZSA-N	1	0	261.409	4.457	40	0		CIABRO
CCCC[NH2+][C@H](C)c1cccc(OC2CCCC2)c1	ZINC000225163670	567952480	/nfs/dbraw/zinc/95/24/80/567952480.db2.gz	HMQVONLZXNUUJF-CQSZACIVSA-N	1	0	261.409	4.459	40	0		CIABRO
CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OC1CCCC1	ZINC000225157403	567952508	/nfs/dbraw/zinc/95/25/08/567952508.db2.gz	FIICZIQQGSZQSZ-AWEZNQCLSA-N	1	0	291.435	4.295	40	0		CIABRO
CC[NH+](CC)CCCNc1cccc2nc(Cl)ccc21	ZINC000001873618	570214518	/nfs/dbraw/zinc/21/45/18/570214518.db2.gz	UELOYEJQZHOYFU-UHFFFAOYSA-N	1	0	291.826	4.032	40	0		CIABRO
C[N@@H+]1CCC[C@@H]1CCOc1ccccc1Oc1ccccc1	ZINC000585266233	570256802	/nfs/dbraw/zinc/25/68/02/570256802.db2.gz	RMNUCPDFOSZXBW-MRXNPFEDSA-N	1	0	297.398	4.342	40	0		CIABRO
C[C@H]1CCCN(c2c3ccccc3[nH+]c3c2CCCC3)C1	ZINC000005022733	570267695	/nfs/dbraw/zinc/26/76/95/570267695.db2.gz	MXJGARSROPGHIM-AWEZNQCLSA-N	1	0	280.415	4.350	40	0		CIABRO
[NH3+][C@H](c1ccccc1)c1ccc(Cl)cc1Cl	ZINC000019804005	570335318	/nfs/dbraw/zinc/33/53/18/570335318.db2.gz	WAUHYSYCFRQOFK-CYBMUJFWSA-N	1	0	252.144	4.042	40	0		CIABRO
C[C@H]([NH3+])[C@H]1CC[C@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	ZINC000005275292	230369493	/nfs/dbraw/zinc/36/94/93/230369493.db2.gz	LFSRKKRTSWCPDC-MCMPHILUSA-N	1	0	299.458	4.212	40	0		CIABRO
CC(C)C[NH2+][C@H](C)c1ccccc1OC1CCCC1	ZINC000225159340	189744435	/nfs/dbraw/zinc/74/44/35/189744435.db2.gz	DSMSHQUUTMACJA-CQSZACIVSA-N	1	0	261.409	4.315	40	0		CIABRO
CC(C)c1[nH+]c2ccccn2c1NC1CCCCC1	ZINC000000319833	169607685	/nfs/dbraw/zinc/60/76/85/169607685.db2.gz	YNRUIOVNDGBVOP-UHFFFAOYSA-N	1	0	257.381	4.202	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1	ZINC000072221791	256706592	/nfs/dbraw/zinc/70/65/92/256706592.db2.gz	DXBJCACWQJSISS-KRWDZBQOSA-N	1	0	254.377	4.028	40	0		CIABRO
CC(C)C[C@@H]([NH3+])C1(c2ccc(Cl)cc2)CCC1	ZINC000002524888	169802233	/nfs/dbraw/zinc/80/22/33/169802233.db2.gz	WQSACWZKKZPCHN-CQSZACIVSA-N	1	0	251.801	4.135	40	0	in-vitro	CIABRO
Cc1cc2ccccc2nc1SCC[NH+]1CCCCC1	ZINC000004858630	170031504	/nfs/dbraw/zinc/03/15/04/170031504.db2.gz	IPOIFWXGOUMMMA-UHFFFAOYSA-N	1	0	286.444	4.121	40	0		CIABRO
Cc1ccc2cc(C)c(SCC[NH+]3CCCC3)nc2c1	ZINC000004858635	170031578	/nfs/dbraw/zinc/03/15/78/170031578.db2.gz	MSQXSEWFYSHMGZ-UHFFFAOYSA-N	1	0	286.444	4.040	40	0		CIABRO
C[NH+](C)CC[C@@]12CCCC[C@@H]1CCc1ccccc12	ZINC000004900907	170038496	/nfs/dbraw/zinc/03/84/96/170038496.db2.gz	OUYMNJSATUVSSG-AEFFLSMTSA-N	1	0	257.421	4.013	40	0		CIABRO
O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc(Cl)cc1	ZINC000004934798	170042163	/nfs/dbraw/zinc/04/21/63/170042163.db2.gz	YPHYXDGRYXETJL-KBPBESRZSA-N	1	0	291.822	4.035	40	0		CIABRO
CCCC[NH+](CCCC)[C@H](C)[C@H](O)c1ccccc1	ZINC000004975431	170047716	/nfs/dbraw/zinc/04/77/16/170047716.db2.gz	BRRGNOFUBFINSX-WBVHZDCISA-N	1	0	263.425	4.011	40	0		CIABRO
C[N@@H+]1C=C[C@@H]2c3ccccc3[C@H](c3ccccc3)C2=C1	ZINC000005535418	170109922	/nfs/dbraw/zinc/10/99/22/170109922.db2.gz	RTYBSLQCSAMKSQ-APWZRJJASA-N	1	0	259.352	4.259	40	0		CIABRO
C[C@H]1CC2=C(C[C@]1(C)[C@]1(C)[NH2+]CCO1)C(C)(C)CCC2	ZINC000005533342	170110124	/nfs/dbraw/zinc/11/01/24/170110124.db2.gz	FQJQKNKQNJSHCA-DOPJRALCSA-N	1	0	277.452	4.265	40	0		CIABRO
CC(=O)[C@](CC[NH+](C)C)(c1ccccc1)C1CCCCC1	ZINC000005883869	170149878	/nfs/dbraw/zinc/14/98/78/170149878.db2.gz	OZVIMGCKCYUQDB-LJQANCHMSA-N	1	0	287.447	4.045	40	0		CIABRO
C[NH2+][C@H](Cc1ccccc1)c1cccc2ccccc21	ZINC000006481903	170205020	/nfs/dbraw/zinc/20/50/20/170205020.db2.gz	SUXCUUNBRCDDOV-LJQANCHMSA-N	1	0	261.368	4.343	40	0		CIABRO
CC1=CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@H]2C1	ZINC000006493268	170206738	/nfs/dbraw/zinc/20/67/38/170206738.db2.gz	KQDDHWGHKMLCGS-AXHNFQJDSA-N	1	0	278.399	4.053	40	0		CIABRO
O[C@H](CC[NH2+]Cc1ccccc1)c1ccc2ccccc2c1	ZINC000006580049	170215129	/nfs/dbraw/zinc/21/51/29/170215129.db2.gz	OADCVBKJWZYKEE-HXUWFJFHSA-N	1	0	291.394	4.053	40	0		CIABRO
C[C@H]([NH2+]Cc1ccsc1)C12CC3CC(CC(C3)C1)C2	ZINC000007524956	170288924	/nfs/dbraw/zinc/28/89/24/170288924.db2.gz	SEBYFXRWYKLXEU-NICGVCSZSA-N	1	0	275.461	4.443	40	0		CIABRO
Cc1ccc(C[NH2+]C/C=C/c2ccc(Cl)cc2)cc1	ZINC000007541292	170290171	/nfs/dbraw/zinc/29/01/71/170290171.db2.gz	IHUJFVINKQRPDZ-NSCUHMNNSA-N	1	0	271.791	4.451	40	0		CIABRO
COc1ccccc1C[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2	ZINC000008497396	170338032	/nfs/dbraw/zinc/33/80/32/170338032.db2.gz	BGEOQQNPTOHLRK-KMYSJOAASA-N	1	0	299.458	4.390	40	0		CIABRO
CC[C@H](C)n1c2ccccc2nc1[C@H]([NH3+])CC(C)C	ZINC000040163864	174196954	/nfs/dbraw/zinc/19/69/54/174196954.db2.gz	RHKKHYGEYNKWKP-QWHCGFSZSA-N	1	0	259.397	4.053	40	0		CIABRO
CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C	ZINC000019371963	567877765	/nfs/dbraw/zinc/87/77/65/567877765.db2.gz	QMXBPISHDZOHRJ-IYBDPMFKSA-N	1	0	282.516	4.349	40	0		CIABRO
Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)[NH+]1CCCC1	ZINC000000075290	566873865	/nfs/dbraw/zinc/87/38/65/566873865.db2.gz	WDLIKRFAOYEFOI-IBGZPJMESA-N	1	0	291.398	4.057	40	0		CIABRO
C[Si](C)(C)C[NH+](Cc1ccccc1)C[Si](C)(C)C	ZINC000169909683	567015988	/nfs/dbraw/zinc/01/59/88/567015988.db2.gz	BPSRTBHGLKFZDK-UHFFFAOYSA-N	1	0	279.576	4.243	40	0		CIABRO
[NH3+][C@@H]1C[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000070452882	567116303	/nfs/dbraw/zinc/11/63/03/567116303.db2.gz	IRCAGZBVTLTZJK-MWLCHTKSSA-N	1	0	268.143	4.068	40	0		CIABRO
Cc1ccc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1	ZINC000019806994	567122929	/nfs/dbraw/zinc/12/29/29/567122929.db2.gz	LPUYXQTZGHIZCF-CQSZACIVSA-N	1	0	265.278	4.062	40	0		CIABRO
Cc1ccc(OC[C@H]([NH3+])c2cccc3ccccc32)cc1	ZINC000020008424	567126293	/nfs/dbraw/zinc/12/62/93/567126293.db2.gz	CNBZPYDFBUOWMW-IBGZPJMESA-N	1	0	277.367	4.227	40	0		CIABRO
CCC[C@@H]1C[C@@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C	ZINC000242548065	567195230	/nfs/dbraw/zinc/19/52/30/567195230.db2.gz	LBCDYEYYVRLZEA-TZMCWYRMSA-N	1	0	290.407	4.000	40	0		CIABRO
c1sc2[n+](c1-c1ccc(-c3ccccc3)cc1)CCS2	ZINC000000238501	567822944	/nfs/dbraw/zinc/82/29/44/567822944.db2.gz	FZPCMCFYVFLYQS-UHFFFAOYSA-N	1	0	296.440	4.475	40	0		CIABRO
CC[NH2+][C@@H](CC)c1ccc(OCc2ccccc2)cc1	ZINC000034822707	567833077	/nfs/dbraw/zinc/83/30/77/567833077.db2.gz	DWCBIJVPAYGTLR-SFHVURJKSA-N	1	0	269.388	4.326	40	0		CIABRO
CC[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O	ZINC000001246932	567836686	/nfs/dbraw/zinc/83/66/86/567836686.db2.gz	HLZZWYXFUPJRKG-IYWMVGAKSA-N	1	0	295.426	4.240	40	0		CIABRO
C[NH+](C)CCCN1c2ccccc2C(C)(C)c2ccccc21	ZINC000001482035	567837537	/nfs/dbraw/zinc/83/75/37/567837537.db2.gz	RYQOGSFEJBUZBX-UHFFFAOYSA-N	1	0	294.442	4.416	40	0	world	CIABRO
O[C@H](c1ccccc1)[C@H]([NH2+]C1CCCCC1)c1ccccc1	ZINC000001669470	567840714	/nfs/dbraw/zinc/84/07/14/567840714.db2.gz	AUJFQSIAONFRDP-WOJBJXKFSA-N	1	0	295.426	4.384	40	0		CIABRO
CC1CC[NH+]([C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1	ZINC000001666022	567840724	/nfs/dbraw/zinc/84/07/24/567840724.db2.gz	CKMLQILTWMWZQS-VQTJNVASSA-N	1	0	295.426	4.193	40	0		CIABRO
O[C@@H](c1ccccc1)[C@@H]([NH2+]C1CCCCC1)c1ccccc1	ZINC000001669471	567840734	/nfs/dbraw/zinc/84/07/34/567840734.db2.gz	AUJFQSIAONFRDP-PMACEKPBSA-N	1	0	295.426	4.384	40	0		CIABRO
C[NH2+][C@@H](Cc1ccccc1)c1c(OC)ccc2ccccc21	ZINC000001667058	567840865	/nfs/dbraw/zinc/84/08/65/567840865.db2.gz	ZFPNFXWMHYYPDA-SFHVURJKSA-N	1	0	291.394	4.352	40	0		CIABRO
C[NH+](C)[C@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000001681335	567841318	/nfs/dbraw/zinc/84/13/18/567841318.db2.gz	ORQXIMINPQJJBX-MRXNPFEDSA-N	1	0	259.780	4.185	40	0		CIABRO
c1ccc(CO[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1	ZINC000001707038	567841966	/nfs/dbraw/zinc/84/19/66/567841966.db2.gz	UKXKDNNCANFLIW-HXUWFJFHSA-N	1	0	295.426	4.430	40	0		CIABRO
c1ccc2c(c1)Cc1ccccc1N2CC[NH+]1CCCCC1	ZINC000001865339	567843850	/nfs/dbraw/zinc/84/38/50/567843850.db2.gz	VZNQLPACHUNKDL-UHFFFAOYSA-N	1	0	292.426	4.215	40	0		CIABRO
C[NH2+]CCC[C@]1(c2ccccc2)OC(C)(C)c2ccccc21	ZINC000001999541	567843915	/nfs/dbraw/zinc/84/39/15/567843915.db2.gz	LJBBMCNHIUJBDU-HXUWFJFHSA-N	1	0	295.426	4.195	40	0	in-man	CIABRO
C[NH+](C)CC[C@]12CCCC[C@@H]1CCc1ccccc12	ZINC000002022088	567843981	/nfs/dbraw/zinc/84/39/81/567843981.db2.gz	OUYMNJSATUVSSG-SJLPKXTDSA-N	1	0	257.421	4.013	40	0		CIABRO
C[C@H]1Cc2c3ccccc3[nH]c2[C@H]2[C@H]3CC=CC[C@@H]3C[N@@H+]21	ZINC000004026703	567854861	/nfs/dbraw/zinc/85/48/61/567854861.db2.gz	PVBRJYQZDMXBMF-SSHHRWTQSA-N	1	0	278.399	4.052	40	0		CIABRO
Cc1ccc(-c2cc[n+](-c3ccccc3)s2)cc1	ZINC000016311115	567872459	/nfs/dbraw/zinc/87/24/59/567872459.db2.gz	XUDIVRVYVLQYRH-UHFFFAOYSA-N	1	0	252.362	4.000	40	0		CIABRO
Cn1c(C=Cc2ccc(Cl)cc2)[o+]c2ccccc21	ZINC000017145598	567874802	/nfs/dbraw/zinc/87/48/02/567874802.db2.gz	RDXDGXWBWJOFJE-FLIBITNWSA-N	1	0	270.739	4.081	40	0		CIABRO
C(\c1ccccc1)=C1\C[NH2+]C/C(=C\c2ccccc2)C1	ZINC000017380115	567875561	/nfs/dbraw/zinc/87/55/61/567875561.db2.gz	VJVSOFFOHNGRHQ-ZAORYEFMSA-N	1	0	261.368	4.147	40	0		CIABRO
[NH3+][C@@H](c1cccs1)c1cc(Cl)cc(Cl)c1	ZINC000019841928	567879377	/nfs/dbraw/zinc/87/93/77/567879377.db2.gz	YVWJOJKDDDJIEN-LLVKDONJSA-N	1	0	258.173	4.103	40	0		CIABRO
C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1ccccc1	ZINC000094820317	567909213	/nfs/dbraw/zinc/90/92/13/567909213.db2.gz	JFBUPTFKLMWNFJ-RYUDHWBXSA-N	1	0	261.315	4.377	40	0		CIABRO
Cc1cncc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1	ZINC000072211366	567917596	/nfs/dbraw/zinc/91/75/96/567917596.db2.gz	VTGRMLATXXBCTQ-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CC(C)Oc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211889	567917634	/nfs/dbraw/zinc/91/76/34/567917634.db2.gz	JYULHSDHESFLOM-GOSISDBHSA-N	1	0	296.414	4.206	40	0		CIABRO
CCN(CC)c1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072212919	567918115	/nfs/dbraw/zinc/91/81/15/567918115.db2.gz	YYFGENYZKFURPR-QGZVFWFLSA-N	1	0	289.467	4.111	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1	ZINC000072212972	567918539	/nfs/dbraw/zinc/91/85/39/567918539.db2.gz	FXRCDDJNEHOWND-QGZVFWFLSA-N	1	0	289.467	4.252	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C(C)C)C(C)C	ZINC000072213018	567918611	/nfs/dbraw/zinc/91/86/11/567918611.db2.gz	NNFOUIWOPFPSCK-KRWDZBQOSA-N	1	0	289.467	4.252	40	0		CIABRO
CCN(CC)c1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072212859	567918635	/nfs/dbraw/zinc/91/86/35/567918635.db2.gz	UGIUAAGXTIZSCS-QGZVFWFLSA-N	1	0	289.467	4.111	40	0		CIABRO
CCCCNc1ccc([C@@H]2CCC[N@@H+]2CCCC)cn1	ZINC000072213663	567918787	/nfs/dbraw/zinc/91/87/87/567918787.db2.gz	CLAHZYFBEFSTIP-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
CC(C)CNc1ccc([C@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213335	567918973	/nfs/dbraw/zinc/91/89/73/567918973.db2.gz	QKEIIRWWIOOKPY-MRXNPFEDSA-N	1	0	275.440	4.085	40	0		CIABRO
CC(C)CNc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213336	567919200	/nfs/dbraw/zinc/91/92/00/567919200.db2.gz	ZHHHXKJFTRZKNI-KRWDZBQOSA-N	1	0	289.467	4.333	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)C)nc1	ZINC000072213319	567919314	/nfs/dbraw/zinc/91/93/14/567919314.db2.gz	YBBQYOFJTIWQIR-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
COc1cc(C)c([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072218043	567919675	/nfs/dbraw/zinc/91/96/75/567919675.db2.gz	SCVJYUKNNFNYAM-GOSISDBHSA-N	1	0	296.414	4.126	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1cccnc1SC(C)(C)C	ZINC000072217412	567919911	/nfs/dbraw/zinc/91/99/11/567919911.db2.gz	WYICOIXTCZMPKL-CYBMUJFWSA-N	1	0	264.438	4.129	40	0		CIABRO
c1cc(SC2CCCCC2)ncc1[C@@H]1CCCC[NH2+]1	ZINC000072217253	567919922	/nfs/dbraw/zinc/91/99/22/567919922.db2.gz	UORKNNKYDGMTAE-HNNXBMFYSA-N	1	0	276.449	4.321	40	0		CIABRO
