smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C(=O)Nc1cccc(SC)c1)[NH+](C)C	ZINC000161264251	372312644	/nfs/dbraw/zinc/31/26/44/372312644.db2.gz	WOQSTHCDSGYFIH-CYBMUJFWSA-N	1	0	266.410	3.077	10	70		CGIERO
CC[NH+](CC)CCCN1CC/C(=C/c2ccc(O)cc2)C1	ZINC000216805280	376168429	/nfs/dbraw/zinc/16/84/29/376168429.db2.gz	QHNPJVONJKWGHG-VKAVYKQESA-N	1	0	288.435	3.213	10	70		CGIERO
CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1	ZINC000217913261	392995852	/nfs/dbraw/zinc/99/58/52/392995852.db2.gz	NEFSDIGSKIUTMC-ZBFHGGJFSA-N	1	0	276.424	3.220	10	70		CGIERO
CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1C	ZINC000159946507	165470797	/nfs/dbraw/zinc/47/07/97/165470797.db2.gz	GVGRICALRNBFAN-FZMZJTMJSA-N	1	0	279.428	3.128	10	70		CGIERO
C[N@@H+]1CCC[C@@H](CNc2ccnc3c(F)cc(F)cc23)C1	ZINC000159398436	372139886	/nfs/dbraw/zinc/13/98/86/372139886.db2.gz	JFTOQDGAYLNPSG-NSHDSACASA-N	1	0	291.345	3.267	10	70		CGIERO
Cc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160535764	525140883	/nfs/dbraw/zinc/14/08/83/525140883.db2.gz	FNDDLCMWOMZJLA-UHFFFAOYSA-N	1	0	255.365	3.098	10	70		CGIERO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159590034	372159324	/nfs/dbraw/zinc/15/93/24/372159324.db2.gz	FRZABXNXTRJXKT-XJKSGUPXSA-N	1	0	274.408	3.081	10	70		CGIERO
COc1cccc(CCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1	ZINC000160520298	372253612	/nfs/dbraw/zinc/25/36/12/372253612.db2.gz	XHESOWXQRCXZTI-GOSISDBHSA-N	1	0	299.418	3.198	10	70		CGIERO
C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCC[C@@H]([NH3+])C1	ZINC000217504798	287132358	/nfs/dbraw/zinc/13/23/58/287132358.db2.gz	XCHGIGIHDAGQHM-XJKSGUPXSA-N	1	0	260.425	3.468	10	70		CGIERO
Cc1cccc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1	ZINC000160537798	524390908	/nfs/dbraw/zinc/39/09/08/524390908.db2.gz	DBMBUEUZXUPRCB-UHFFFAOYSA-N	1	0	255.365	3.098	10	70		CGIERO
CCC[C@H](C(=O)Nc1cc(Cl)cc(C)c1O)[NH+](C)C	ZINC000160492196	372251394	/nfs/dbraw/zinc/25/13/94/372251394.db2.gz	SSAINLCSSKHUII-GFCCVEGCSA-N	1	0	284.787	3.023	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1cc(C)sc1C)[NH+](C)C	ZINC000161504903	372328585	/nfs/dbraw/zinc/32/85/85/372328585.db2.gz	AYCNXGOIPWXLEF-FZMZJTMJSA-N	1	0	282.453	3.272	10	70		CGIERO
CCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1	ZINC000217643060	572395823	/nfs/dbraw/zinc/39/58/23/572395823.db2.gz	TVCXMFRCCVFJAC-CWRNSKLLSA-N	1	0	277.408	3.430	10	70		CGIERO
CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21	ZINC000159589900	372159755	/nfs/dbraw/zinc/15/97/55/372159755.db2.gz	FRZABXNXTRJXKT-CZUORRHYSA-N	1	0	274.408	3.081	10	70		CGIERO
CCC[C@@H](C(=O)Nc1cccc(SC)c1)[NH+](C)C	ZINC000161264166	372313111	/nfs/dbraw/zinc/31/31/11/372313111.db2.gz	WOQSTHCDSGYFIH-ZDUSSCGKSA-N	1	0	266.410	3.077	10	70		CGIERO
CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1	ZINC000217682051	270085198	/nfs/dbraw/zinc/08/51/98/270085198.db2.gz	ZUTLWJKXYYWXRJ-LZWOXQAQSA-N	1	0	278.440	3.469	10	70		CGIERO
C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc21	ZINC000159580006	278584842	/nfs/dbraw/zinc/58/48/42/278584842.db2.gz	YZWCVTKEFLHOEN-CXAGYDPISA-N	1	0	286.419	3.083	10	70		CGIERO
Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1	ZINC000159597663	281355980	/nfs/dbraw/zinc/35/59/80/281355980.db2.gz	NAGZGICVJLXQFS-HZPDHXFCSA-N	1	0	296.418	3.105	10	70		CGIERO
CC[C@H](C(=O)N[C@H]1CC[C@H](C)c2ccccc21)[NH+](C)C	ZINC000159785832	321840748	/nfs/dbraw/zinc/84/07/48/321840748.db2.gz	NEBSOAJXBKFSGD-VBNZEHGJSA-N	1	0	274.408	3.081	10	70		CGIERO
CCC[C@@H](C(=O)Nc1cccc(C(C)C)c1)[NH+](C)C	ZINC000161250764	321865327	/nfs/dbraw/zinc/86/53/27/321865327.db2.gz	VOGAXRJVLJBXCT-HNNXBMFYSA-N	1	0	262.397	3.479	10	70		CGIERO
Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1	ZINC000159597948	136550792	/nfs/dbraw/zinc/55/07/92/136550792.db2.gz	NAGZGICVJLXQFS-CVEARBPZSA-N	1	0	296.418	3.105	10	70		CGIERO
Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cccnn2)C1	ZINC000159597796	372159083	/nfs/dbraw/zinc/15/90/83/372159083.db2.gz	NAGZGICVJLXQFS-JKSUJKDBSA-N	1	0	296.418	3.105	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1cccc(C)c1C)[NH+](C)C	ZINC000160090477	372210036	/nfs/dbraw/zinc/21/00/36/372210036.db2.gz	SGMRJXMVIAHUEO-GOEBONIOSA-N	1	0	276.424	3.211	10	70		CGIERO
CCSCC[N@@H+]1CCCC[C@@H]1c1nccs1	ZINC000160007861	372203467	/nfs/dbraw/zinc/20/34/67/372203467.db2.gz	IAIWDJUGBXQNCD-LLVKDONJSA-N	1	0	256.440	3.423	10	70		CGIERO
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1=CCCCC1	ZINC000160592798	372261131	/nfs/dbraw/zinc/26/11/31/372261131.db2.gz	BUEKTYFSVKANMN-MRXNPFEDSA-N	1	0	278.440	3.114	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1	ZINC000161414814	523603919	/nfs/dbraw/zinc/60/39/19/523603919.db2.gz	FOLJWUBXFXAEBY-BHMZLHOFSA-N	1	0	296.418	3.191	10	70		CGIERO
CCn1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)cn1	ZINC000160462200	372249154	/nfs/dbraw/zinc/24/91/54/372249154.db2.gz	PFRFMKNWCWGAHZ-UHFFFAOYSA-N	1	0	287.382	3.422	10	70		CGIERO
C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc21	ZINC000159579730	278606207	/nfs/dbraw/zinc/60/62/07/278606207.db2.gz	YZWCVTKEFLHOEN-DYVFJYSZSA-N	1	0	286.419	3.083	10	70		CGIERO
Cc1csc([C@@H]2CCC[N@H+](CCOCC3CC3)C2)n1	ZINC000159996613	232242896	/nfs/dbraw/zinc/24/28/96/232242896.db2.gz	QARNEAVMIRKYQM-CQSZACIVSA-N	1	0	280.437	3.058	10	70		CGIERO
CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)o1	ZINC000160656615	372266544	/nfs/dbraw/zinc/26/65/44/372266544.db2.gz	PFAUQXISEAEVDM-OBJOEFQTSA-N	1	0	251.370	3.044	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)[NH+](C)C	ZINC000161191163	372309210	/nfs/dbraw/zinc/30/92/10/372309210.db2.gz	GMYMQOOGBMBXAL-LBPRGKRZSA-N	1	0	284.787	3.017	10	70		CGIERO
CCC[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)[NH+](C)C	ZINC000161220181	372311610	/nfs/dbraw/zinc/31/16/10/372311610.db2.gz	XMHZZHPFZVVYLL-CQSZACIVSA-N	1	0	282.815	3.029	10	70		CGIERO
CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1	ZINC000217639145	572395549	/nfs/dbraw/zinc/39/55/49/572395549.db2.gz	OPNBGRYFHRQWJL-AEGPPILISA-N	1	0	263.381	3.039	10	70		CGIERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F	ZINC000217674045	572396790	/nfs/dbraw/zinc/39/67/90/572396790.db2.gz	SSAMLPDMMMWLQM-QJPTWQEYSA-N	1	0	285.334	3.242	10	70		CGIERO
CC[C@@](C)(O)C[N@H+](C)Cc1ccc(F)cc1Cl	ZINC000161010634	529507842	/nfs/dbraw/zinc/50/78/42/529507842.db2.gz	ZVAGYCXBIMKTMI-CYBMUJFWSA-N	1	0	259.752	3.072	10	70		CGIERO
O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc(F)cc1F)CC2	ZINC000160779502	372275422	/nfs/dbraw/zinc/27/54/22/372275422.db2.gz	GTQRIEFLQXYEOS-CJNGLKHVSA-N	1	0	281.346	3.092	10	70		CGIERO
C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2	ZINC000218163332	376184354	/nfs/dbraw/zinc/18/43/54/376184354.db2.gz	FDSBNAIMDHQINY-UPJWGTAASA-N	1	0	276.428	3.090	10	70		CGIERO
Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(c2cccnn2)C1	ZINC000159598101	274810520	/nfs/dbraw/zinc/81/05/20/274810520.db2.gz	NAGZGICVJLXQFS-HOTGVXAUSA-N	1	0	296.418	3.105	10	70		CGIERO
CCC[C@@H](C(=O)NCc1ccc2ccccc2c1)[NH+](C)C	ZINC000159782237	372179386	/nfs/dbraw/zinc/17/93/86/372179386.db2.gz	JFGOKKHAFFQULP-KRWDZBQOSA-N	1	0	284.403	3.186	10	70		CGIERO
CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161209028	372309145	/nfs/dbraw/zinc/30/91/45/372309145.db2.gz	ZOAXGWSKPCBSCS-CHWSQXEVSA-N	1	0	273.298	3.223	10	70		CGIERO
O[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000218307051	542286413	/nfs/dbraw/zinc/28/64/13/542286413.db2.gz	BPUPZNVUYQVNEJ-OAGGEKHMSA-N	1	0	263.356	3.170	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc(SC)cc1)[NH+](C)C	ZINC000161312035	321865997	/nfs/dbraw/zinc/86/59/97/321865997.db2.gz	PUCIJIWITBAVNM-ZDUSSCGKSA-N	1	0	266.410	3.077	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H]1CCSc2ccccc21)[NH+](C)C	ZINC000161037042	372296314	/nfs/dbraw/zinc/29/63/14/372296314.db2.gz	WPHPKIFRVNVVJB-KGLIPLIRSA-N	1	0	292.448	3.070	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+](C)C	ZINC000161143013	372305834	/nfs/dbraw/zinc/30/58/34/372305834.db2.gz	KYJVCIQRGFMXNB-LBPRGKRZSA-N	1	0	299.212	3.118	10	70		CGIERO