C[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1	ZINC000072217287	567920089	/nfs/dbraw/zinc/92/00/89/567920089.db2.gz	BDMYZWIPZQZZMY-HNNXBMFYSA-N	1	0	276.449	4.273	40	0		CIABRO
CC(C)Sc1ccc([C@@H]2CCC[N@@H+]2C(C)C)cn1	ZINC000072217481	567920161	/nfs/dbraw/zinc/92/01/61/567920161.db2.gz	ZGLUMENKHRFVLP-AWEZNQCLSA-N	1	0	264.438	4.127	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCCCC1	ZINC000072216120	567920278	/nfs/dbraw/zinc/92/02/78/567920278.db2.gz	VLNKZLLKXMAPFM-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCCCCC2)nc1	ZINC000072216643	567920683	/nfs/dbraw/zinc/92/06/83/567920683.db2.gz	SLKBUCTXOSYSDX-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
Cc1cc(Cl)ncc1[C@@H]1CCCC[N@H+]1CC(C)C	ZINC000072217862	567920774	/nfs/dbraw/zinc/92/07/74/567920774.db2.gz	FZWGSUBQUXYYNP-AWEZNQCLSA-N	1	0	266.816	4.226	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1SCC	ZINC000072217199	567921133	/nfs/dbraw/zinc/92/11/33/567921133.db2.gz	MKAOKWLLFAGYIS-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(SCC)nc1	ZINC000072217127	567921244	/nfs/dbraw/zinc/92/12/44/567921244.db2.gz	LDAYKBOQTIPANG-AWEZNQCLSA-N	1	0	264.438	4.131	40	0		CIABRO
CSc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072216870	567921383	/nfs/dbraw/zinc/92/13/83/567921383.db2.gz	CVYZPFNSFYUIQC-INIZCTEOSA-N	1	0	284.428	4.141	40	0		CIABRO
CNc1cc(C)c([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072219066	567921529	/nfs/dbraw/zinc/92/15/29/567921529.db2.gz	MKWPFDBVPAKCRL-SFHVURJKSA-N	1	0	295.430	4.159	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1	ZINC000072219573	567921646	/nfs/dbraw/zinc/92/16/46/567921646.db2.gz	GRQPEMKTUAJZNY-KRWDZBQOSA-N	1	0	254.377	4.172	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1	ZINC000072221810	567922190	/nfs/dbraw/zinc/92/21/90/567922190.db2.gz	MVSGLSMPZAYWKB-SFHVURJKSA-N	1	0	268.404	4.418	40	0		CIABRO
COc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1	ZINC000072221521	567922263	/nfs/dbraw/zinc/92/22/63/567922263.db2.gz	PSDIJWASCCYKJY-IBGZPJMESA-N	1	0	281.399	4.422	40	0		CIABRO
CC/C(=C/c1sc2ccccc2[n+]1CC)SC	ZINC000000343714	567929430	/nfs/dbraw/zinc/92/94/30/567929430.db2.gz	NKLXRUAYONFDTF-KHPPLWFESA-N	1	0	264.439	4.323	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@H]3CC=CC[C@@H]3[C@@H]12	ZINC000004026711	567932404	/nfs/dbraw/zinc/93/24/04/567932404.db2.gz	XGOIUNFXMAIFSF-TYILLQQXSA-N	1	0	278.399	4.053	40	0		CIABRO
C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C	ZINC000025546107	567948911	/nfs/dbraw/zinc/94/89/11/567948911.db2.gz	LFSRKKRTSWCPDC-AWRLDBOVSA-N	1	0	299.458	4.212	40	0		CIABRO
Cc1ccc(-n2cccc2C[NH2+]CC(C)C)cc1Cl	ZINC000223687579	567950299	/nfs/dbraw/zinc/95/02/99/567950299.db2.gz	CSSYYNLJTXXKJY-UHFFFAOYSA-N	1	0	276.811	4.185	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1ccc(C)c(Cl)c1	ZINC000223687505	567950394	/nfs/dbraw/zinc/95/03/94/567950394.db2.gz	KCRWHELOWWPNJO-UHFFFAOYSA-N	1	0	276.811	4.329	40	0		CIABRO
CCCCn1c(C)c(C[NH2+]C)c2cc(OCCC)ccc21	ZINC000223759999	567950563	/nfs/dbraw/zinc/95/05/63/567950563.db2.gz	BYNZAKOVPKHGNM-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C)c(C)n2C(C)C	ZINC000223760826	567950690	/nfs/dbraw/zinc/95/06/90/567950690.db2.gz	WLEIQOBCVDNFLT-ZDUSSCGKSA-N	1	0	288.435	4.427	40	0		CIABRO
CC[C@H](C)Oc1ccc2[nH]c(C)c(C[NH2+]C(C)C)c2c1	ZINC000223770554	567950815	/nfs/dbraw/zinc/95/08/15/567950815.db2.gz	GWFJZNFZOZAKTD-LBPRGKRZSA-N	1	0	274.408	4.152	40	0		CIABRO
CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCC(C)C	ZINC000225157530	567952407	/nfs/dbraw/zinc/95/24/07/567952407.db2.gz	NXAFAHNUMHAZCY-CQSZACIVSA-N	1	0	279.424	4.008	40	0		CIABRO
CC(C)C[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225168694	567952752	/nfs/dbraw/zinc/95/27/52/567952752.db2.gz	UTYADQMXGXDKOO-AWEZNQCLSA-N	1	0	261.409	4.315	40	0		CIABRO
C[NH+](C)CC(C)(C)[C@H]1O[C@H]2CCCC[C@H]2C2=CCCC[C@H]21	ZINC000004027056	570292860	/nfs/dbraw/zinc/29/28/60/570292860.db2.gz	HCPHZQAJVVJZLU-MHORFTMASA-N	1	0	291.479	4.258	40	0		CIABRO
C[C@H]([NH3+])[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C	ZINC000222103024	570301086	/nfs/dbraw/zinc/30/10/86/570301086.db2.gz	LFSRKKRTSWCPDC-NZSZNBDPSA-N	1	0	299.458	4.212	40	0		CIABRO
CC(C)CN1Cc2cnn(C(C)(C)C)c2-c2ccccc2C1	ZINC000306140421	570331781	/nfs/dbraw/zinc/33/17/81/570331781.db2.gz	UTHGKYFYLDAJOZ-UHFFFAOYSA-N	1	0	297.446	4.277	40	0		CIABRO
Fc1ccccc1-c1nc2cc(C[NH+]3CCCC3)ccc2o1	ZINC000216789919	570346134	/nfs/dbraw/zinc/34/61/34/570346134.db2.gz	ZOIZXOGSKITLMC-UHFFFAOYSA-N	1	0	296.345	4.230	40	0		CIABRO
[NH3+]CCCCN1c2ccccc2Sc2ccccc21	ZINC000053524260	570348788	/nfs/dbraw/zinc/34/87/88/570348788.db2.gz	GIIRHITWHGRFQI-UHFFFAOYSA-N	1	0	270.401	4.028	40	0		CIABRO
c1ccc(CCCC2CC[NH+](Cc3cccnc3)CC2)cc1	ZINC000008701074	570392509	/nfs/dbraw/zinc/39/25/09/570392509.db2.gz	HAGJXFGCXCDPMO-UHFFFAOYSA-N	1	0	294.442	4.317	40	0		CIABRO
Oc1ccccc1/C=C\c1[o+]ccc2c1CCCC2	ZINC000004567038	230368887	/nfs/dbraw/zinc/36/88/87/230368887.db2.gz	IVROPHVIKAMADU-KTKRTIGZSA-O	1	0	253.321	4.316	40	0		CIABRO
CC(C)C[NH2+]Cc1ccc(Br)c2ccccc12	ZINC000085391750	179048621	/nfs/dbraw/zinc/04/86/21/179048621.db2.gz	WYYMZEZBOSZBNG-UHFFFAOYSA-N	1	0	292.220	4.348	40	0		CIABRO
[NH3+][C@@H](c1ccccc1)c1cccc(-c2ccccc2)c1	ZINC000090587170	180009291	/nfs/dbraw/zinc/00/92/91/180009291.db2.gz	VEXBAFDHQBLMHV-IBGZPJMESA-N	1	0	259.352	4.402	40	0		CIABRO
CC[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC1CCCC1	ZINC000225159994	189744516	/nfs/dbraw/zinc/74/45/16/189744516.db2.gz	PGIZRHHLWFSQAS-KGLIPLIRSA-N	1	0	261.409	4.457	40	0		CIABRO
CC[C@@H](C)[NH2+][C@H](C)c1cccc(OC2CCCC2)c1	ZINC000225165601	189744680	/nfs/dbraw/zinc/74/46/80/189744680.db2.gz	LJFVIBXMVNDQFF-ZIAGYGMSSA-N	1	0	261.409	4.457	40	0		CIABRO
CC[C@H]([NH3+])c1cnc(SCc2ccccc2)cc1C	ZINC000072223456	256706113	/nfs/dbraw/zinc/70/61/13/256706113.db2.gz	PHHIHEXJUTYDTD-HNNXBMFYSA-N	1	0	272.417	4.092	40	0		CIABRO
CCSc1ncccc1[C@H]1CCCC[N@@H+]1C(C)C	ZINC000072217202	256709734	/nfs/dbraw/zinc/70/97/34/256709734.db2.gz	UNRNMCMWRKCOMJ-CQSZACIVSA-N	1	0	264.438	4.129	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCC1	ZINC000072216107	256712055	/nfs/dbraw/zinc/71/20/55/256712055.db2.gz	KJZBDSAABOERGZ-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
Cc1cc(-c2ccccc2)cc(C)[n+]1-c1ccccc1	ZINC000001685132	169741406	/nfs/dbraw/zinc/74/14/06/169741406.db2.gz	GJDSYABAYFWQCY-UHFFFAOYSA-N	1	0	260.360	4.247	40	0		CIABRO
C[NH+](C)CCCc1cccc2c3ccccc3oc21	ZINC000004913926	170040409	/nfs/dbraw/zinc/04/04/09/170040409.db2.gz	FEKCXPFWGSIGJE-UHFFFAOYSA-N	1	0	253.345	4.080	40	0		CIABRO
CC1CC[NH+](CC23CC4C[C@H](C2)CC[C@@H](C4)C3)CC1	ZINC000005043904	170059923	/nfs/dbraw/zinc/05/99/23/170059923.db2.gz	DQEIRLLLNVSEHK-OQSMONGASA-N	1	0	261.453	4.325	40	0		CIABRO
COc1ccc2[nH+]c(C)cc(Nc3ccc(O)cc3C)c2c1	ZINC000005336908	170086930	/nfs/dbraw/zinc/08/69/30/170086930.db2.gz	RYPMOSVKRUROOA-UHFFFAOYSA-N	1	0	294.354	4.309	40	0		CIABRO
CS[C@]1(C)C[C@H]2[C@@H](C[C@H]1[NH+]1CCCCC1)C2(C)C	ZINC000005757373	170137539	/nfs/dbraw/zinc/13/75/39/170137539.db2.gz	ATUFQGIVQRQCFZ-HLPPOEQASA-N	1	0	267.482	4.029	40	0		CIABRO
CC(C)C[NH2+][C@H](Cc1ccccc1)c1ccccc1	ZINC000005759295	170137810	/nfs/dbraw/zinc/13/78/10/170137810.db2.gz	MDCAXCVWFHKLAO-GOSISDBHSA-N	1	0	253.389	4.216	40	0		CIABRO
CC[n+]1c(/C=C/c2cccc(O)c2)ccc2ccccc21	ZINC000006358905	170195126	/nfs/dbraw/zinc/19/51/26/170195126.db2.gz	SRENETZSZVOVFT-ZRDIBKRKSA-O	1	0	276.359	4.023	40	0		CIABRO
Cc1ccccc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000006896037	170253975	/nfs/dbraw/zinc/25/39/75/170253975.db2.gz	ZBJWFVHEYOLGAB-UHFFFAOYSA-N	1	0	280.415	4.072	40	0		CIABRO
C[n+]1c(/C=C/C=C\c2ccccc2)sc2ccccc21	ZINC000008580743	170341658	/nfs/dbraw/zinc/34/16/58/170341658.db2.gz	ICSAXDKCCTYWSW-ZCVSKNPDSA-N	1	0	278.400	4.452	40	0		CIABRO
Cc1cc(NCc2cccs2)c2ccccc2[nH+]1	ZINC000035206393	172049785	/nfs/dbraw/zinc/04/97/85/172049785.db2.gz	KXDIQIWLPUBZLY-UHFFFAOYSA-N	1	0	254.358	4.217	40	0		CIABRO
Fc1ccc(/C(Cl)=C/C=[N+]2CCCCCC2)cc1	ZINC000035586082	172284443	/nfs/dbraw/zinc/28/44/43/172284443.db2.gz	NFNVRZXYEXYIEM-DHDCSXOGSA-N	1	0	266.767	4.063	40	0		CIABRO
COc1ccc([C@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000044138550	175146332	/nfs/dbraw/zinc/14/63/32/175146332.db2.gz	KOFZKAWFEDMFTD-IBGZPJMESA-N	1	0	281.399	4.271	40	0		CIABRO
COc1ccccc1C1CC[NH+](CCc2ccccc2)CC1	ZINC000045221779	175331039	/nfs/dbraw/zinc/33/10/39/175331039.db2.gz	FJEFZCUFPKPFGE-UHFFFAOYSA-N	1	0	295.426	4.117	40	0		CIABRO
Cc1ccccc1-c1cncc(C2CC[NH+](C(C)C)CC2)n1	ZINC000072359295	176377175	/nfs/dbraw/zinc/37/71/75/176377175.db2.gz	UOEOAOGQGRRDCN-UHFFFAOYSA-N	1	0	295.430	4.040	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(SCC)nc1	ZINC000072217126	567890637	/nfs/dbraw/zinc/89/06/37/567890637.db2.gz	LDAYKBOQTIPANG-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(SC)nc1	ZINC000072216905	567921298	/nfs/dbraw/zinc/92/12/98/567921298.db2.gz	NWGQQNIKQCZQPC-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
CCSc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072217203	567921372	/nfs/dbraw/zinc/92/13/72/567921372.db2.gz	KEXXQNNDVKZTPS-HNNXBMFYSA-N	1	0	278.465	4.377	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1cc(Cl)ccc1C	ZINC000223686848	567950369	/nfs/dbraw/zinc/95/03/69/567950369.db2.gz	CDDFZWOLOYWXGI-UHFFFAOYSA-N	1	0	276.811	4.329	40	0		CIABRO
Cc1ccccc1OC[C@@H]([NH3+])c1cccc2ccccc21	ZINC000019987442	567126315	/nfs/dbraw/zinc/12/63/15/567126315.db2.gz	HAAWRMQEWFAKRN-GOSISDBHSA-N	1	0	277.367	4.227	40	0		CIABRO
CC[NH2+][C@H](CC)c1ccc(OCc2ccccc2)cc1	ZINC000034822708	567833097	/nfs/dbraw/zinc/83/30/97/567833097.db2.gz	DWCBIJVPAYGTLR-GOSISDBHSA-N	1	0	269.388	4.326	40	0		CIABRO
C[C@@H]1c2ccccc2C[C@@H](CC[NH+](C)C)c2ccccc21	ZINC000001579672	567838419	/nfs/dbraw/zinc/83/84/19/567838419.db2.gz	LYMOVRPSPQDFNQ-NVXWUHKLSA-N	1	0	279.427	4.430	40	0		CIABRO
O[C@@H](C[C@@H]1CCCC[NH2+]1)c1ccc2c(c1)oc1ccccc12	ZINC000001580919	567838736	/nfs/dbraw/zinc/83/87/36/567838736.db2.gz	LKHZVNUBYURFCB-YOEHRIQHSA-N	1	0	295.382	4.152	40	0	in-vitro	CIABRO
CC[NH+](CC)CCC(=O)c1ccc(Cl)c2ccccc12	ZINC000001628194	567839643	/nfs/dbraw/zinc/83/96/43/567839643.db2.gz	SZXKBNFEHIPHCH-UHFFFAOYSA-N	1	0	289.806	4.408	40	0		CIABRO
C[N@@H+]1CC[C@H](CC(c2ccccc2)c2ccccc2)C1	ZINC000001628105	567839791	/nfs/dbraw/zinc/83/97/91/567839791.db2.gz	VVNHYGQKKOIHMW-MRXNPFEDSA-N	1	0	265.400	4.160	40	0		CIABRO
CC[NH+](CC)CCC(=O)c1ccc(Oc2ccccc2)cc1	ZINC000001649607	567840006	/nfs/dbraw/zinc/84/00/06/567840006.db2.gz	GQXJGDUDIGIQKS-UHFFFAOYSA-N	1	0	297.398	4.394	40	0		CIABRO
CS[C@]1(C)C[C@@H]2[C@H](C[C@H]1[NH+]1CCCCC1)C2(C)C	ZINC000001634956	567840055	/nfs/dbraw/zinc/84/00/55/567840055.db2.gz	ATUFQGIVQRQCFZ-DSJMHWKBSA-N	1	0	267.482	4.029	40	0		CIABRO
c1sc2ccc3ccccc3[n+]2c1-c1ccccc1	ZINC000001653688	567840269	/nfs/dbraw/zinc/84/02/69/567840269.db2.gz	FDOYLEGILBKXLU-UHFFFAOYSA-N	1	0	262.357	4.307	40	0		CIABRO
Cc1cccc(C[C@@H](c2cccc(C)c2)[NH+](C)C)c1	ZINC000001664088	567840308	/nfs/dbraw/zinc/84/03/08/567840308.db2.gz	ZCDHAHXLODZAHU-SFHVURJKSA-N	1	0	253.389	4.149	40	0		CIABRO
Oc1ccc([C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000001667639	567840721	/nfs/dbraw/zinc/84/07/21/567840721.db2.gz	OMBBVTBMGDQASV-LJQANCHMSA-N	1	0	281.399	4.162	40	0		CIABRO
CC[NH+](CC)Cc1cc(C)ccc1OC(=O)c1ccccc1	ZINC000001688826	567841757	/nfs/dbraw/zinc/84/17/57/567841757.db2.gz	OHLURFXIUHMULJ-UHFFFAOYSA-N	1	0	297.398	4.056	40	0		CIABRO
CC1CCC(C2=CS[C@@H]3CCCC[C@H]3[NH2+]2)CC1	ZINC000001735530	567842685	/nfs/dbraw/zinc/84/26/85/567842685.db2.gz	OBARVIAJBZZFED-UJFKTDLFSA-N	1	0	251.439	4.302	40	0		CIABRO
Cc1cc2ccccc2[n+](C)c1-c1ccccc1Cl	ZINC000001724667	567842779	/nfs/dbraw/zinc/84/27/79/567842779.db2.gz	MBWGBQVKIQTZPA-UHFFFAOYSA-N	1	0	268.767	4.293	40	0		CIABRO