CCCn1nccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1	ZINC000160015935	542152856	/nfs/dbraw/zinc/15/28/56/542152856.db2.gz	OBTZBODUCMAKHP-LLVKDONJSA-N	1	0	279.334	3.422	10	70		CGIERO
Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CC2	ZINC000160584034	281118625	/nfs/dbraw/zinc/11/86/25/281118625.db2.gz	FGVIPIKAZAHIBE-UAGQMJEPSA-N	1	0	259.393	3.123	10	70		CGIERO
O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCC3)CC2	ZINC000160763434	534422142	/nfs/dbraw/zinc/42/21/42/534422142.db2.gz	AAMCMLHFBNCHBS-RTBURBONSA-N	1	0	285.431	3.302	10	70		CGIERO
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1	ZINC000217646553	572395560	/nfs/dbraw/zinc/39/55/60/572395560.db2.gz	RMMSNULHHOSKMQ-FPMFFAJLSA-N	1	0	259.349	3.387	10	70		CGIERO
CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1	ZINC000217642900	572395759	/nfs/dbraw/zinc/39/57/59/572395759.db2.gz	TVCXMFRCCVFJAC-NUEKZKHPSA-N	1	0	277.408	3.430	10	70		CGIERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(OC(F)F)c1	ZINC000217627626	572395809	/nfs/dbraw/zinc/39/58/09/572395809.db2.gz	HISIQUVANZTDOO-CYZMBNFOSA-N	1	0	285.334	3.242	10	70		CGIERO
C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1nnc2n1CCC2	ZINC000218163282	376185498	/nfs/dbraw/zinc/18/54/98/376185498.db2.gz	FDSBNAIMDHQINY-JHJVBQTASA-N	1	0	276.428	3.090	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1ccccc1Cl)[NH+](C)C	ZINC000161233638	520591341	/nfs/dbraw/zinc/59/13/41/520591341.db2.gz	DRENIZGKODVDLS-FZMZJTMJSA-N	1	0	282.815	3.248	10	70		CGIERO
CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1	ZINC000217640677	572395709	/nfs/dbraw/zinc/39/57/09/572395709.db2.gz	NGTIPUHUDLIUQK-BFHYXJOUSA-N	1	0	263.381	3.039	10	70		CGIERO
CCCCC[C@@H]([NH3+])c1cc(OC)c(OC)c(OC)c1	ZINC000159612422	346167523	/nfs/dbraw/zinc/16/75/23/346167523.db2.gz	VJTCJDGZZYFKBY-GFCCVEGCSA-N	1	0	267.369	3.293	10	70		CGIERO
Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C2CC2)cc1	ZINC000218298691	542286910	/nfs/dbraw/zinc/28/69/10/542286910.db2.gz	WYOVXGJRSZSJBK-ZACQAIPSSA-N	1	0	259.393	3.339	10	70		CGIERO
COc1ccc(C)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1	ZINC000160798373	533386963	/nfs/dbraw/zinc/38/69/63/533386963.db2.gz	LHURAPOZSLMEDS-AEFFLSMTSA-N	1	0	289.419	3.131	10	70		CGIERO
COc1ccc([C@H]2c3ccccc3CC[N@H+]2C)cc1	ZINC000217473269	346291037	/nfs/dbraw/zinc/29/10/37/346291037.db2.gz	BROHBYNENSOOKK-KRWDZBQOSA-N	1	0	253.345	3.273	10	70		CGIERO
Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc(C)c3)C2)no1	ZINC000161047148	526922894	/nfs/dbraw/zinc/92/28/94/526922894.db2.gz	HSNDBUJYUCFPKM-MRXNPFEDSA-N	1	0	285.391	3.141	10	70		CGIERO
COc1ccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1	ZINC000160098794	188455520	/nfs/dbraw/zinc/45/55/20/188455520.db2.gz	ICKZZCHMRYTMJG-DAXOMENPSA-N	1	0	263.381	3.039	10	70		CGIERO