CC1CCC(C2=CS[C@@H]3CCCC[C@@H]3[NH2+]2)CC1	ZINC000001735531	567842792	/nfs/dbraw/zinc/84/27/92/567842792.db2.gz	OBARVIAJBZZFED-NSOJWWLLSA-N	1	0	251.439	4.302	40	0		CIABRO
[NH3+][C@H]1CC[C@](c2ccccc2)(c2ccc(Cl)cc2)C1	ZINC000003601881	567853256	/nfs/dbraw/zinc/85/32/56/567853256.db2.gz	PBXXNPPLSKOFEY-IRXDYDNUSA-N	1	0	271.791	4.137	40	0		CIABRO
c1ccc2c(c1)[nH]c1c2CCC[N@@H+]2C[C@H]3CC=CC[C@@H]3[C@H]12	ZINC000004026712	567855009	/nfs/dbraw/zinc/85/50/09/567855009.db2.gz	XGOIUNFXMAIFSF-BIENJYKASA-N	1	0	278.399	4.053	40	0		CIABRO
C[N@@H+]1CC[C@@H](CC(c2ccccc2)c2ccccc2)C1	ZINC000004537372	567858312	/nfs/dbraw/zinc/85/83/12/567858312.db2.gz	VVNHYGQKKOIHMW-INIZCTEOSA-N	1	0	265.400	4.160	40	0		CIABRO
CCCC[NH+](CCCC)CCCC(OCC)OCC	ZINC000004775731	567859122	/nfs/dbraw/zinc/85/91/22/567859122.db2.gz	NIEZRBTWRRFSET-UHFFFAOYSA-N	1	0	273.461	4.068	40	0		CIABRO
Fc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236391	567862773	/nfs/dbraw/zinc/86/27/73/567862773.db2.gz	AOUQXIYVDUCXRX-KRWDZBQOSA-N	1	0	295.361	4.039	40	0		CIABRO
N#[N+]c1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2	ZINC000016492334	567872949	/nfs/dbraw/zinc/87/29/49/567872949.db2.gz	YJVKFRPDSWUUPS-UHFFFAOYSA-N	1	0	299.317	4.171	40	0		CIABRO
CC(=O)C[C@@H](c1ccccc1)c1ccccc1[C@@H](C)[NH+](C)C	ZINC000017174572	567875351	/nfs/dbraw/zinc/87/53/51/567875351.db2.gz	OJRSDRGLDWIRSG-UZLBHIALSA-N	1	0	295.426	4.420	40	0		CIABRO
c1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cs1	ZINC000019346927	567877658	/nfs/dbraw/zinc/87/76/58/567877658.db2.gz	IEOHAPDABGITES-OAHLLOKOSA-N	1	0	297.427	4.004	40	0		CIABRO
c1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1	ZINC000019373882	567877819	/nfs/dbraw/zinc/87/78/19/567877819.db2.gz	HHQIZBCPNJJMHI-ZRNYENFQSA-N	1	0	292.426	4.144	40	0		CIABRO
CCCc1cc([C@H]2CCCCCN2Cc2cccnc2)no1	ZINC000019525412	567878182	/nfs/dbraw/zinc/87/81/82/567878182.db2.gz	ULCKZDHUHFAMDS-GOSISDBHSA-N	1	0	299.418	4.139	40	0		CIABRO
Cc1cccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)n1	ZINC000072211104	567917427	/nfs/dbraw/zinc/91/74/27/567917427.db2.gz	KYGVHXXECWHFDA-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
Cc1cccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1	ZINC000072211103	567917508	/nfs/dbraw/zinc/91/75/08/567917508.db2.gz	KYGVHXXECWHFDA-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212156	567918136	/nfs/dbraw/zinc/91/81/36/567918136.db2.gz	VJGYTOGDAFOZAR-KRWDZBQOSA-N	1	0	282.387	4.421	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1	ZINC000072212201	567918324	/nfs/dbraw/zinc/91/83/24/567918324.db2.gz	ZLWMRPBFVOQMDC-KRWDZBQOSA-N	1	0	282.387	4.421	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1	ZINC000072212214	567918404	/nfs/dbraw/zinc/91/84/04/567918404.db2.gz	BXCIKVFGDZEWOY-INIZCTEOSA-N	1	0	268.360	4.031	40	0		CIABRO
CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1CC(C)C	ZINC000072213601	567918823	/nfs/dbraw/zinc/91/88/23/567918823.db2.gz	WUUWQFHALGLGHW-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213545	567918848	/nfs/dbraw/zinc/91/88/48/567918848.db2.gz	IOTUCYFNAHBCEW-NVXWUHKLSA-N	1	0	289.467	4.475	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NCC(C)C	ZINC000072213278	567918880	/nfs/dbraw/zinc/91/88/80/567918880.db2.gz	MUMDLXAJOHEZRA-QGZVFWFLSA-N	1	0	289.467	4.477	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCC1	ZINC000072213921	567919043	/nfs/dbraw/zinc/91/90/43/567919043.db2.gz	XLXXMYIELOVDLI-KRWDZBQOSA-N	1	0	287.451	4.229	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1	ZINC000072213920	567919129	/nfs/dbraw/zinc/91/91/29/567919129.db2.gz	XLXXMYIELOVDLI-QGZVFWFLSA-N	1	0	287.451	4.229	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214275	567919515	/nfs/dbraw/zinc/91/95/15/567919515.db2.gz	FVPVOARHOGYRLX-SFHVURJKSA-N	1	0	295.430	4.396	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214260	567919812	/nfs/dbraw/zinc/91/98/12/567919812.db2.gz	NJRQKMAEYHGHND-SFHVURJKSA-N	1	0	295.430	4.396	40	0		CIABRO
C[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C	ZINC000072217435	567919868	/nfs/dbraw/zinc/91/98/68/567919868.db2.gz	JJZPAGYJRFRBHR-ZDUSSCGKSA-N	1	0	264.438	4.129	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1cccnc1SC(C)(C)C	ZINC000072217413	567919952	/nfs/dbraw/zinc/91/99/52/567919952.db2.gz	WYICOIXTCZMPKL-ZDUSSCGKSA-N	1	0	264.438	4.129	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)C)nc1	ZINC000072217498	567920247	/nfs/dbraw/zinc/92/02/47/567920247.db2.gz	VDPRKYXRFNEVSJ-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
c1ccc(Sc2ncccc2[C@@H]2CCCC[NH2+]2)cc1	ZINC000072217673	567920264	/nfs/dbraw/zinc/92/02/64/567920264.db2.gz	XJAAEVGFKHWCEL-HNNXBMFYSA-N	1	0	270.401	4.047	40	0		CIABRO
c1ccc(Sc2ccc([C@@H]3CCCC[NH2+]3)cn2)cc1	ZINC000072217613	567920692	/nfs/dbraw/zinc/92/06/92/567920692.db2.gz	KFZLRAMMDOWMAQ-HNNXBMFYSA-N	1	0	270.401	4.047	40	0		CIABRO
S=c1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)c[nH]1	ZINC000072217028	567921145	/nfs/dbraw/zinc/92/11/45/567921145.db2.gz	HBLQEZVCAIQIIW-INIZCTEOSA-N	1	0	284.428	4.098	40	0		CIABRO
CSc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072216930	567921391	/nfs/dbraw/zinc/92/13/91/567921391.db2.gz	AECOYDDPEXOEGD-INIZCTEOSA-N	1	0	284.428	4.141	40	0		CIABRO
c1csc([C@H]2CCCC[N@H+]2Cc2ccccc2)c1	ZINC000072221660	567922159	/nfs/dbraw/zinc/92/21/59/567922159.db2.gz	QVBMPRVVMIPUNQ-OAHLLOKOSA-N	1	0	257.402	4.475	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1	ZINC000072221805	567922230	/nfs/dbraw/zinc/92/22/30/567922230.db2.gz	OOBQMDBCXXCHQD-QGZVFWFLSA-N	1	0	254.377	4.172	40	0		CIABRO
COc1ccccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000072221485	567922240	/nfs/dbraw/zinc/92/22/40/567922240.db2.gz	BOGDFPZEQFFVQG-SFHVURJKSA-N	1	0	281.399	4.422	40	0		CIABRO
CC[C@@H]([NH3+])c1cnc(SC2CCCCC2)cc1C	ZINC000072223845	567922657	/nfs/dbraw/zinc/92/26/57/567922657.db2.gz	SGTSIJXBQDKNLY-CQSZACIVSA-N	1	0	264.438	4.225	40	0		CIABRO
CC(C)(C)Sc1ccc([C@@H]([NH3+])c2ccccc2)cn1	ZINC000072225753	567922676	/nfs/dbraw/zinc/92/26/76/567922676.db2.gz	FCBYMANJAYDLHQ-HNNXBMFYSA-N	1	0	272.417	4.020	40	0		CIABRO
CC[C@@H]([NH3+])c1ccc(SCc2ccccc2)nc1C	ZINC000072224499	567922808	/nfs/dbraw/zinc/92/28/08/567922808.db2.gz	AGFHLGOGYFBHTC-OAHLLOKOSA-N	1	0	272.417	4.092	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1	ZINC000113704057	567926216	/nfs/dbraw/zinc/92/62/16/567926216.db2.gz	KNTYMZBIBDFZLD-UHFFFAOYSA-N	1	0	296.336	4.386	40	0		CIABRO
CC1=CC[C@H]2[C@@H](C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]23)C1	ZINC000004027358	567932496	/nfs/dbraw/zinc/93/24/96/567932496.db2.gz	GOVTWXUTTQVUJX-TYILLQQXSA-N	1	0	278.399	4.053	40	0		CIABRO
Cn1c2ccccc2c2ccc(/C=C/c3cccc[n+]3C)cc21	ZINC000004933044	567932742	/nfs/dbraw/zinc/93/27/42/567932742.db2.gz	NKXFXTUZHIVKGD-UHFFFAOYSA-N	1	0	299.397	4.326	40	0		CIABRO
CC[NH+](CC)CCC[C@H](C)Nc1ccc2ccccc2n1	ZINC000001733776	567937425	/nfs/dbraw/zinc/93/74/25/567937425.db2.gz	GEQQWZVVWXHOCJ-HNNXBMFYSA-N	1	0	285.435	4.157	40	0		CIABRO
CCCCOc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1	ZINC000001614480	567937452	/nfs/dbraw/zinc/93/74/52/567937452.db2.gz	OWTKYQHYXVQKGV-SFHVURJKSA-N	1	0	269.388	4.108	40	0		CIABRO
CCc1cc2ccc(C)c(C)c2nc1SCC[NH+](C)C	ZINC000013483231	567941676	/nfs/dbraw/zinc/94/16/76/567941676.db2.gz	IJSSIRRJHSRTNS-UHFFFAOYSA-N	1	0	288.460	4.068	40	0		CIABRO
CCC[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C	ZINC000223677442	567950222	/nfs/dbraw/zinc/95/02/22/567950222.db2.gz	LRPPJCJQVCYYJC-HNNXBMFYSA-N	1	0	270.420	4.214	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1ccc(Cl)cc1C	ZINC000223686213	567950253	/nfs/dbraw/zinc/95/02/53/567950253.db2.gz	COSNPDFYJPBMHI-UHFFFAOYSA-N	1	0	276.811	4.329	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1cccc(Cl)c1	ZINC000223684910	567950381	/nfs/dbraw/zinc/95/03/81/567950381.db2.gz	WEDRMYNLEUWVEA-UHFFFAOYSA-N	1	0	262.784	4.020	40	0		CIABRO
CC[C@@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2C(C)C	ZINC000223757601	567950547	/nfs/dbraw/zinc/95/05/47/567950547.db2.gz	LCIJLNLDNGGIIZ-GFCCVEGCSA-N	1	0	274.408	4.167	40	0		CIABRO
CCCOc1ccc2c(c1)c(C[NH2+]CC)c(C)n2C(C)C	ZINC000223764113	567950565	/nfs/dbraw/zinc/95/05/65/567950565.db2.gz	IKYGFMWVLLTRFI-UHFFFAOYSA-N	1	0	288.435	4.429	40	0		CIABRO
CCCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2C(C)C	ZINC000223759917	567950567	/nfs/dbraw/zinc/95/05/67/567950567.db2.gz	BTKNJBRDZXACNC-UHFFFAOYSA-N	1	0	274.408	4.039	40	0		CIABRO
CC[C@H](C)Oc1ccc2c(c1)c(C[NH3+])c(C)n2C(C)C	ZINC000223757667	567950590	/nfs/dbraw/zinc/95/05/90/567950590.db2.gz	LCIJLNLDNGGIIZ-LBPRGKRZSA-N	1	0	274.408	4.167	40	0		CIABRO
CCC[NH2+]Cc1c(C)n(CC)c2ccc(OCCC)cc21	ZINC000223767044	567950786	/nfs/dbraw/zinc/95/07/86/567950786.db2.gz	DSRJEUVPNZVQNH-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1	ZINC000225165523	567952836	/nfs/dbraw/zinc/95/28/36/567952836.db2.gz	LJFVIBXMVNDQFF-KGLIPLIRSA-N	1	0	261.409	4.457	40	0		CIABRO
CC[C@H](C)[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1	ZINC000225165569	189744583	/nfs/dbraw/zinc/74/45/83/189744583.db2.gz	LJFVIBXMVNDQFF-KBPBESRZSA-N	1	0	261.409	4.457	40	0		CIABRO
CCCC[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225168479	189745210	/nfs/dbraw/zinc/74/52/10/189745210.db2.gz	JTSPNZPSXULYFA-AWEZNQCLSA-N	1	0	261.409	4.459	40	0		CIABRO
Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1cccc2nccn21	ZINC000257254109	190020699	/nfs/dbraw/zinc/02/06/99/190020699.db2.gz	KBQMPLXVMPPNHL-CQSZACIVSA-N	1	0	297.427	4.041	40	0		CIABRO
Cc1nc(Oc2ccccc2)ccc1[C@H]([NH3+])c1ccccc1	ZINC000072224207	256704891	/nfs/dbraw/zinc/70/48/91/256704891.db2.gz	RMBWYAYWOQQRLS-LJQANCHMSA-N	1	0	290.366	4.230	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)cc1C	ZINC000072218345	256708105	/nfs/dbraw/zinc/70/81/05/256708105.db2.gz	LWHDGMHVQFVJQJ-AWEZNQCLSA-N	1	0	264.438	4.006	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214094	256711402	/nfs/dbraw/zinc/71/14/02/256711402.db2.gz	OVSZMZSCQHKXNY-QGZVFWFLSA-N	1	0	281.403	4.372	40	0		CIABRO
Cc1c(C[NH+](C)C)onc1-c1c(Cl)cccc1Cl	ZINC000001611290	169725095	/nfs/dbraw/zinc/72/50/95/169725095.db2.gz	AIFDTVYZEPTUNA-UHFFFAOYSA-N	1	0	285.174	4.018	40	0		CIABRO
COc1ccc(C[NH2+]C/C=C/c2ccc(Cl)cc2)cc1	ZINC000007541295	533655677	/nfs/dbraw/zinc/65/56/77/533655677.db2.gz	MXWIUTZCDXCMNX-NSCUHMNNSA-N	1	0	287.790	4.152	40	0		CIABRO
O[C@H](C[C@H]1CCCC[NH2+]1)c1ccc2c(c1)oc1ccccc12	ZINC000004917007	170041300	/nfs/dbraw/zinc/04/13/00/170041300.db2.gz	LKHZVNUBYURFCB-RHSMWYFYSA-N	1	0	295.382	4.152	40	0	in-vitro	CIABRO
CC(C)(C)[N@@H+]1C[C@H]([C@H](O)c2ccccc2)[C@@H]1c1ccccc1	ZINC000005105216	170066742	/nfs/dbraw/zinc/06/67/42/170066742.db2.gz	YDCYRILBEMTSIT-GBESFXJTSA-N	1	0	295.426	4.192	40	0		CIABRO
Cc1cc(C)[n+](-c2ccccc2C(C)(C)C)c(C)c1	ZINC000005378642	170091736	/nfs/dbraw/zinc/09/17/36/170091736.db2.gz	HGNFHQYVVGRXLZ-UHFFFAOYSA-N	1	0	254.397	4.186	40	0		CIABRO
CCC[NH+](CCC)C[C@@H](O)c1ccc2c3c(cccc31)CC2	ZINC000005554940	170112838	/nfs/dbraw/zinc/11/28/38/170112838.db2.gz	IYBOZZUIHABJFI-LJQANCHMSA-N	1	0	297.442	4.094	40	0		CIABRO
CCCC[NH2+][C@H](C(=O)c1ccccc1)c1ccc(OC)cc1	ZINC000005973607	170164566	/nfs/dbraw/zinc/16/45/66/170164566.db2.gz	XGMUWTLTHSSFLB-SFHVURJKSA-N	1	0	297.398	4.009	40	0		CIABRO
CCCC[NH+](CCCC)C[C@@H](O)c1ccc(Cl)cc1	ZINC000005973441	170164576	/nfs/dbraw/zinc/16/45/76/170164576.db2.gz	CSQQESYTVYVDKW-MRXNPFEDSA-N	1	0	283.843	4.276	40	0		CIABRO
C[N@@H+]1C=C[C@H]2c3ccccc3[C@@H](c3ccccc3)C2=C1	ZINC000006379299	170196370	/nfs/dbraw/zinc/19/63/70/170196370.db2.gz	RTYBSLQCSAMKSQ-QFBILLFUSA-N	1	0	259.352	4.259	40	0		CIABRO
CC(C)n1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1	ZINC000007343619	170277875	/nfs/dbraw/zinc/27/78/75/170277875.db2.gz	QHQYNWJCUYEWCA-AWEZNQCLSA-N	1	0	271.408	4.164	40	0		CIABRO
CC[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000020158524	171040191	/nfs/dbraw/zinc/04/01/91/171040191.db2.gz	NCMRXXXOQPRZDX-UHFFFAOYSA-N	1	0	270.159	4.363	40	0		CIABRO
Cc1ccc2oc([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1	ZINC000035446478	172202603	/nfs/dbraw/zinc/20/26/03/172202603.db2.gz	POVMGMWQKIJOMC-AWEZNQCLSA-N	1	0	284.403	4.258	40	0	biogenic,in-vitro	CIABRO
C[N@@H+]1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1	ZINC000072357520	176376027	/nfs/dbraw/zinc/37/60/27/176376027.db2.gz	PZOUCXRZSVBLJC-KRWDZBQOSA-N	1	0	286.806	4.093	40	0		CIABRO
C[N@H+](Cc1c2cccnc2[nH]c1C1CC1)C1CCCCC1	ZINC000072393356	176394442	/nfs/dbraw/zinc/39/44/42/176394442.db2.gz	RRNJHZOMZXSCGA-UHFFFAOYSA-N	1	0	283.419	4.205	40	0		CIABRO
CC(C)n1c2ccccc2nc1C[N@H+](C)C1CCCCC1	ZINC000076556428	177037885	/nfs/dbraw/zinc/03/78/85/177037885.db2.gz	REDNBFGTECLWPH-UHFFFAOYSA-N	1	0	285.435	4.382	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(SCC)nc1	ZINC000072217139	567921325	/nfs/dbraw/zinc/92/13/25/567921325.db2.gz	YEBIMRSTZKJZLH-CQSZACIVSA-N	1	0	264.438	4.131	40	0		CIABRO
c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1	ZINC000049168907	560084818	/nfs/dbraw/zinc/08/48/18/560084818.db2.gz	VIAWQQIRDZIPNF-HNNXBMFYSA-N	1	0	294.423	4.286	40	0	biogenic,in-vitro	CIABRO
CCC[C@@H](C(=O)c1cccc2ccccc21)[NH+]1CCCC1	ZINC000035823447	566977207	/nfs/dbraw/zinc/97/72/07/566977207.db2.gz	PDYIKONOBSBEMS-SFHVURJKSA-N	1	0	281.399	4.287	40	0	in-vitro	CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N[C@H](C)CC	ZINC000108368527	567103602	/nfs/dbraw/zinc/10/36/02/567103602.db2.gz	RFGGRYKJUZNIIN-GDBMZVCRSA-N	1	0	275.440	4.229	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1cccnc1N[C@H](C)CC	ZINC000108368532	567104187	/nfs/dbraw/zinc/10/41/87/567104187.db2.gz	RFGGRYKJUZNIIN-ZBFHGGJFSA-N	1	0	275.440	4.229	40	0		CIABRO
Brc1ccc([C@@H]2C[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000217799551	567176580	/nfs/dbraw/zinc/17/65/80/567176580.db2.gz	YOAAWXGZILTNEY-HIFRSBDPSA-N	1	0	294.236	4.039	40	0		CIABRO
CC[NH+](CC)CCCOc1ccccc1Cc1ccccc1	ZINC000003635838	567180382	/nfs/dbraw/zinc/18/03/82/567180382.db2.gz	QRCOLSSPXTYWKA-UHFFFAOYSA-N	1	0	297.442	4.388	40	0		CIABRO
CC[NH+](CC)Cc1cc(C(C)C)c(O)c(C(C)C)c1	ZINC000000167663	567821090	/nfs/dbraw/zinc/82/10/90/567821090.db2.gz	UZDAHSUNXJKTEG-UHFFFAOYSA-N	1	0	263.425	4.481	40	0		CIABRO
O[C@@H](C[C@H]1CCCC[NH2+]1)c1ccc2c(c1)oc1ccccc12	ZINC000001580917	567838314	/nfs/dbraw/zinc/83/83/14/567838314.db2.gz	LKHZVNUBYURFCB-PBHICJAKSA-N	1	0	295.382	4.152	40	0	in-vitro	CIABRO
CC(=O)[C@@](CC[NH+](C)C)(c1ccccc1)C1CCCCC1	ZINC000001593574	567839021	/nfs/dbraw/zinc/83/90/21/567839021.db2.gz	OZVIMGCKCYUQDB-IBGZPJMESA-N	1	0	287.447	4.045	40	0		CIABRO
CC1CC[NH+]([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1	ZINC000001666025	567840681	/nfs/dbraw/zinc/84/06/81/567840681.db2.gz	CKMLQILTWMWZQS-UXHICEINSA-N	1	0	295.426	4.193	40	0		CIABRO
Cc1ccc2nc(C[n+]3cccc4ccccc43)ccc2c1	ZINC000001666637	567840732	/nfs/dbraw/zinc/84/07/32/567840732.db2.gz	YIUOJEAUHGIASQ-UHFFFAOYSA-N	1	0	285.370	4.032	40	0		CIABRO
CC(C)[NH+](CCOC(=O)Nc1ccc(Cl)cc1)C(C)C	ZINC000001671719	567840984	/nfs/dbraw/zinc/84/09/84/567840984.db2.gz	MOULRGOLABYCPY-UHFFFAOYSA-N	1	0	298.814	4.007	40	0		CIABRO
CC[NH+](CC)C[C@@H](c1ccccc1)[C@@](C)(O)c1ccccc1	ZINC000001671257	567841189	/nfs/dbraw/zinc/84/11/89/567841189.db2.gz	GCIBOJXSMDTOSE-PMACEKPBSA-N	1	0	297.442	4.020	40	0		CIABRO
CCC[C@H](C(=O)OCC[N@@H+]1CCCC1(C)C)C1CCCC1	ZINC000001680701	567841506	/nfs/dbraw/zinc/84/15/06/567841506.db2.gz	HXFJNSFVVSEVMC-INIZCTEOSA-N	1	0	295.467	4.011	40	0		CIABRO
C[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2[C@H]3CC=CC[C@@H]3C[N@@H+]21	ZINC000004026702	567854980	/nfs/dbraw/zinc/85/49/80/567854980.db2.gz	PVBRJYQZDMXBMF-VYGYDYRJSA-N	1	0	278.399	4.052	40	0		CIABRO
Cc1cnccc1C[NH2+][C@@H]1[C@H]2CCC[C@@H]2[C@H]1c1ccccc1	ZINC000019239544	567877124	/nfs/dbraw/zinc/87/71/24/567877124.db2.gz	GAOIPVOSZLYRCS-VNTMZGSJSA-N	1	0	292.426	4.062	40	0		CIABRO
C[C@@H](c1ccccc1)N1CC[NH+]([C@@H](C)c2ccccc2)CC1	ZINC000019366647	567877467	/nfs/dbraw/zinc/87/74/67/567877467.db2.gz	FQNIOAVLCZLWON-ROUUACIJSA-N	1	0	294.442	4.126	40	0	in-vitro	CIABRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(C)c(C)c2)on1	ZINC000019214034	567877639	/nfs/dbraw/zinc/87/76/39/567877639.db2.gz	XKIVJOXSMSIFRJ-PKOBYXMFSA-N	1	0	298.430	4.101	40	0		CIABRO
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccc(F)c2)on1	ZINC000019120294	567877640	/nfs/dbraw/zinc/87/76/40/567877640.db2.gz	BMXZDCKZCPIAER-MRXNPFEDSA-N	1	0	288.366	4.239	40	0		CIABRO
C[C@H](c1ccco1)[N@H+](C)Cc1cccc2ncccc12	ZINC000019459642	567878030	/nfs/dbraw/zinc/87/80/30/567878030.db2.gz	DOVXRGHDBAQQLF-CYBMUJFWSA-N	1	0	266.344	4.021	40	0		CIABRO
[NH3+][C@@H](c1cccs1)c1ccc(Cl)c(Cl)c1	ZINC000019842114	567879031	/nfs/dbraw/zinc/87/90/31/567879031.db2.gz	IPWBAFUNRJAARV-LLVKDONJSA-N	1	0	258.173	4.103	40	0		CIABRO
CC[C@@]12C=CC[N@@H+](C1)CCc1c3ccccc3[nH]c1/C=C\2	ZINC000031841393	567885242	/nfs/dbraw/zinc/88/52/42/567885242.db2.gz	MSGYVJRBNLKUPF-BLRBJFNZSA-N	1	0	278.399	4.005	40	0		CIABRO
c1ccc(-c2[nH]c3ccccc3c2[C@@H]2CCC[NH2+]2)cc1	ZINC000073641568	567890395	/nfs/dbraw/zinc/89/03/95/567890395.db2.gz	CMKZJWXXYLZKDV-INIZCTEOSA-N	1	0	262.356	4.259	40	0		CIABRO
C[NH+](C)Cc1c(N)cc2ccccc2c1-c1ccccc1	ZINC000000033940	567901603	/nfs/dbraw/zinc/90/16/03/567901603.db2.gz	ZWMCYCATSLLUIN-UHFFFAOYSA-N	1	0	276.383	4.151	40	0		CIABRO
CC(=O)[N+]1=C(c2ccccc2)C[C@H](C=Cc2ccccc2)N1	ZINC000003092796	567915546	/nfs/dbraw/zinc/91/55/46/567915546.db2.gz	BOEVEZBGYSNUNV-PKMDAXGDSA-N	1	0	291.374	4.225	40	0		CIABRO
Cc1cncc([C@H]2CCCC[N@@H+]2Cc2ccccc2)c1	ZINC000072211367	567917424	/nfs/dbraw/zinc/91/74/24/567917424.db2.gz	VTGRMLATXXBCTQ-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1	ZINC000072211575	567917682	/nfs/dbraw/zinc/91/76/82/567917682.db2.gz	IYSXPDKZUKCESM-CYBMUJFWSA-N	1	0	297.240	4.027	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(CC)CC	ZINC000072212921	567918050	/nfs/dbraw/zinc/91/80/50/567918050.db2.gz	MIJDXJBCHQVLDY-KRWDZBQOSA-N	1	0	289.467	4.255	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212036	567918158	/nfs/dbraw/zinc/91/81/58/567918158.db2.gz	MQVQFLNUOYKTIZ-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NCCC	ZINC000072213159	567918280	/nfs/dbraw/zinc/91/82/80/567918280.db2.gz	UYZGDBCKWJBGJT-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
CCCNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213217	567918402	/nfs/dbraw/zinc/91/84/02/567918402.db2.gz	REAHHVAQKSALPV-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213546	567918798	/nfs/dbraw/zinc/91/87/98/567918798.db2.gz	IOTUCYFNAHBCEW-DOTOQJQBSA-N	1	0	289.467	4.475	40	0		CIABRO
CCCCNc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213662	567918832	/nfs/dbraw/zinc/91/88/32/567918832.db2.gz	MSPDDRAIOZEXCA-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CC(C)CNc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072213337	567919069	/nfs/dbraw/zinc/91/90/69/567919069.db2.gz	ZHHHXKJFTRZKNI-QGZVFWFLSA-N	1	0	289.467	4.333	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C	ZINC000072213400	567919240	/nfs/dbraw/zinc/91/92/40/567919240.db2.gz	ACSATDVVRYUGTA-GOEBONIOSA-N	1	0	275.440	4.085	40	0		CIABRO
CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1CCC	ZINC000072213616	567919336	/nfs/dbraw/zinc/91/93/36/567919336.db2.gz	JAYLNVGHIBCCFX-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
C[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1	ZINC000072217286	567919458	/nfs/dbraw/zinc/91/94/58/567919458.db2.gz	BDMYZWIPZQZZMY-OAHLLOKOSA-N	1	0	276.449	4.273	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214095	567919719	/nfs/dbraw/zinc/91/97/19/567919719.db2.gz	OVSZMZSCQHKXNY-KRWDZBQOSA-N	1	0	281.403	4.372	40	0		CIABRO
CN(c1ccccc1)c1ncccc1[C@H]1CCCC[N@@H+]1C	ZINC000072214272	567919793	/nfs/dbraw/zinc/91/97/93/567919793.db2.gz	IUDDEPOESKFJEW-QGZVFWFLSA-N	1	0	281.403	4.006	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1ccc(SC(C)(C)C)nc1	ZINC000072217353	567919819	/nfs/dbraw/zinc/91/98/19/567919819.db2.gz	BDCHRZCUVIALPN-ZDUSSCGKSA-N	1	0	264.438	4.129	40	0		CIABRO
C[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1	ZINC000072217226	567919896	/nfs/dbraw/zinc/91/98/96/567919896.db2.gz	QLARKBLXKUSQLO-OAHLLOKOSA-N	1	0	276.449	4.273	40	0		CIABRO
CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)c1ccccc1	ZINC000072214249	567920073	/nfs/dbraw/zinc/92/00/73/567920073.db2.gz	OMHYRQDHBZYPQT-QGZVFWFLSA-N	1	0	281.403	4.006	40	0		CIABRO
c1ccc(Sc2ncccc2[C@H]2CCCC[NH2+]2)cc1	ZINC000072217674	567920283	/nfs/dbraw/zinc/92/02/83/567920283.db2.gz	XJAAEVGFKHWCEL-OAHLLOKOSA-N	1	0	270.401	4.047	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1	ZINC000072217615	567920583	/nfs/dbraw/zinc/92/05/83/567920583.db2.gz	DOZGVSSATDOBGF-MRXNPFEDSA-N	1	0	284.428	4.390	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCCCCC1	ZINC000072216704	567920793	/nfs/dbraw/zinc/92/07/93/567920793.db2.gz	HJIAKZWWKKXNGK-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1c[nH]c(=S)c(C)c1	ZINC000072218285	567920947	/nfs/dbraw/zinc/92/09/47/567920947.db2.gz	DHTOVTUIBJMWLV-AWEZNQCLSA-N	1	0	264.438	4.006	40	0		CIABRO
CNc1ncc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C	ZINC000072219007	567921478	/nfs/dbraw/zinc/92/14/78/567921478.db2.gz	HNOWLWNOSXATHU-GOSISDBHSA-N	1	0	295.430	4.159	40	0		CIABRO
COc1cccc(OC)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072221409	567921620	/nfs/dbraw/zinc/92/16/20/567921620.db2.gz	CYYZASICFWQTOO-INIZCTEOSA-N	1	0	297.398	4.041	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1cnc2ccccc2c1	ZINC000072219588	567921744	/nfs/dbraw/zinc/92/17/44/567921744.db2.gz	RKEHZDTZGWZMLB-SFHVURJKSA-N	1	0	268.404	4.418	40	0		CIABRO
Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1Oc1ccccc1	ZINC000072222129	567922029	/nfs/dbraw/zinc/92/20/29/567922029.db2.gz	NJSMBGIDNHHXQG-SFHVURJKSA-N	1	0	290.366	4.230	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc2ncccc2c1	ZINC000072221790	567922033	/nfs/dbraw/zinc/92/20/33/567922033.db2.gz	DXBJCACWQJSISS-QGZVFWFLSA-N	1	0	254.377	4.028	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@@H]1c1ccc2ncccc2c1	ZINC000072221807	567922036	/nfs/dbraw/zinc/92/20/36/567922036.db2.gz	UWQMFHCFCQEXEE-QGZVFWFLSA-N	1	0	254.377	4.170	40	0		CIABRO
CCCN(CCC)c1ncc([C@@H]([NH3+])c2ccccc2)cc1C	ZINC000072222259	567922069	/nfs/dbraw/zinc/92/20/69/567922069.db2.gz	XMLWPZJFOCEEPE-SFHVURJKSA-N	1	0	297.446	4.065	40	0		CIABRO
c1cc([C@H]2CCCC[N@H+]2Cc2ccccc2)cs1	ZINC000072221700	567922349	/nfs/dbraw/zinc/92/23/49/567922349.db2.gz	CYOUWRXQLIHQAZ-MRXNPFEDSA-N	1	0	257.402	4.475	40	0		CIABRO
Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1Nc1ccccc1	ZINC000072222286	567922396	/nfs/dbraw/zinc/92/23/96/567922396.db2.gz	RWNMZUBTIRTPGP-SFHVURJKSA-N	1	0	289.382	4.182	40	0		CIABRO
Cc1cc(SC(C)(C)C)ncc1[C@H]([NH3+])c1ccccc1	ZINC000072223872	567922561	/nfs/dbraw/zinc/92/25/61/567922561.db2.gz	OURJZGZVUCPSIX-MRXNPFEDSA-N	1	0	286.444	4.329	40	0		CIABRO
CCC[n+]1cccc(-c2nc3c(cccc3Cl)s2)c1	ZINC000226776667	567929273	/nfs/dbraw/zinc/92/92/73/567929273.db2.gz	HTQMEJWLZZKXDI-UHFFFAOYSA-N	1	0	289.811	4.314	40	0		CIABRO
[NH3+][C@H]1C[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000070452868	567930826	/nfs/dbraw/zinc/93/08/26/567930826.db2.gz	JCLUCLDXBZZIJD-KWQFWETISA-N	1	0	268.143	4.068	40	0		CIABRO
CC1=CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H]2C1	ZINC000004024696	567932293	/nfs/dbraw/zinc/93/22/93/567932293.db2.gz	KQDDHWGHKMLCGS-CRFBAAHOSA-N	1	0	278.399	4.053	40	0		CIABRO