CC1(C)CO[C@@H](c2ccccc2)CN1CCOCC1CC1	ZINC000160394479	372244705	/nfs/dbraw/zinc/24/47/05/372244705.db2.gz	UBUXCGSNRUBEHP-QGZVFWFLSA-N	1	0	289.419	3.265	10	70		CGIERO
Cn1nccc1C1CCN(Cc2cccc(F)c2F)CC1	ZINC000160519485	372254520	/nfs/dbraw/zinc/25/45/20/372254520.db2.gz	UDHWFCIVNVGSKJ-UHFFFAOYSA-N	1	0	291.345	3.078	10	70		CGIERO
CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(C(C)C)cc1	ZINC000161460928	372327177	/nfs/dbraw/zinc/32/71/77/372327177.db2.gz	ZARUKFIPDWAOGU-SWLSCSKDSA-N	1	0	262.397	3.146	10	70		CGIERO
CCC[C@@H](C(=O)N(C)Cc1ccccc1Cl)[NH+](C)C	ZINC000161220581	321864811	/nfs/dbraw/zinc/86/48/11/321864811.db2.gz	QIQJWNQVVKXLHM-AWEZNQCLSA-N	1	0	282.815	3.029	10	70		CGIERO
c1coc([C@H]2CCCN2CCC[NH+]2CCCCC2)c1	ZINC000161137904	526570747	/nfs/dbraw/zinc/57/07/47/526570747.db2.gz	PVKYPIHHYMMZIY-OAHLLOKOSA-N	1	0	262.397	3.293	10	70		CGIERO
CC[N@H+](CC(=O)N[C@H]1CC[C@H](C)c2ccccc21)C1CC1	ZINC000159618561	372161526	/nfs/dbraw/zinc/16/15/26/372161526.db2.gz	PSWSGDDOKPNREI-GUYCJALGSA-N	1	0	286.419	3.226	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C	ZINC000160433934	372245855	/nfs/dbraw/zinc/24/58/55/372245855.db2.gz	VZRHHJQWONWNGK-CBBWQLFWSA-N	1	0	273.486	3.151	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1cc(C)sc1C)[NH+](C)C	ZINC000161505256	372329195	/nfs/dbraw/zinc/32/91/95/372329195.db2.gz	AYCNXGOIPWXLEF-BXUZGUMPSA-N	1	0	282.453	3.272	10	70		CGIERO
COc1ccc(C)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1	ZINC000160798270	533386603	/nfs/dbraw/zinc/38/66/03/533386603.db2.gz	LHURAPOZSLMEDS-SJLPKXTDSA-N	1	0	289.419	3.131	10	70		CGIERO
CCOc1ccccc1C[NH+]1CCC(c2ccnn2C)CC1	ZINC000160521534	521481688	/nfs/dbraw/zinc/48/16/88/521481688.db2.gz	VTNJEJMCXHFVMH-UHFFFAOYSA-N	1	0	299.418	3.198	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000161334389	523606347	/nfs/dbraw/zinc/60/63/47/523606347.db2.gz	ZFHNPZNJVLLMJW-HOCLYGCPSA-N	1	0	284.407	3.239	10	70		CGIERO
Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160654503	524441334	/nfs/dbraw/zinc/44/13/34/524441334.db2.gz	MJFDUPIVSQAVGP-UHFFFAOYSA-N	1	0	255.365	3.098	10	70		CGIERO
Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1	ZINC000217907983	572401575	/nfs/dbraw/zinc/40/15/75/572401575.db2.gz	QOWDNORKSTVTQR-USXIJHARSA-N	1	0	261.409	3.209	10	70		CGIERO
O[C@]12CCCC[C@@H]1C[N@H+](Cc1ccc3c(c1)CCC3)CC2	ZINC000160763562	232247010	/nfs/dbraw/zinc/24/70/10/232247010.db2.gz	AAMCMLHFBNCHBS-MOPGFXCFSA-N	1	0	285.431	3.302	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)[NH+](C)C	ZINC000161191278	188513600	/nfs/dbraw/zinc/51/36/00/188513600.db2.gz	GMYMQOOGBMBXAL-GFCCVEGCSA-N	1	0	284.787	3.017	10	70		CGIERO