C[NH2+][C@@H](Cc1ccccc1)c1cccc2ccccc21	ZINC000001595162	567937397	/nfs/dbraw/zinc/93/73/97/567937397.db2.gz	SUXCUUNBRCDDOV-IBGZPJMESA-N	1	0	261.368	4.343	40	0		CIABRO
C[C@@H]1CC[C@@H](C)N1c1ccc(N2CCCCCC2)c(N)c1	ZINC000008701425	567939048	/nfs/dbraw/zinc/93/90/48/567939048.db2.gz	QJLFVPBZBLWBRE-HUUCEWRRSA-N	1	0	287.451	4.026	40	0		CIABRO
c1ccc([C@H]2C[N@@H+](C[C@H]3CCOC3)CC23CCCCC3)cc1	ZINC000019370014	567944902	/nfs/dbraw/zinc/94/49/02/567944902.db2.gz	ZGWSSYPZWUXYCD-IEBWSBKVSA-N	1	0	299.458	4.073	40	0		CIABRO
CCCC[NH2+]Cc1cccn1-c1cccc(Cl)c1C	ZINC000223685552	567950243	/nfs/dbraw/zinc/95/02/43/567950243.db2.gz	RANPQRWLLSWHLO-UHFFFAOYSA-N	1	0	276.811	4.329	40	0		CIABRO
CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C	ZINC000223770692	567950780	/nfs/dbraw/zinc/95/07/80/567950780.db2.gz	HYUDCWAKIQCXTM-ZDUSSCGKSA-N	1	0	288.435	4.162	40	0		CIABRO
c1ccc([C@@H]2[NH2+][C@H]3CCCC[C@H]3Nc3ccccc32)cc1	ZINC000255189597	570323216	/nfs/dbraw/zinc/32/32/16/570323216.db2.gz	QYIKVXFZSNMBBZ-QYZOEREBSA-N	1	0	278.399	4.102	40	0		CIABRO
Cc1ccc([C@H]([NH3+])c2ccc(Cl)cc2Cl)cc1	ZINC000019804212	570335338	/nfs/dbraw/zinc/33/53/38/570335338.db2.gz	CEFQOHBALNYSIL-AWEZNQCLSA-N	1	0	266.171	4.350	40	0		CIABRO
Brc1ccc(C[NH2+]C2CCC2)c2ccccc12	ZINC000085390831	179047664	/nfs/dbraw/zinc/04/76/64/179047664.db2.gz	AVZJIFIAKWDEQX-UHFFFAOYSA-N	1	0	290.204	4.244	40	0		CIABRO
Brc1ccc(C[NH2+]CC2CC2)c2ccccc12	ZINC000085391235	179048158	/nfs/dbraw/zinc/04/81/58/179048158.db2.gz	ZIKRXZZDIWLVGZ-UHFFFAOYSA-N	1	0	290.204	4.102	40	0		CIABRO
[NH3+][C@H](c1ccccc1)c1ccc(OCc2ccccc2)cc1	ZINC000090587171	180009382	/nfs/dbraw/zinc/00/93/82/180009382.db2.gz	HIAADRGSMSQTFX-HXUWFJFHSA-N	1	0	289.378	4.314	40	0		CIABRO
CC(C)C[NH2+][C@@H](C)c1ccccc1OC1CCCC1	ZINC000225159305	189744526	/nfs/dbraw/zinc/74/45/26/189744526.db2.gz	DSMSHQUUTMACJA-AWEZNQCLSA-N	1	0	261.409	4.315	40	0		CIABRO
CCCC[NH2+][C@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225168522	189745175	/nfs/dbraw/zinc/74/51/75/189745175.db2.gz	JTSPNZPSXULYFA-CQSZACIVSA-N	1	0	261.409	4.459	40	0		CIABRO
CCCN(CCC)c1cc(C)c([C@H]([NH3+])c2ccccc2)cn1	ZINC000072223297	256704858	/nfs/dbraw/zinc/70/48/58/256704858.db2.gz	AARCASNACLAEFM-LJQANCHMSA-N	1	0	297.446	4.065	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1C	ZINC000072217924	256708273	/nfs/dbraw/zinc/70/82/73/256708273.db2.gz	JWZAATCXMVEBKG-CQSZACIVSA-N	1	0	266.816	4.371	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1	ZINC000072214154	256711387	/nfs/dbraw/zinc/71/13/87/256711387.db2.gz	KQATWIICTQTCPO-QGZVFWFLSA-N	1	0	281.403	4.372	40	0		CIABRO
C[C@H]([NH3+])[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000001748032	169754405	/nfs/dbraw/zinc/75/44/05/169754405.db2.gz	YFIZFZIGRLVARQ-BLLLJJGKSA-N	1	0	259.780	4.014	40	0		CIABRO
C[C@@H](COc1ccc(/C=C\c2ccccc2)cc1)C[NH+](C)C	ZINC000004721059	170004797	/nfs/dbraw/zinc/00/47/97/170004797.db2.gz	FUIKNPYIDOJTAD-DOOKAGJSSA-N	1	0	295.426	4.434	40	0		CIABRO
C[n+]1ccc(/C=C/c2ccc(-c3ccccc3)cc2)cc1	ZINC000005002279	170053505	/nfs/dbraw/zinc/05/35/05/170053505.db2.gz	RYSNKIMQLZXNNK-BQYQJAHWSA-N	1	0	272.371	4.349	40	0		CIABRO
C[N@@H+]1Cc2ccccc2C1(c1ccccc1)c1ccccc1	ZINC000005082129	170064849	/nfs/dbraw/zinc/06/48/49/170064849.db2.gz	KCHYSZLVOBCLHT-UHFFFAOYSA-N	1	0	285.390	4.424	40	0		CIABRO
CC[n+]1ccc(/C=C\c2c(Cl)cccc2Cl)cc1	ZINC000005159177	170072382	/nfs/dbraw/zinc/07/23/82/170072382.db2.gz	ZQLZPQSDPYUPLW-SREVYHEPSA-N	1	0	279.190	4.471	40	0		CIABRO
CCCC[NH+](CCCC)CCP(=O)(OCC)OCC	ZINC000005328612	170085732	/nfs/dbraw/zinc/08/57/32/170085732.db2.gz	QYXJWQHLESOQAO-UHFFFAOYSA-N	1	0	293.388	4.155	40	0		CIABRO
C[N+]1=C(/C=C\c2ccccc2)C(C)(C)c2ccccc21	ZINC000008614633	170342900	/nfs/dbraw/zinc/34/29/00/170342900.db2.gz	NVJYNEMQOGAFIY-YPKPFQOOSA-N	1	0	262.376	4.406	40	0		CIABRO
CC[NH2+]Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000020158554	171039781	/nfs/dbraw/zinc/03/97/81/171039781.db2.gz	PTHAAOWEOQADJD-UHFFFAOYSA-N	1	0	270.159	4.363	40	0		CIABRO
C[C@@]12CC=CC[C@]1(C)C[N@@H+]1CCc3c4ccccc4[nH]c3[C@H]12	ZINC000022114787	171352896	/nfs/dbraw/zinc/35/28/96/171352896.db2.gz	IAKRGBANZNSMTD-ZCNNSNEGSA-N	1	0	292.426	4.443	40	0		CIABRO
Cc1ccc(/C(Cl)=C/C=[N+]2CCCCCC2)cc1	ZINC000035586078	172284961	/nfs/dbraw/zinc/28/49/61/172284961.db2.gz	VFCFUEFOIDRMSP-YBEGLDIGSA-N	1	0	262.804	4.232	40	0		CIABRO
Fc1cccc(CC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000038960741	174160440	/nfs/dbraw/zinc/16/04/40/174160440.db2.gz	ZLGYHOVHGNJYCV-UHFFFAOYSA-N	1	0	283.390	4.280	40	0		CIABRO
C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1	ZINC000072348562	176373911	/nfs/dbraw/zinc/37/39/11/176373911.db2.gz	ZEOQZMRBSALOFV-CQSZACIVSA-N	1	0	286.806	4.211	40	0		CIABRO
C[N@@H+]1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1	ZINC000072357521	176376052	/nfs/dbraw/zinc/37/60/52/176376052.db2.gz	KGAHVZZLMUUGDR-QGZVFWFLSA-N	1	0	286.806	4.093	40	0		CIABRO
c1ccc2oc([C@H]3CC[N@@H+](CC4CCCCC4)C3)nc2c1	ZINC000049168862	560084784	/nfs/dbraw/zinc/08/47/84/560084784.db2.gz	YIKAKEBFYAEXOF-HNNXBMFYSA-N	1	0	284.403	4.197	40	0	biogenic,in-vitro	CIABRO
CCC[C@@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C	ZINC000242548064	567194472	/nfs/dbraw/zinc/19/44/72/567194472.db2.gz	LBCDYEYYVRLZEA-OCCSQVGLSA-N	1	0	290.407	4.000	40	0		CIABRO
CCC[NH2+]CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000167791810	567213550	/nfs/dbraw/zinc/21/35/50/567213550.db2.gz	OIKPXEKBLAHRJP-UHFFFAOYSA-N	1	0	299.258	4.266	40	0		CIABRO
Cn1c2ccccc2c2c1[C@@H]1C[C@H]3CCCC[C@@H]3C[N@@H+]1CC2	ZINC000001481879	567837533	/nfs/dbraw/zinc/83/75/33/567837533.db2.gz	SNMPZBCEJSLAEK-CLCXKQKWSA-N	1	0	294.442	4.288	40	0		CIABRO
O[C@@H](CC[NH2+]Cc1ccccc1)c1ccc2ccccc2c1	ZINC000001602614	567839499	/nfs/dbraw/zinc/83/94/99/567839499.db2.gz	OADCVBKJWZYKEE-FQEVSTJZSA-N	1	0	291.394	4.053	40	0		CIABRO
Cc1ccc2cccnc2c1NCCCCC[NH2+]C(C)C	ZINC000001653187	567840447	/nfs/dbraw/zinc/84/04/47/567840447.db2.gz	UYTFXTDVSUDMEH-UHFFFAOYSA-N	1	0	285.435	4.123	40	0		CIABRO
COc1ccc([C@@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000001667061	567840665	/nfs/dbraw/zinc/84/06/65/567840665.db2.gz	GNHJGDPAHWFGQN-HXUWFJFHSA-N	1	0	295.426	4.465	40	0		CIABRO
Cc1cc2ccccc2c[n+]1CCCc1ccccc1	ZINC000001667634	567840727	/nfs/dbraw/zinc/84/07/27/567840727.db2.gz	IHGUPJLZGOMRGE-UHFFFAOYSA-N	1	0	262.376	4.069	40	0		CIABRO
C[NH2+]CCC[C@@]1(c2ccccc2)OC(C)(C)c2ccccc21	ZINC000001686103	567841422	/nfs/dbraw/zinc/84/14/22/567841422.db2.gz	LJBBMCNHIUJBDU-FQEVSTJZSA-N	1	0	295.426	4.195	40	0	in-man	CIABRO
c1ccc(C[C@@H](c2ccccc2)[NH+]2CCCCC2)cc1	ZINC000002012959	567844078	/nfs/dbraw/zinc/84/40/78/567844078.db2.gz	JQWJJJYHVHNXJH-IBGZPJMESA-N	1	0	265.400	4.456	40	0	in-vitro	CIABRO
CCC[NH+](CCC)C[C@@H](O)c1ccc2cccc3c2c1CC3	ZINC000002042636	567844421	/nfs/dbraw/zinc/84/44/21/567844421.db2.gz	ANBPAJXEMOXNBJ-LJQANCHMSA-N	1	0	297.442	4.094	40	0		CIABRO
O=C1CCCCCCCCCC[C@@H]1C[NH+]1CCCC1	ZINC000003593385	567853249	/nfs/dbraw/zinc/85/32/49/567853249.db2.gz	RNGQBZYBBHZFLZ-MRXNPFEDSA-N	1	0	265.441	4.182	40	0		CIABRO
C[C@H]1C(O)[C@@H](C)[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000004119596	567855443	/nfs/dbraw/zinc/85/54/43/567855443.db2.gz	TUHNPNHADQMPAJ-GCTVEYNFSA-N	1	0	295.426	4.048	40	0		CIABRO
Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2cccc(F)c2)on1	ZINC000019120291	567877423	/nfs/dbraw/zinc/87/74/23/567877423.db2.gz	BMXZDCKZCPIAER-INIZCTEOSA-N	1	0	288.366	4.239	40	0		CIABRO
c1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2ccncc2)cc1	ZINC000019373885	567877880	/nfs/dbraw/zinc/87/78/80/567877880.db2.gz	HHQIZBCPNJJMHI-FYQPLNBISA-N	1	0	292.426	4.144	40	0		CIABRO
CC[C@]12C=CC[N@@H+](C1)CCc1c3ccccc3[nH]c1/C=C\2	ZINC000031841396	567885323	/nfs/dbraw/zinc/88/53/23/567885323.db2.gz	MSGYVJRBNLKUPF-UFUQCMIWSA-N	1	0	278.399	4.005	40	0		CIABRO
Cc1c2cc(Cl)cc(C[NH3+])c2[nH]c1-c1ccccc1	ZINC000036624804	567889783	/nfs/dbraw/zinc/88/97/83/567889783.db2.gz	MXHTYBSQQIKNLI-UHFFFAOYSA-N	1	0	270.763	4.255	40	0		CIABRO
CC(C)[C@H]([NH3+])c1cc2ccccc2n1C(=O)OC(C)(C)C	ZINC000096509787	567897439	/nfs/dbraw/zinc/89/74/39/567897439.db2.gz	YCWDCLHLZSSMOL-HNNXBMFYSA-N	1	0	288.391	4.080	40	0		CIABRO
C[C@H]1C(O)[C@@H](C)[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000101840492	567915105	/nfs/dbraw/zinc/91/51/05/567915105.db2.gz	TUHNPNHADQMPAJ-ZXPBAKGESA-N	1	0	295.426	4.048	40	0		CIABRO
Clc1ncccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072211489	567917447	/nfs/dbraw/zinc/91/74/47/567917447.db2.gz	FGLLZCHCONWYJZ-HNNXBMFYSA-N	1	0	272.779	4.072	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1OCc1ccccc1	ZINC000072212081	567918350	/nfs/dbraw/zinc/91/83/50/567918350.db2.gz	UNLIHKPHSQPLAB-SFHVURJKSA-N	1	0	296.414	4.208	40	0		CIABRO
CCN(CC)c1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072212918	567918608	/nfs/dbraw/zinc/91/86/08/567918608.db2.gz	YYFGENYZKFURPR-KRWDZBQOSA-N	1	0	289.467	4.111	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1cccnc1Oc1ccccc1	ZINC000072212191	567918625	/nfs/dbraw/zinc/91/86/25/567918625.db2.gz	IHSCRMUSJRTYHN-INIZCTEOSA-N	1	0	268.360	4.031	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213434	567918989	/nfs/dbraw/zinc/91/89/89/567918989.db2.gz	XOAVLONQJKSDTM-DOTOQJQBSA-N	1	0	289.467	4.475	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC(C)C)nc1	ZINC000072213338	567919011	/nfs/dbraw/zinc/91/90/11/567919011.db2.gz	XQMUXCIGEIKUFY-QGZVFWFLSA-N	1	0	289.467	4.477	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCC1	ZINC000072213922	567919144	/nfs/dbraw/zinc/91/91/44/567919144.db2.gz	QHBDYZZMZLIGRG-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213963	567919192	/nfs/dbraw/zinc/91/91/92/567919192.db2.gz	ILYRICHPSJFDGG-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213976	567919291	/nfs/dbraw/zinc/91/92/91/567919291.db2.gz	ILINSSSWJKBTEJ-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1NC1CCCCC1	ZINC000072214017	567919350	/nfs/dbraw/zinc/91/93/50/567919350.db2.gz	SREZSWRECUTNQX-QGZVFWFLSA-N	1	0	287.451	4.372	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C	ZINC000072217436	567919479	/nfs/dbraw/zinc/91/94/79/567919479.db2.gz	JJZPAGYJRFRBHR-CYBMUJFWSA-N	1	0	264.438	4.129	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1	ZINC000072214214	567919927	/nfs/dbraw/zinc/91/99/27/567919927.db2.gz	PHJZIAMBCPVQSW-GOSISDBHSA-N	1	0	295.430	4.396	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1	ZINC000072217675	567920314	/nfs/dbraw/zinc/92/03/14/567920314.db2.gz	WKWDICJWXLHALK-MRXNPFEDSA-N	1	0	284.428	4.390	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216062	567920465	/nfs/dbraw/zinc/92/04/65/567920465.db2.gz	NJGGEYZVZGKKKW-QGZVFWFLSA-N	1	0	287.451	4.007	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216063	567920547	/nfs/dbraw/zinc/92/05/47/567920547.db2.gz	NJGGEYZVZGKKKW-KRWDZBQOSA-N	1	0	287.451	4.007	40	0		CIABRO
Cc1cc([C@H]2CCCC[N@H+]2CC(C)C)cnc1Cl	ZINC000072217803	567920646	/nfs/dbraw/zinc/92/06/46/567920646.db2.gz	MQOBRNQCYGZBCR-CQSZACIVSA-N	1	0	266.816	4.226	40	0		CIABRO
COc1cccc(OC)c1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072221410	567921650	/nfs/dbraw/zinc/92/16/50/567921650.db2.gz	CYYZASICFWQTOO-MRXNPFEDSA-N	1	0	297.398	4.041	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1	ZINC000072219583	567921853	/nfs/dbraw/zinc/92/18/53/567921853.db2.gz	YAJPBAZKYBDVLZ-QGZVFWFLSA-N	1	0	254.377	4.172	40	0		CIABRO
CC[C@@H]([NH3+])c1cnc(SCc2ccccc2)c(C)c1	ZINC000072222418	567922342	/nfs/dbraw/zinc/92/23/42/567922342.db2.gz	POZVQAAXPQOPRK-OAHLLOKOSA-N	1	0	272.417	4.092	40	0		CIABRO
Cc1cc(SC(C)(C)C)ncc1[C@@H]([NH3+])c1ccccc1	ZINC000072223873	567922593	/nfs/dbraw/zinc/92/25/93/567922593.db2.gz	OURJZGZVUCPSIX-INIZCTEOSA-N	1	0	286.444	4.329	40	0		CIABRO
Cc1nc(SC(C)(C)C)ccc1[C@@H]([NH3+])c1ccccc1	ZINC000072224915	567922816	/nfs/dbraw/zinc/92/28/16/567922816.db2.gz	SRTSHBSZGUYULV-INIZCTEOSA-N	1	0	286.444	4.329	40	0		CIABRO
[NH3+][C@H]1C[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000070452867	567930786	/nfs/dbraw/zinc/93/07/86/567930786.db2.gz	JCLUCLDXBZZIJD-KCJUWKMLSA-N	1	0	268.143	4.068	40	0		CIABRO
[NH2+]=C(c1ccccc1)c1ccccc1C(=O)c1ccccc1	ZINC000016968770	567934359	/nfs/dbraw/zinc/93/43/59/567934359.db2.gz	ODCMXZNPSNFHIR-UHFFFAOYSA-N	1	0	285.346	4.334	40	0		CIABRO
CCOP(=O)(OCC)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1	ZINC000031938883	567944025	/nfs/dbraw/zinc/94/40/25/567944025.db2.gz	QDXIXULSRHVBCZ-AWEZNQCLSA-N	1	0	299.351	4.208	40	0		CIABRO
CC(C)c1[nH]c2ncccc2c1C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000057467274	567948206	/nfs/dbraw/zinc/94/82/06/567948206.db2.gz	MBPAYKWAGVAOKS-OKILXGFUSA-N	1	0	285.435	4.164	40	0		CIABRO
CCCC[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C	ZINC000223662203	567950321	/nfs/dbraw/zinc/95/03/21/567950321.db2.gz	SHMORRIKEWZOKC-UHFFFAOYSA-N	1	0	284.447	4.351	40	0		CIABRO
COc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2CC(C)C	ZINC000223768980	567950531	/nfs/dbraw/zinc/95/05/31/567950531.db2.gz	WHWAOYWHWSAYFH-UHFFFAOYSA-N	1	0	288.435	4.112	40	0		CIABRO
CCC[NH2+]Cc1c2cc(OCC)ccc2n(C(C)C)c1C	ZINC000223766268	567950529	/nfs/dbraw/zinc/95/05/29/567950529.db2.gz	OBCDVPMMDNUDSW-UHFFFAOYSA-N	1	0	288.435	4.429	40	0		CIABRO
CCCCn1c(C)c(C[NH2+]CCC)c2cc(OC)ccc21	ZINC000223765891	567950787	/nfs/dbraw/zinc/95/07/87/567950787.db2.gz	KZLLWMJWSNNFGH-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(CC)c1C	ZINC000223764589	567950833	/nfs/dbraw/zinc/95/08/33/567950833.db2.gz	ZWLJDRYTNZPLSJ-CYBMUJFWSA-N	1	0	288.435	4.256	40	0		CIABRO
CCCC[NH2+][C@@H](C)c1cccc(OC2CCCC2)c1	ZINC000225163631	567952326	/nfs/dbraw/zinc/95/23/26/567952326.db2.gz	HMQVONLZXNUUJF-AWEZNQCLSA-N	1	0	261.409	4.459	40	0		CIABRO
CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCC(C)C	ZINC000225157490	567952341	/nfs/dbraw/zinc/95/23/41/567952341.db2.gz	NXAFAHNUMHAZCY-AWEZNQCLSA-N	1	0	279.424	4.008	40	0		CIABRO
CCOc1cc(C[NH2+][C@@H](C)CC)ccc1O[C@@H](C)CC	ZINC000225157582	567952356	/nfs/dbraw/zinc/95/23/56/567952356.db2.gz	FRPOAVSNAXPKFB-KBPBESRZSA-N	1	0	279.424	4.151	40	0		CIABRO
C[C@@H]1CCCN(c2c3ccccc3[nH+]c3c2CCCC3)C1	ZINC000005022732	570267701	/nfs/dbraw/zinc/26/77/01/570267701.db2.gz	MXJGARSROPGHIM-CQSZACIVSA-N	1	0	280.415	4.350	40	0		CIABRO
c1ccc([C@@H]2[NH2+][C@@H]3CCCC[C@H]3Nc3ccccc32)cc1	ZINC000255189596	570323294	/nfs/dbraw/zinc/32/32/94/570323294.db2.gz	QYIKVXFZSNMBBZ-QRVBRYPASA-N	1	0	278.399	4.102	40	0		CIABRO
c1ccc(-c2nc3cc(C[NH+]4CCCCC4)ccc3o2)cc1	ZINC000216788631	570346104	/nfs/dbraw/zinc/34/61/04/570346104.db2.gz	IGSRHPPCZCVAGF-UHFFFAOYSA-N	1	0	292.382	4.481	40	0		CIABRO
[NH3+][C@H](c1ccccc1)c1cccc(-c2ccccc2)c1	ZINC000090587169	180009622	/nfs/dbraw/zinc/00/96/22/180009622.db2.gz	VEXBAFDHQBLMHV-LJQANCHMSA-N	1	0	259.352	4.402	40	0		CIABRO
C[C@H]1CC2=C(C[C@]1(C)[C@@]1(C)[NH2+]CCO1)C(C)(C)CCC2	ZINC000105689209	186068406	/nfs/dbraw/zinc/06/84/06/186068406.db2.gz	FQJQKNKQNJSHCA-KKXDTOCCSA-N	1	0	277.452	4.265	40	0		CIABRO
CCCC[NH2+]Cc1ccc(OCCCC)c(OCC)c1	ZINC000225157067	189744571	/nfs/dbraw/zinc/74/45/71/189744571.db2.gz	BFKFIWYQPSAVDE-UHFFFAOYSA-N	1	0	279.424	4.154	40	0		CIABRO
CCCCOc1ccc(C[NH2+][C@@H](C)CC)cc1OCC	ZINC000225157316	189744699	/nfs/dbraw/zinc/74/46/99/189744699.db2.gz	MXRBOUIMCNYJIP-AWEZNQCLSA-N	1	0	279.424	4.152	40	0		CIABRO
Cc1cc(Nc2ccccc2)ncc1[C@@H]([NH3+])c1ccccc1	ZINC000072223325	256704917	/nfs/dbraw/zinc/70/49/17/256704917.db2.gz	ADWPTKFGVUYJDY-IBGZPJMESA-N	1	0	289.382	4.182	40	0		CIABRO
CC[C@H]([NH3+])c1cnc(SC2CCCCC2)c(C)c1	ZINC000072222800	256705582	/nfs/dbraw/zinc/70/55/82/256705582.db2.gz	FPUZSJYOTVPIRV-AWEZNQCLSA-N	1	0	264.438	4.225	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(Nc2ccccc2)nc1	ZINC000072214080	256711611	/nfs/dbraw/zinc/71/16/11/256711611.db2.gz	WLWHLWXLHRVQCM-KRWDZBQOSA-N	1	0	281.403	4.372	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NCCC)nc1	ZINC000072213218	256712361	/nfs/dbraw/zinc/71/23/61/256712361.db2.gz	XTSWGBZRUUDSBB-MRXNPFEDSA-N	1	0	275.440	4.231	40	0		CIABRO
FC(F)(F)c1cc([C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1	ZINC000004299179	169954999	/nfs/dbraw/zinc/95/49/99/169954999.db2.gz	GLIXFTDOFVBSQP-JTQLQIEISA-N	1	0	283.215	4.149	40	0		CIABRO
C[C@H](COc1ccc(/C=C\c2ccccc2)cc1)C[NH+](C)C	ZINC000004721058	170004912	/nfs/dbraw/zinc/00/49/12/170004912.db2.gz	FUIKNPYIDOJTAD-IBSYWUHOSA-N	1	0	295.426	4.434	40	0		CIABRO
CC[C@H](C)[NH2+]Cc1cccc(Oc2ccccc2)c1	ZINC000004926924	170041830	/nfs/dbraw/zinc/04/18/30/170041830.db2.gz	KNYJWMWPKUJWLD-AWEZNQCLSA-N	1	0	255.361	4.367	40	0		CIABRO
C[NH+](C)[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2N	ZINC000004975124	170047802	/nfs/dbraw/zinc/04/78/02/170047802.db2.gz	GYVXPIQTGVJMHH-HNNXBMFYSA-N	1	0	293.197	4.207	40	0		CIABRO
CC(C)[C@@H]([NH3+])CC(c1ccccc1)c1ccccc1	ZINC000005457752	170100957	/nfs/dbraw/zinc/10/09/57/170100957.db2.gz	CUSQLKIZSSMRDM-SFHVURJKSA-N	1	0	253.389	4.192	40	0		CIABRO
CCCC[N@@H+]1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2CC	ZINC000005553584	170112255	/nfs/dbraw/zinc/11/22/55/170112255.db2.gz	LRJBQYWDUUDHOL-QXAKKESOSA-N	1	0	287.447	4.107	40	0		CIABRO
c1[nH]c2ccccc2c1-c1ccc[n+](Cc2ccccc2)c1	ZINC000005603693	170118570	/nfs/dbraw/zinc/11/85/70/170118570.db2.gz	QRRZJGYCFCCHTK-UHFFFAOYSA-N	1	0	285.370	4.171	40	0		CIABRO
CCCCOc1ccc([C@H]([NH3+])Cc2ccccc2)cc1	ZINC000005973720	170164288	/nfs/dbraw/zinc/16/42/88/170164288.db2.gz	OWTKYQHYXVQKGV-GOSISDBHSA-N	1	0	269.388	4.108	40	0		CIABRO
CC[NH+](CC)CC[C@@H](O)c1ccc(Cl)c2ccccc21	ZINC000006382379	170196748	/nfs/dbraw/zinc/19/67/48/170196748.db2.gz	ABPLSQULVRJDCI-QGZVFWFLSA-N	1	0	291.822	4.259	40	0		CIABRO
COc1ccc([C@H](Cc2ccccc2)[NH+]2CCCCC2)cc1	ZINC000006484494	170204756	/nfs/dbraw/zinc/20/47/56/170204756.db2.gz	GNHJGDPAHWFGQN-FQEVSTJZSA-N	1	0	295.426	4.465	40	0		CIABRO
[NH3+][C@H](Cc1ccccc1)c1ccc2cccc3c2c1CC3	ZINC000006575247	170214771	/nfs/dbraw/zinc/21/47/71/170214771.db2.gz	GMCGQHHOFOMUIL-LJQANCHMSA-N	1	0	273.379	4.181	40	0		CIABRO
Cn1c2ccccc2c2c1[C@H]1C[C@@H]3CCCC[C@@H]3C[N@@H+]1CC2	ZINC000008616449	170342915	/nfs/dbraw/zinc/34/29/15/170342915.db2.gz	SNMPZBCEJSLAEK-QMTMVMCOSA-N	1	0	294.442	4.288	40	0		CIABRO
C[C@@H]1[NH2+][C@@H]2CC(C)(C)CC[C@@H]2c2c3ccccc3[nH]c21	ZINC000013382127	170547268	/nfs/dbraw/zinc/54/72/68/170547268.db2.gz	GAYOPOORDLRTFT-CORIIIEPSA-N	1	0	268.404	4.494	40	0		CIABRO
Cc1cccc(NC2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000019877061	170905538	/nfs/dbraw/zinc/90/55/38/170905538.db2.gz	SXKIHDACNICWFE-UHFFFAOYSA-N	1	0	280.415	4.072	40	0		CIABRO
Cc1cccc(C[NH2+]Cc2ccc(Br)cc2)c1	ZINC000020133835	171022259	/nfs/dbraw/zinc/02/22/59/171022259.db2.gz	JDSTZTHANWWCHH-UHFFFAOYSA-N	1	0	290.204	4.047	40	0		CIABRO
[NH3+]CC[C@H](Oc1cccc2ccccc21)c1cccs1	ZINC000034220632	171834896	/nfs/dbraw/zinc/83/48/96/171834896.db2.gz	ZMXLKLOJDLMZFC-INIZCTEOSA-N	1	0	283.396	4.370	40	0	in-vivo	CIABRO
CC[C@H](C)n1c2ccccc2nc1[C@@H]([NH3+])CC(C)C	ZINC000040163866	174196718	/nfs/dbraw/zinc/19/67/18/174196718.db2.gz	RHKKHYGEYNKWKP-STQMWFEESA-N	1	0	259.397	4.053	40	0		CIABRO
CC[C@@H](C)n1c2ccccc2nc1[C@@H]([NH3+])CC(C)C	ZINC000040163865	174196751	/nfs/dbraw/zinc/19/67/51/174196751.db2.gz	RHKKHYGEYNKWKP-OLZOCXBDSA-N	1	0	259.397	4.053	40	0		CIABRO
C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1	ZINC000072348561	176373887	/nfs/dbraw/zinc/37/38/87/176373887.db2.gz	ZEOQZMRBSALOFV-AWEZNQCLSA-N	1	0	286.806	4.211	40	0		CIABRO
CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C)c(N)c1	ZINC000218282849	566843531	/nfs/dbraw/zinc/84/35/31/566843531.db2.gz	HDVHWQMBOFNIAB-OAHLLOKOSA-N	1	0	268.404	4.160	40	0		CIABRO
C[NH2+][C@@H](Cc1ccccc1)c1ccc(OC)c2ccccc21	ZINC000001595169	566956475	/nfs/dbraw/zinc/95/64/75/566956475.db2.gz	LYSYLZHEUWFRDS-IBGZPJMESA-N	1	0	291.394	4.352	40	0		CIABRO
c1ccc(COCC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000013730114	567020904	/nfs/dbraw/zinc/02/09/04/567020904.db2.gz	CHUMPFKYVVLYMQ-UHFFFAOYSA-N	1	0	295.426	4.115	40	0		CIABRO
CCC[NH+](CCC)Cn1c2ccccc2oc1=S	ZINC000000058382	567073598	/nfs/dbraw/zinc/07/35/98/567073598.db2.gz	FLRKLNJHRNGJNJ-UHFFFAOYSA-N	1	0	264.394	4.043	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N[C@H](C)CC)nc1	ZINC000108368667	567103296	/nfs/dbraw/zinc/10/32/96/567103296.db2.gz	CZNBCILXWIZPGJ-GDBMZVCRSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C)CC)nc1	ZINC000108368644	567103979	/nfs/dbraw/zinc/10/39/79/567103979.db2.gz	PCGQIUDEOIVOLH-ZBFHGGJFSA-N	1	0	275.440	4.229	40	0		CIABRO
Cc1ccc2c(Nc3cccc(N)c3)cc[nH+]c2c1C	ZINC000064875393	567110913	/nfs/dbraw/zinc/11/09/13/567110913.db2.gz	LSQLTFRKHYNRNG-UHFFFAOYSA-N	1	0	263.344	4.177	40	0		CIABRO
[NH3+][C@H]1C[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000070452881	567117006	/nfs/dbraw/zinc/11/70/06/567117006.db2.gz	IRCAGZBVTLTZJK-ONGXEEELSA-N	1	0	268.143	4.068	40	0		CIABRO
Cc1ccccc1OC[C@H]([NH3+])c1cccc2ccccc21	ZINC000019987446	567126479	/nfs/dbraw/zinc/12/64/79/567126479.db2.gz	HAAWRMQEWFAKRN-SFHVURJKSA-N	1	0	277.367	4.227	40	0		CIABRO
CC[NH+](CC)CCCNc1ccnc2ccc(Cl)cc21	ZINC000001596764	567839125	/nfs/dbraw/zinc/83/91/25/567839125.db2.gz	HQOLGIZHDJBUTN-UHFFFAOYSA-N	1	0	291.826	4.032	40	0		CIABRO
Cc1cc2ccccc2c[n+]1Cc1ccc2ccccc2n1	ZINC000001640797	567839918	/nfs/dbraw/zinc/83/99/18/567839918.db2.gz	DUKLLJBMSQDGJM-UHFFFAOYSA-N	1	0	285.370	4.032	40	0		CIABRO
CC[NH+](CC)CCCOc1cc(C)ccc1C(C)C	ZINC000001651889	567840084	/nfs/dbraw/zinc/84/00/84/567840084.db2.gz	QGBXXDNCIBSAOU-UHFFFAOYSA-N	1	0	263.425	4.229	40	0		CIABRO
C[C@@H]1CC(c2ccccc2)(c2ccccc2)C[C@H](C)[N@H+]1C	ZINC000001682377	567841512	/nfs/dbraw/zinc/84/15/12/567841512.db2.gz	BDJNJLJMYWGCJK-CALCHBBNSA-N	1	0	279.427	4.475	40	0		CIABRO
CCCCC(C[NH3+])(c1cccs1)c1cccs1	ZINC000001679372	567841519	/nfs/dbraw/zinc/84/15/19/567841519.db2.gz	YZWLUSGKJUDTGI-UHFFFAOYSA-N	1	0	265.447	4.245	40	0		CIABRO
O=C(CC[NH+]1CCCCCC1)c1csc2ccccc12	ZINC000001701088	567842143	/nfs/dbraw/zinc/84/21/43/567842143.db2.gz	JOCRIZIJTPVTIN-UHFFFAOYSA-N	1	0	287.428	4.350	40	0		CIABRO
C[C@@H]([NH3+])[C@H](Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001848517	567843703	/nfs/dbraw/zinc/84/37/03/567843703.db2.gz	BJVISMPDLLIJQS-WBMJQRKESA-N	1	0	259.780	4.014	40	0		CIABRO
Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236382	567862504	/nfs/dbraw/zinc/86/25/04/567862504.db2.gz	KJJWCNXTZJHTRO-GOSISDBHSA-N	1	0	291.398	4.208	40	0		CIABRO
Cc1cc([C@H]2CCCCC[N@@H+]2Cc2cccs2)on1	ZINC000012337043	567862652	/nfs/dbraw/zinc/86/26/52/567862652.db2.gz	RLOUDGRFQDOSIA-CQSZACIVSA-N	1	0	276.405	4.162	40	0		CIABRO
c1ccc([C@@H]2C[N@@H+](Cc3cccnc3)CC23CCCC3)cc1	ZINC000012337395	567862665	/nfs/dbraw/zinc/86/26/65/567862665.db2.gz	KGFXIUHKCSGYRO-IBGZPJMESA-N	1	0	292.426	4.241	40	0		CIABRO
c1ccc([C@H]2C[N@@H+](Cc3cccnc3)CC23CCCC3)cc1	ZINC000012337394	567862700	/nfs/dbraw/zinc/86/27/00/567862700.db2.gz	KGFXIUHKCSGYRO-LJQANCHMSA-N	1	0	292.426	4.241	40	0		CIABRO
Cc1ccccc1C[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1C	ZINC000031946947	567885654	/nfs/dbraw/zinc/88/56/54/567885654.db2.gz	YGZCOQDFPLGMBF-LJQANCHMSA-N	1	0	290.410	4.248	40	0		CIABRO
CC(C)(C)c1ccc(Oc2cccc(C[NH3+])c2)cc1	ZINC000069329386	567905856	/nfs/dbraw/zinc/90/58/56/567905856.db2.gz	KQNSPSCVNXCGHK-UHFFFAOYSA-N	1	0	255.361	4.235	40	0		CIABRO
Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072211262	567917522	/nfs/dbraw/zinc/91/75/22/567917522.db2.gz	VHLUWTBKMZIZCC-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1Br	ZINC000072211634	567917582	/nfs/dbraw/zinc/91/75/82/567917582.db2.gz	ULJVKQQQSWCFOG-ZDUSSCGKSA-N	1	0	297.240	4.171	40	0		CIABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1	ZINC000072212215	567918164	/nfs/dbraw/zinc/91/81/64/567918164.db2.gz	KSPHDUOUEMVINH-QGZVFWFLSA-N	1	0	282.387	4.421	40	0		CIABRO
CCCNc1ccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1	ZINC000072213183	567918253	/nfs/dbraw/zinc/91/82/53/567918253.db2.gz	SNEZCSNHHJPNNR-SFHVURJKSA-N	1	0	295.430	4.241	40	0		CIABRO
CCCNc1ncccc1[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072213124	567918511	/nfs/dbraw/zinc/91/85/11/567918511.db2.gz	LXDPTKIROXUCKE-GOSISDBHSA-N	1	0	295.430	4.241	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213962	567918836	/nfs/dbraw/zinc/91/88/36/567918836.db2.gz	XKDVVFYAQPOXHA-KRWDZBQOSA-N	1	0	287.451	4.229	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1NCC(C)C	ZINC000072213272	567918866	/nfs/dbraw/zinc/91/88/66/567918866.db2.gz	XTHYGXQYBYZOSC-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N[C@@H](C)CC	ZINC000072213425	567918926	/nfs/dbraw/zinc/91/89/26/567918926.db2.gz	RFGGRYKJUZNIIN-GOEBONIOSA-N	1	0	275.440	4.229	40	0		CIABRO
CCCCNc1ncccc1[C@@H]1CCC[N@@H+]1CCCC	ZINC000072213603	567919016	/nfs/dbraw/zinc/91/90/16/567919016.db2.gz	LUNILNGTAWINIV-INIZCTEOSA-N	1	0	275.440	4.231	40	0		CIABRO
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N[C@@H](C)CC	ZINC000072213401	567919030	/nfs/dbraw/zinc/91/90/30/567919030.db2.gz	KEFNVNQXCGLYGE-GOEBONIOSA-N	1	0	275.440	4.229	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213433	567919037	/nfs/dbraw/zinc/91/90/37/567919037.db2.gz	XOAVLONQJKSDTM-NVXWUHKLSA-N	1	0	289.467	4.475	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(NC2CCC2)nc1	ZINC000072213863	567919198	/nfs/dbraw/zinc/91/91/98/567919198.db2.gz	JCERESPZOAMGGD-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc(NC2CCCC2)nc1	ZINC000072213964	567919342	/nfs/dbraw/zinc/91/93/42/567919342.db2.gz	ILYRICHPSJFDGG-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CC(C)CNc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C	ZINC000072213276	567919371	/nfs/dbraw/zinc/91/93/71/567919371.db2.gz	DQESTAKVCUSYON-KRWDZBQOSA-N	1	0	289.467	4.333	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1	ZINC000072214035	567919658	/nfs/dbraw/zinc/91/96/58/567919658.db2.gz	ZEQKWGGYHDFALS-KRWDZBQOSA-N	1	0	287.451	4.373	40	0		CIABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1	ZINC000072214155	567919946	/nfs/dbraw/zinc/91/99/46/567919946.db2.gz	KQATWIICTQTCPO-KRWDZBQOSA-N	1	0	281.403	4.372	40	0		CIABRO
COc1ncc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C	ZINC000072217747	567920355	/nfs/dbraw/zinc/92/03/55/567920355.db2.gz	SSTLERMLLGQQQM-SFHVURJKSA-N	1	0	296.414	4.126	40	0		CIABRO
Cc1cc(Cl)ncc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072217829	567920494	/nfs/dbraw/zinc/92/04/94/567920494.db2.gz	MGKLHUXJKVUUQR-INIZCTEOSA-N	1	0	286.806	4.381	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCC2)nc1	ZINC000072215946	567920552	/nfs/dbraw/zinc/92/05/52/567920552.db2.gz	MIFPATWHHGVZIT-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCCCCC1	ZINC000072216703	567920604	/nfs/dbraw/zinc/92/06/04/567920604.db2.gz	HJIAKZWWKKXNGK-QGZVFWFLSA-N	1	0	287.451	4.009	40	0		CIABRO
CCSc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000072217201	567921083	/nfs/dbraw/zinc/92/10/83/567921083.db2.gz	UNRNMCMWRKCOMJ-AWEZNQCLSA-N	1	0	264.438	4.129	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@H]1c1cnc2ccccc2c1	ZINC000072219571	567921742	/nfs/dbraw/zinc/92/17/42/567921742.db2.gz	GXSRHEXLSPEEAA-KRWDZBQOSA-N	1	0	254.377	4.028	40	0		CIABRO
Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1	ZINC000072219483	567921868	/nfs/dbraw/zinc/92/18/68/567921868.db2.gz	OBXPRMCIOGQGPA-SFHVURJKSA-N	1	0	266.388	4.117	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1c(OC)cccc1OC	ZINC000072221442	567922083	/nfs/dbraw/zinc/92/20/83/567922083.db2.gz	OSAIJRWAJJCLEH-CQSZACIVSA-N	1	0	277.408	4.031	40	0		CIABRO
Cc1cc([C@H]([NH3+])c2ccccc2)cnc1SC(C)(C)C	ZINC000072222828	567922150	/nfs/dbraw/zinc/92/21/50/567922150.db2.gz	JPGAZOLPMGWKOC-OAHLLOKOSA-N	1	0	286.444	4.329	40	0		CIABRO
CC(C)[N@@H+]1CCCC[C@H]1c1ccc2ncccc2c1	ZINC000072221808	567922220	/nfs/dbraw/zinc/92/22/20/567922220.db2.gz	UWQMFHCFCQEXEE-KRWDZBQOSA-N	1	0	254.377	4.170	40	0		CIABRO
CC(=O)[N+]1=C(c2ccccc2)C[C@H](C=Cc2ccccc2)N1	ZINC000000352925	567929645	/nfs/dbraw/zinc/92/96/45/567929645.db2.gz	BOEVEZBGYSNUNV-UBJZUDALSA-N	1	0	291.374	4.225	40	0		CIABRO
Clc1ccc(/[NH+]=c2\ccn3ccccc3c2)cc1Cl	ZINC000017121692	567934726	/nfs/dbraw/zinc/93/47/26/567934726.db2.gz	MTFYFZDTISVQRR-LDADJPATSA-N	1	0	289.165	4.479	40	0		CIABRO
c1c(-c2ccccc2)n2c([n+]1-c1ccccc1)CCCCC2	ZINC000002684727	567945540	/nfs/dbraw/zinc/94/55/40/567945540.db2.gz	CBRIVXLHOMASMJ-UHFFFAOYSA-N	1	0	289.402	4.158	40	0		CIABRO
Cc1cc(C[NH2+]CC(C)C)c(C)n1Cc1cccc(C)c1	ZINC000223662957	567950309	/nfs/dbraw/zinc/95/03/09/567950309.db2.gz	HPNNGIDMMAQLLB-UHFFFAOYSA-N	1	0	284.447	4.207	40	0		CIABRO
CCOc1cc(C[NH2+][C@H](C)CC)ccc1OC1CCCC1	ZINC000225157440	567952191	/nfs/dbraw/zinc/95/21/91/567952191.db2.gz	FIICZIQQGSZQSZ-CQSZACIVSA-N	1	0	291.435	4.295	40	0		CIABRO
CCOc1cc(C[NH2+][C@H](C)CC)ccc1O[C@@H](C)CC	ZINC000225157622	567952278	/nfs/dbraw/zinc/95/22/78/567952278.db2.gz	FRPOAVSNAXPKFB-KGLIPLIRSA-N	1	0	279.424	4.151	40	0		CIABRO
CCOc1cc(C[NH2+][C@H](C)CC)ccc1O[C@H](C)CC	ZINC000225157710	567952347	/nfs/dbraw/zinc/95/23/47/567952347.db2.gz	FRPOAVSNAXPKFB-ZIAGYGMSSA-N	1	0	279.424	4.151	40	0		CIABRO
CCCC[NH2+][C@@H](C)c1ccccc1OC1CCCC1	ZINC000225159006	567952371	/nfs/dbraw/zinc/95/23/71/567952371.db2.gz	JQEURZXLCWLJNT-AWEZNQCLSA-N	1	0	261.409	4.459	40	0		CIABRO
CSc1cc(Nc2ccccc2)s[n+]1-c1ccccc1	ZINC000255190362	570323235	/nfs/dbraw/zinc/32/32/35/570323235.db2.gz	WTYJXGNFZXXHOW-UHFFFAOYSA-O	1	0	299.444	4.490	40	0		CIABRO
CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C)c(N)c1	ZINC000218282788	570329813	/nfs/dbraw/zinc/32/98/13/570329813.db2.gz	HDVHWQMBOFNIAB-HNNXBMFYSA-N	1	0	268.404	4.160	40	0		CIABRO
Clc1cccc2cc([C@H]3C[NH+]4CCC3CC4)sc21	ZINC000209779733	570379702	/nfs/dbraw/zinc/37/97/02/570379702.db2.gz	LDFJGLARWKYIKE-LBPRGKRZSA-N	1	0	277.820	4.364	40	0		CIABRO
CC(C)Cn1c2ccc(Cl)cc2nc1CCCCC[NH3+]	ZINC000064874472	570392881	/nfs/dbraw/zinc/39/28/81/570392881.db2.gz	FDNXAWKGOPWULN-UHFFFAOYSA-N	1	0	293.842	4.017	40	0		CIABRO
C[N+]1=C(/C=C/c2ccc(O)cc2)C(C)(C)c2ccccc21	ZINC000004077503	230368631	/nfs/dbraw/zinc/36/86/31/230368631.db2.gz	JDSFIEKGBFHVTD-UHFFFAOYSA-O	1	0	278.375	4.112	40	0		CIABRO
Cc1ccc2c(c1)C1(CC2)CC[NH+](Cc2ccco2)CC1	ZINC000096052538	185075121	/nfs/dbraw/zinc/07/51/21/185075121.db2.gz	APTPZYBDNCQGDI-UHFFFAOYSA-N	1	0	281.399	4.068	40	0		CIABRO
CC(C)[NH2+]Cc1ccc(Br)c2ccccc12	ZINC000085391765	179048404	/nfs/dbraw/zinc/04/84/04/179048404.db2.gz	FPCZULRYEUIHAQ-UHFFFAOYSA-N	1	0	278.193	4.100	40	0		CIABRO
CC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC2CCCC2)cc1	ZINC000225169135	189744847	/nfs/dbraw/zinc/74/48/47/189744847.db2.gz	LHVCZHALPPOMRE-KGLIPLIRSA-N	1	0	261.409	4.457	40	0		CIABRO
CC[C@H](C)[NH2+][C@H](C)c1cccc(OC2CCCC2)c1	ZINC000225165641	189744466	/nfs/dbraw/zinc/74/44/66/189744466.db2.gz	LJFVIBXMVNDQFF-UONOGXRCSA-N	1	0	261.409	4.457	40	0		CIABRO
CC(C)C[NH2+][C@H](C)c1cccc(OC2CCCC2)c1	ZINC000225164248	189744574	/nfs/dbraw/zinc/74/45/74/189744574.db2.gz	ZGYDDAXTPYHCKE-CQSZACIVSA-N	1	0	261.409	4.315	40	0		CIABRO
CCC[C@@H](O)c1ccccc1OCC[NH+](C(C)C)C(C)C	ZINC000000000413	169502249	/nfs/dbraw/zinc/50/22/49/169502249.db2.gz	DBQHPYODCJJUAP-QGZVFWFLSA-N	1	0	293.451	4.018	40	0	in-man	CIABRO
CC[C@H]([NH3+])c1ccc(SC2CCCCC2)nc1C	ZINC000072224886	256704161	/nfs/dbraw/zinc/70/41/61/256704161.db2.gz	ZKSMSNSIFUDNIO-AWEZNQCLSA-N	1	0	264.438	4.225	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1	ZINC000072221757	256706351	/nfs/dbraw/zinc/70/63/51/256706351.db2.gz	YRANYKOMDPMQSS-KRWDZBQOSA-N	1	0	256.393	4.495	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1ccc2ncccc2c1	ZINC000072221793	256706696	/nfs/dbraw/zinc/70/66/96/256706696.db2.gz	ODIGOGDKNFPEMU-KRWDZBQOSA-N	1	0	254.377	4.172	40	0		CIABRO
Cc1[nH]c(=S)ccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000072218369	256708309	/nfs/dbraw/zinc/70/83/09/256708309.db2.gz	IVXAMBVMSVBLFQ-INIZCTEOSA-N	1	0	284.428	4.016	40	0		CIABRO
CCCC[N@@H+]1CCC[C@H]1c1cccnc1N[C@@H](C)CC	ZINC000072213402	256713973	/nfs/dbraw/zinc/71/39/73/256713973.db2.gz	KEFNVNQXCGLYGE-HOCLYGCPSA-N	1	0	275.440	4.229	40	0		CIABRO
CC[NH+](CC)CCSc1ccnc2cc(Cl)ccc21	ZINC000001592004	169720237	/nfs/dbraw/zinc/72/02/37/169720237.db2.gz	CKKMSPRSSCZILT-UHFFFAOYSA-N	1	0	294.851	4.322	40	0		CIABRO
CCCCCC[C@H](C)[NH2+]CCOC(=O)Nc1ccccc1	ZINC000001710556	169747719	/nfs/dbraw/zinc/74/77/19/169747719.db2.gz	IARONQIBEXQDAO-HNNXBMFYSA-N	1	0	292.423	4.184	40	0		CIABRO
CC[C@H]1[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)C[C@@]1(C)O	ZINC000004898908	170037994	/nfs/dbraw/zinc/03/79/94/170037994.db2.gz	HLZZWYXFUPJRKG-LWYYNNOASA-N	1	0	295.426	4.240	40	0		CIABRO
C[NH+](C)CCCc1ccc2oc3ccccc3c2c1	ZINC000004914053	170040288	/nfs/dbraw/zinc/04/02/88/170040288.db2.gz	CWDYFOQNEGELTN-UHFFFAOYSA-N	1	0	253.345	4.080	40	0		CIABRO
CC[n+]1c2ccccc2sc1C1=Cc2ccccc2OC1	ZINC000005469708	170102369	/nfs/dbraw/zinc/10/23/69/170102369.db2.gz	IGVONFOREKYORV-UHFFFAOYSA-N	1	0	294.399	4.142	40	0		CIABRO
[NH2+]=C1NC(c2ccccc2)=C[C@@H](c2ccccc2)S1	ZINC000005947666	170161228	/nfs/dbraw/zinc/16/12/28/170161228.db2.gz	DECPAAQMLGSSCC-HNNXBMFYSA-N	1	0	266.369	4.040	40	0		CIABRO
CCCCCC[C@@H](C)[NH2+]CC(=O)Nc1c(C)cccc1C	ZINC000005973082	170164543	/nfs/dbraw/zinc/16/45/43/170164543.db2.gz	FUPNNHAQSJTFJY-MRXNPFEDSA-N	1	0	290.451	4.190	40	0		CIABRO
[NH2+]=C(Nc1ccccc1)c1ccc2[nH]c3c(c2c1)CCCC3	ZINC000006578392	170215432	/nfs/dbraw/zinc/21/54/32/170215432.db2.gz	GRUYKXWESZNKRL-UHFFFAOYSA-N	1	0	289.382	4.484	40	0		CIABRO
CCCCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1	ZINC000007261325	170274040	/nfs/dbraw/zinc/27/40/40/170274040.db2.gz	KTQHSNOTINTUIV-CQSZACIVSA-N	1	0	287.403	4.280	40	0		CIABRO
CCCCn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1	ZINC000007343616	170277857	/nfs/dbraw/zinc/27/78/57/170277857.db2.gz	MHCGTWPONJXVDM-OAHLLOKOSA-N	1	0	285.435	4.383	40	0		CIABRO
C1=C2[C@@H](CCC1)[C@H](C[NH+]1CCCCC1)O[C@@H]1CCCC[C@H]21	ZINC000012658112	170503159	/nfs/dbraw/zinc/50/31/59/170503159.db2.gz	ZLGSKKXUVINAIN-MKXGPGLRSA-N	1	0	289.463	4.156	40	0		CIABRO
Cc1cnccc1C[NH2+][C@@H]1[C@@H]2CCC[C@H]2[C@H]1c1ccccc1	ZINC000019239545	170758816	/nfs/dbraw/zinc/75/88/16/170758816.db2.gz	GAOIPVOSZLYRCS-UAFMIMERSA-N	1	0	292.426	4.062	40	0		CIABRO
CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1	ZINC000022076450	171351909	/nfs/dbraw/zinc/35/19/09/171351909.db2.gz	GEAMTARHPCKIDL-DNVCBOLYSA-N	1	0	283.415	4.022	40	0		CIABRO
CC(C)c1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1	ZINC000022076454	171352540	/nfs/dbraw/zinc/35/25/40/171352540.db2.gz	GEAMTARHPCKIDL-BEFAXECRSA-N	1	0	283.415	4.022	40	0		CIABRO
C[C@@]12CC=CC[C@]1(C)C[N@@H+]1CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000022114783	171352826	/nfs/dbraw/zinc/35/28/26/171352826.db2.gz	IAKRGBANZNSMTD-AQNXPRMDSA-N	1	0	292.426	4.443	40	0		CIABRO
CC(C)c1[nH]c2ncccc2c1C[N@H+](C)Cc1ccccc1	ZINC000072393351	176394529	/nfs/dbraw/zinc/39/45/29/176394529.db2.gz	IZBSMXRQBIWNMZ-UHFFFAOYSA-N	1	0	293.414	4.318	40	0		CIABRO
Cc1ccc(O)c([C@@H](CC[NH2+]C(C)C)c2ccccc2)c1	ZINC000077287148	177249116	/nfs/dbraw/zinc/24/91/16/177249116.db2.gz	CPLYUIYTJCFQJD-KRWDZBQOSA-N	1	0	283.415	4.221	40	0	in-vitro	CIABRO
Cc1ccccc1O[C@H](CC[NH+](C)C)c1ccccc1	ZINC000039298021	260172399	/nfs/dbraw/zinc/17/23/99/260172399.db2.gz	UCPQMRYBCNDVHU-GOSISDBHSA-N	1	0	269.388	4.067	40	0		CIABRO
C[C@@H]([NH3+])[C@H](Cc1ccc(Cl)cc1)c1ccccc1	ZINC000001748041	570384002	/nfs/dbraw/zinc/38/40/02/570384002.db2.gz	YFIZFZIGRLVARQ-WBMJQRKESA-N	1	0	259.780	4.014	40	0		CIABRO
CC[C@@H](C)n1c2ccc(Cl)cc2nc1CCCCC[NH3+]	ZINC000053994576	566970453	/nfs/dbraw/zinc/97/04/53/566970453.db2.gz	QSKSLCUNPPNCEO-GFCCVEGCSA-N	1	0	293.842	4.332	40	0		CIABRO
FC(F)(F)c1cc([C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1	ZINC000004299180	566984503	/nfs/dbraw/zinc/98/45/03/566984503.db2.gz	GLIXFTDOFVBSQP-SNVBAGLBSA-N	1	0	283.215	4.149	40	0		CIABRO
CCc1ccc2[nH+]ccc(Nc3cccc(N)c3)c2c1	ZINC000064875367	567110051	/nfs/dbraw/zinc/11/00/51/567110051.db2.gz	VSIXSVRXXIFGIV-UHFFFAOYSA-N	1	0	263.344	4.123	40	0		CIABRO
O=C1CCCC[C@H]1[C@@H]1CCCCC[N@@H+]1Cc1ccccc1	ZINC000217463936	567170392	/nfs/dbraw/zinc/17/03/92/567170392.db2.gz	SAESRSLNLIIPIA-ROUUACIJSA-N	1	0	285.431	4.191	40	0		CIABRO
CCC[C@H]1C[C@H]([NH3+])c2ccccc2N1C(=O)OC(C)(C)C	ZINC000242548063	567194247	/nfs/dbraw/zinc/19/42/47/567194247.db2.gz	LBCDYEYYVRLZEA-JSGCOSHPSA-N	1	0	290.407	4.000	40	0		CIABRO
C[C@@H]1c2ccccc2C[C@H](CC[NH+](C)C)c2ccccc21	ZINC000001579674	567838503	/nfs/dbraw/zinc/83/85/03/567838503.db2.gz	LYMOVRPSPQDFNQ-WBVHZDCISA-N	1	0	279.427	4.430	40	0		CIABRO
C(=C/c1cc[n+](CCc2ccccc2)cc1)\c1ccccc1	ZINC000001664386	567840437	/nfs/dbraw/zinc/84/04/37/567840437.db2.gz	AYNFBGTXKICEGT-VAWYXSNFSA-N	1	0	286.398	4.387	40	0		CIABRO
Cc1cc2ccccc2c[n+]1CCC1CCCCC1	ZINC000001665303	567840849	/nfs/dbraw/zinc/84/08/49/567840849.db2.gz	RZEQAVUNBHSOLZ-UHFFFAOYSA-N	1	0	254.397	4.406	40	0		CIABRO
Cc1ccc2nc(-[n+]3cc4ccccc4cc3C)ccc2c1	ZINC000001673076	567841150	/nfs/dbraw/zinc/84/11/50/567841150.db2.gz	YJCPCVVKLAUWHS-UHFFFAOYSA-N	1	0	285.370	4.282	40	0		CIABRO
CC[NH+](CC)C[C@H](c1ccccc1)[C@](C)(O)c1ccccc1	ZINC000001671256	567841161	/nfs/dbraw/zinc/84/11/61/567841161.db2.gz	GCIBOJXSMDTOSE-WOJBJXKFSA-N	1	0	297.442	4.020	40	0		CIABRO
c1c[nH]c(C[NH+](Cc2ccccc2)Cc2ccccc2)c1	ZINC000001679488	567841255	/nfs/dbraw/zinc/84/12/55/567841255.db2.gz	SPEBSBXTPSLRCP-UHFFFAOYSA-N	1	0	276.383	4.217	40	0		CIABRO
Cc1cc(-c2ccccc2)cc(C)[n+]1Cc1ccccc1	ZINC000001685135	567841259	/nfs/dbraw/zinc/84/12/59/567841259.db2.gz	NCNKQOTXTBHQCD-UHFFFAOYSA-N	1	0	274.387	4.306	40	0		CIABRO
CCC[NH+](CCC)C[C@H](O)c1ccc2c3c(cccc31)CC2	ZINC000001683570	567841445	/nfs/dbraw/zinc/84/14/45/567841445.db2.gz	IYBOZZUIHABJFI-IBGZPJMESA-N	1	0	297.442	4.094	40	0		CIABRO
C[NH+](C)CCCN1CCC2(CCC(C(C)(C)C)CC2)CC1	ZINC000001692152	567841631	/nfs/dbraw/zinc/84/16/31/567841631.db2.gz	LZRGRPBCRMPSBY-UHFFFAOYSA-N	1	0	294.527	4.257	40	0	in-vitro	CIABRO
CCC[NH+](CCC)[C@@H](C)[C@@H](O)c1cccc2ccccc21	ZINC000001706360	567841993	/nfs/dbraw/zinc/84/19/93/567841993.db2.gz	CXMTVNQGSKMABJ-HNAYVOBHSA-N	1	0	285.431	4.384	40	0		CIABRO
C[NH+](C)CCCOC1(Cc2ccccc2)CCCCCC1	ZINC000001999382	567844008	/nfs/dbraw/zinc/84/40/08/567844008.db2.gz	FYJJXENSONZJRG-UHFFFAOYSA-N	1	0	289.463	4.290	40	0	in-man	CIABRO
C[C@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(C)O	ZINC000004368790	567857076	/nfs/dbraw/zinc/85/70/76/567857076.db2.gz	PPULLACTYCCYOK-LNMJFAINSA-N	1	0	295.426	4.095	40	0		CIABRO
CCCC[NH+](CCCC)CCCCCCCCO	ZINC000004409966	567857272	/nfs/dbraw/zinc/85/72/72/567857272.db2.gz	DAEWVRQLHVCGRW-UHFFFAOYSA-N	1	0	257.462	4.222	40	0		CIABRO
c1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cccnc2)cc1	ZINC000012088980	567862254	/nfs/dbraw/zinc/86/22/54/567862254.db2.gz	HLYAFYPWIRHLMP-MUGJNUQGSA-N	1	0	292.426	4.144	40	0		CIABRO
C[C@]12CC3CC(C(=O)C[NH+]4CCCCC4)(C1)C[C@@](C)(C3)C2	ZINC000016778652	567873705	/nfs/dbraw/zinc/87/37/05/567873705.db2.gz	JMNPKUMATCMADX-AFGAAMFOSA-N	1	0	289.463	4.038	40	0		CIABRO
Cc1ccc([C@@H]([NH3+])c2cccc(C(F)(F)F)c2)cc1	ZINC000019968756	567880577	/nfs/dbraw/zinc/88/05/77/567880577.db2.gz	CAIRZEHPIUVCQJ-CQSZACIVSA-N	1	0	265.278	4.062	40	0		CIABRO
C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)c2ccccc2)CC1	ZINC000022910898	567881415	/nfs/dbraw/zinc/88/14/15/567881415.db2.gz	FQNIOAVLCZLWON-HDICACEKSA-N	1	0	294.442	4.126	40	0	in-vitro	CIABRO
Cc1ccccc1C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C	ZINC000031946945	567885641	/nfs/dbraw/zinc/88/56/41/567885641.db2.gz	YGZCOQDFPLGMBF-IBGZPJMESA-N	1	0	290.410	4.248	40	0		CIABRO
C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cc(F)cc(F)c1	ZINC000094820319	567908994	/nfs/dbraw/zinc/90/89/94/567908994.db2.gz	JFBUPTFKLMWNFJ-NWDGAFQWSA-N	1	0	261.315	4.377	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Br)nc1	ZINC000072211577	567917656	/nfs/dbraw/zinc/91/76/56/567917656.db2.gz	HCXUKIAPNVOTKR-CYBMUJFWSA-N	1	0	297.240	4.171	40	0		CIABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(OCc2ccccc2)nc1	ZINC000072212018	567918076	/nfs/dbraw/zinc/91/80/76/567918076.db2.gz	XRRYPGFEBXTSIK-GOSISDBHSA-N	1	0	296.414	4.206	40	0		CIABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(Oc2ccccc2)nc1	ZINC000072212141	567918197	/nfs/dbraw/zinc/91/81/97/567918197.db2.gz	WDXWWAITGXGHMT-KRWDZBQOSA-N	1	0	282.387	4.421	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1OC(C)C	ZINC000072211982	567918364	/nfs/dbraw/zinc/91/83/64/567918364.db2.gz	MNGDQHLUIUDWTJ-INIZCTEOSA-N	1	0	276.424	4.052	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(NC2CCC2)nc1	ZINC000072213862	567918759	/nfs/dbraw/zinc/91/87/59/567918759.db2.gz	JCERESPZOAMGGD-QGZVFWFLSA-N	1	0	287.451	4.373	40	0		CIABRO
CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2C(C)C)cn1	ZINC000072213540	567918767	/nfs/dbraw/zinc/91/87/67/567918767.db2.gz	VYSSJYMMUBITHO-HOCLYGCPSA-N	1	0	275.440	4.227	40	0		CIABRO
CCC[N@@H+]1CCCC[C@@H]1c1ccc(NCC(C)C)nc1	ZINC000072213332	567919083	/nfs/dbraw/zinc/91/90/83/567919083.db2.gz	KACARWZIGIOAHG-MRXNPFEDSA-N	1	0	275.440	4.087	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NCC(C)C	ZINC000072213279	567919244	/nfs/dbraw/zinc/91/92/44/567919244.db2.gz	MUMDLXAJOHEZRA-KRWDZBQOSA-N	1	0	289.467	4.477	40	0		CIABRO
CC[C@@H](C)Nc1ccc([C@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213511	567919268	/nfs/dbraw/zinc/91/92/68/567919268.db2.gz	YMXKXDZFMYZWNM-GDBMZVCRSA-N	1	0	275.440	4.085	40	0		CIABRO
CCCCNc1ccc([C@@H]2CCC[N@@H+]2CC(C)C)cn1	ZINC000072213661	567919297	/nfs/dbraw/zinc/91/92/97/567919297.db2.gz	MSPDDRAIOZEXCA-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(NCC(C)C)nc1	ZINC000072213333	567919301	/nfs/dbraw/zinc/91/93/01/567919301.db2.gz	KACARWZIGIOAHG-INIZCTEOSA-N	1	0	275.440	4.087	40	0		CIABRO
CC[C@@H](C)Nc1ncccc1[C@H]1CCC[N@@H+]1CC(C)C	ZINC000072213399	567919309	/nfs/dbraw/zinc/91/93/09/567919309.db2.gz	ACSATDVVRYUGTA-GDBMZVCRSA-N	1	0	275.440	4.085	40	0		CIABRO
CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1C(C)C	ZINC000072213428	567919311	/nfs/dbraw/zinc/91/93/11/567919311.db2.gz	XDNGZZLWWCNZMK-HOCLYGCPSA-N	1	0	275.440	4.227	40	0		CIABRO
c1cnc(SC2CCCCC2)c([C@@H]2CCCC[NH2+]2)c1	ZINC000072217313	567919609	/nfs/dbraw/zinc/91/96/09/567919609.db2.gz	OWPPSJDQSKDEHA-HNNXBMFYSA-N	1	0	276.449	4.321	40	0		CIABRO
C[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1	ZINC000072217376	567919935	/nfs/dbraw/zinc/91/99/35/567919935.db2.gz	FYGJSTSEMXYKTO-CYBMUJFWSA-N	1	0	264.438	4.129	40	0		CIABRO
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(SC(C)C)nc1	ZINC000072217484	567920238	/nfs/dbraw/zinc/92/02/38/567920238.db2.gz	WGQAZXZYYLSNJB-OAHLLOKOSA-N	1	0	278.465	4.375	40	0		CIABRO
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCCC2)nc1	ZINC000072216061	567920269	/nfs/dbraw/zinc/92/02/69/567920269.db2.gz	QZBHPMNXAYUCET-KRWDZBQOSA-N	1	0	287.451	4.009	40	0		CIABRO
c1ccc(Sc2ccc([C@H]3CCCC[NH2+]3)cn2)cc1	ZINC000072217614	567920292	/nfs/dbraw/zinc/92/02/92/567920292.db2.gz	KFZLRAMMDOWMAQ-OAHLLOKOSA-N	1	0	270.401	4.047	40	0		CIABRO
COc1ncc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C	ZINC000072217748	567920506	/nfs/dbraw/zinc/92/05/06/567920506.db2.gz	SSTLERMLLGQQQM-GOSISDBHSA-N	1	0	296.414	4.126	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@H]1c1cnc(Cl)c(C)c1	ZINC000072217805	567920519	/nfs/dbraw/zinc/92/05/19/567920519.db2.gz	INXQZNRRCULEEA-AWEZNQCLSA-N	1	0	266.816	4.371	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cnc(Cl)c(C)c1	ZINC000072217804	567920522	/nfs/dbraw/zinc/92/05/22/567920522.db2.gz	INXQZNRRCULEEA-CQSZACIVSA-N	1	0	266.816	4.371	40	0		CIABRO
CC[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1	ZINC000072217653	567920807	/nfs/dbraw/zinc/92/08/07/567920807.db2.gz	BAFLNJKGULZFHF-INIZCTEOSA-N	1	0	284.428	4.390	40	0		CIABRO
CCSc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1	ZINC000072217144	567921172	/nfs/dbraw/zinc/92/11/72/567921172.db2.gz	FLSVRPJPWFVNPC-OAHLLOKOSA-N	1	0	278.465	4.377	40	0		CIABRO
CC(C)C[N@@H+]1CCCC[C@@H]1c1cnc2ccccc2c1	ZINC000072219587	567921495	/nfs/dbraw/zinc/92/14/95/567921495.db2.gz	RKEHZDTZGWZMLB-GOSISDBHSA-N	1	0	268.404	4.418	40	0		CIABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(=S)[nH]c1C	ZINC000072218404	567921641	/nfs/dbraw/zinc/92/16/41/567921641.db2.gz	YSSPZGHKWXFHMR-CQSZACIVSA-N	1	0	264.438	4.006	40	0		CIABRO
Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ccn1	ZINC000072219484	567921737	/nfs/dbraw/zinc/92/17/37/567921737.db2.gz	OBXPRMCIOGQGPA-GOSISDBHSA-N	1	0	266.388	4.117	40	0		CIABRO
COc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1	ZINC000072221522	567922404	/nfs/dbraw/zinc/92/24/04/567922404.db2.gz	PSDIJWASCCYKJY-LJQANCHMSA-N	1	0	281.399	4.422	40	0		CIABRO
[NH3+][C@H](c1ccccc1)c1ccc(Sc2ccccc2)nc1	ZINC000072225207	567922739	/nfs/dbraw/zinc/92/27/39/567922739.db2.gz	OXUUXMGYZLZKPZ-GOSISDBHSA-N	1	0	292.407	4.281	40	0		CIABRO
Cn1c2ccccc2c2ccc(/C=C/c3cc[n+](C)cc3)cc21	ZINC000004932973	567932944	/nfs/dbraw/zinc/93/29/44/567932944.db2.gz	MAOQAYVWEMRVAY-UHFFFAOYSA-N	1	0	299.397	4.326	40	0		CIABRO
ClC1=CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H]2C1	ZINC000012655458	567940522	/nfs/dbraw/zinc/94/05/22/567940522.db2.gz	BWKWEYCCHXBCAS-POHZPAGDSA-N	1	0	298.817	4.230	40	0		CIABRO
C[C@@H]1[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@H](C)C1(C)O	ZINC000004368779	567945930	/nfs/dbraw/zinc/94/59/30/567945930.db2.gz	PPULLACTYCCYOK-AIVWAMIVSA-N	1	0	295.426	4.095	40	0		CIABRO
Cc1ccc(Cl)cc1-n1cccc1C[NH2+]CC(C)C	ZINC000223686926	567950201	/nfs/dbraw/zinc/95/02/01/567950201.db2.gz	ZAOJENXODMXQHT-UHFFFAOYSA-N	1	0	276.811	4.185	40	0		CIABRO
CCC[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C	ZINC000223664576	567950333	/nfs/dbraw/zinc/95/03/33/567950333.db2.gz	YZLRVCAORUHSRM-UHFFFAOYSA-N	1	0	290.838	4.306	40	0		CIABRO
CCC[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C	ZINC000223677495	567950358	/nfs/dbraw/zinc/95/03/58/567950358.db2.gz	LRPPJCJQVCYYJC-OAHLLOKOSA-N	1	0	270.420	4.214	40	0		CIABRO
CCCC[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C	ZINC000223663430	567950379	/nfs/dbraw/zinc/95/03/79/567950379.db2.gz	KPAJZJYFAKWNSB-UHFFFAOYSA-N	1	0	284.447	4.351	40	0		CIABRO
CCCCn1c(C)c(C[NH2+]CC)c2cc(OCC)ccc21	ZINC000223762608	567950687	/nfs/dbraw/zinc/95/06/87/567950687.db2.gz	NNTMYIUKPNAHGN-UHFFFAOYSA-N	1	0	288.435	4.258	40	0		CIABRO
CCCOc1ccc2c(c1)c(C[NH2+]C)c(C)n2CC(C)C	ZINC000223760086	567950809	/nfs/dbraw/zinc/95/08/09/567950809.db2.gz	VHXBLFDDBCYISS-UHFFFAOYSA-N	1	0	288.435	4.114	40	0		CIABRO
CCC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(C)c1C	ZINC000223767464	567950835	/nfs/dbraw/zinc/95/08/35/567950835.db2.gz	YXMWWFAWFXEOFG-ZDUSSCGKSA-N	1	0	288.435	4.164	40	0		CIABRO
CCCC[NH2+]Cc1ccc(OCC(C)C)c(OCC)c1	ZINC000225157155	567952404	/nfs/dbraw/zinc/95/24/04/567952404.db2.gz	DUMKAHLBJIVDLM-UHFFFAOYSA-N	1	0	279.424	4.010	40	0		CIABRO
CC[NH+](CC)CCC(=O)c1ccc(-c2ccccc2)cc1	ZINC000003153537	570262790	/nfs/dbraw/zinc/26/27/90/570262790.db2.gz	RZUNNSSCMREJEY-UHFFFAOYSA-N	1	0	281.399	4.268	40	0		CIABRO