C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)(C)C	ZINC000159791693	296062393	/nfs/dbraw/zinc/06/23/93/296062393.db2.gz	IUAIWEBXGZGDAT-HUUCEWRRSA-N	1	0	295.471	3.081	10	70		CGIERO
CC[N@H+](CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21)C1CC1	ZINC000159618422	372160706	/nfs/dbraw/zinc/16/07/06/372160706.db2.gz	PSWSGDDOKPNREI-SUMWQHHRSA-N	1	0	286.419	3.226	10	70		CGIERO
CCC[C@H](C(=O)Nc1cccc(Br)c1)[NH+](C)C	ZINC000161143652	372305902	/nfs/dbraw/zinc/30/59/02/372305902.db2.gz	OLSWJIMFBGYVHR-GFCCVEGCSA-N	1	0	299.212	3.118	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)[NH+](C)C	ZINC000161239252	321864592	/nfs/dbraw/zinc/86/45/92/321864592.db2.gz	FGNAEELDXAJDLN-BBRMVZONSA-N	1	0	276.424	3.157	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1	ZINC000161331616	523602127	/nfs/dbraw/zinc/60/21/27/523602127.db2.gz	NXAPDPSJURUGNW-MRXNPFEDSA-N	1	0	298.434	3.294	10	70		CGIERO
Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc(C)c3)C2)no1	ZINC000161047244	526920559	/nfs/dbraw/zinc/92/05/59/526920559.db2.gz	HSNDBUJYUCFPKM-INIZCTEOSA-N	1	0	285.391	3.141	10	70		CGIERO
Cc1csc([C@H]2CCC[N@H+](CCOCC3CC3)C2)n1	ZINC000159996754	232243546	/nfs/dbraw/zinc/24/35/46/232243546.db2.gz	QARNEAVMIRKYQM-AWEZNQCLSA-N	1	0	280.437	3.058	10	70		CGIERO
C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(C)(C)C	ZINC000159791441	296063300	/nfs/dbraw/zinc/06/33/00/296063300.db2.gz	IUAIWEBXGZGDAT-CABCVRRESA-N	1	0	295.471	3.081	10	70		CGIERO
CSC[C@H]1CCC[N@@H+]1CCN(C)Cc1ccc(F)cc1	ZINC000160305591	372235489	/nfs/dbraw/zinc/23/54/89/372235489.db2.gz	FKMVVRWIHOLAQU-MRXNPFEDSA-N	1	0	296.455	3.085	10	70		CGIERO
C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12	ZINC000160339303	372239588	/nfs/dbraw/zinc/23/95/88/372239588.db2.gz	FONUJADGZKVXAW-QMTHXVAHSA-N	1	0	276.767	3.155	10	70		CGIERO
CCN1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918249	270085605	/nfs/dbraw/zinc/08/56/05/270085605.db2.gz	AGJJBWYTRRJDOO-IRXDYDNUSA-N	1	0	276.399	3.351	10	70		CGIERO
CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1	ZINC000217913497	376181418	/nfs/dbraw/zinc/18/14/18/376181418.db2.gz	DMJQVCODNSLICY-HUUCEWRRSA-N	1	0	276.424	3.220	10	70		CGIERO
Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160795027	533668053	/nfs/dbraw/zinc/66/80/53/533668053.db2.gz	LWBQJRKYOABDFS-MSOLQXFVSA-N	1	0	273.420	3.430	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+](C)C	ZINC000161175901	321863945	/nfs/dbraw/zinc/86/39/45/321863945.db2.gz	BONFLANHIZZXHI-LBPRGKRZSA-N	1	0	272.751	3.148	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1ccccc1Cl)[NH+](C)C	ZINC000161233998	520986250	/nfs/dbraw/zinc/98/62/50/520986250.db2.gz	DRENIZGKODVDLS-BXUZGUMPSA-N	1	0	282.815	3.248	10	70		CGIERO
CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1	ZINC000217643258	572395238	/nfs/dbraw/zinc/39/52/38/572395238.db2.gz	HPAQORXLNBJBCM-NUEKZKHPSA-N	1	0	277.408	3.428	10	70		CGIERO
CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21	ZINC000159460481	321835127	/nfs/dbraw/zinc/83/51/27/321835127.db2.gz	FBZFFMDBGVFVFE-BBRMVZONSA-N	1	0	274.408	3.083	10	70		CGIERO
COc1cccc2cc([C@H](C)[NH2+][C@H]3CCC[C@@H](O)C3)oc21	ZINC000217625942	572395400	/nfs/dbraw/zinc/39/54/00/572395400.db2.gz	JHLIBJNIENYLTK-FPMFFAJLSA-N	1	0	289.375	3.396	10	70		CGIERO
CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21	ZINC000159589766	372159216	/nfs/dbraw/zinc/15/92/16/372159216.db2.gz	FRZABXNXTRJXKT-BBRMVZONSA-N	1	0	274.408	3.081	10	70		CGIERO
CCSCC[N@@H+]1CCC[C@H](c2nccs2)C1	ZINC000160001718	372203236	/nfs/dbraw/zinc/20/32/36/372203236.db2.gz	ACWLRTGWAPKSJU-NSHDSACASA-N	1	0	256.440	3.076	10	70		CGIERO
CC[C@](C)(O)C[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C	ZINC000161179171	523495468	/nfs/dbraw/zinc/49/54/68/523495468.db2.gz	LEGZQWGLRVTUEM-LXZKKBNFSA-N	1	0	277.408	3.034	10	70		CGIERO
Cc1cc(C)cc(C[NH+]2CCC(c3ccnn3C)CC2)c1	ZINC000160650990	524383172	/nfs/dbraw/zinc/38/31/72/524383172.db2.gz	WZNXUSGURBPUKU-UHFFFAOYSA-N	1	0	283.419	3.417	10	70		CGIERO
Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3C)C2)no1	ZINC000161046337	526922672	/nfs/dbraw/zinc/92/26/72/526922672.db2.gz	RBBPUWRHKZCENO-OAHLLOKOSA-N	1	0	285.391	3.141	10	70		CGIERO
CC[NH+](CC)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159460345	372146035	/nfs/dbraw/zinc/14/60/35/372146035.db2.gz	FBZFFMDBGVFVFE-XJKSGUPXSA-N	1	0	274.408	3.083	10	70		CGIERO
CCC[C@H](C(=O)N[C@H]1CCSc2ccccc21)[NH+](C)C	ZINC000161037400	372296471	/nfs/dbraw/zinc/29/64/71/372296471.db2.gz	WPHPKIFRVNVVJB-UONOGXRCSA-N	1	0	292.448	3.070	10	70		CGIERO
O[C@@]12CCCC[C@@H]1C[N@H+](CCCOc1ccccc1)CC2	ZINC000160791943	372275393	/nfs/dbraw/zinc/27/53/93/372275393.db2.gz	PKKBCJTXCWPDOQ-SJLPKXTDSA-N	1	0	289.419	3.083	10	70		CGIERO
CCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875540	279314862	/nfs/dbraw/zinc/31/48/62/279314862.db2.gz	PAKCVKHWLBUQPM-AEFFLSMTSA-N	1	0	288.435	3.220	10	70		CGIERO
CCC[C@@H](C(=O)Nc1cccc(Br)c1)[NH+](C)C	ZINC000161143521	321863175	/nfs/dbraw/zinc/86/31/75/321863175.db2.gz	OLSWJIMFBGYVHR-LBPRGKRZSA-N	1	0	299.212	3.118	10	70		CGIERO
CCC[C@@H](C(=O)N(C)Cc1ccc(Cl)cc1)[NH+](C)C	ZINC000161220047	321864762	/nfs/dbraw/zinc/86/47/62/321864762.db2.gz	XMHZZHPFZVVYLL-AWEZNQCLSA-N	1	0	282.815	3.029	10	70		CGIERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CCCCCC[NH3+]	ZINC000217825637	535253066	/nfs/dbraw/zinc/25/30/66/535253066.db2.gz	IXBKTCBMYDBTGY-PMPSAXMXSA-N	1	0	282.472	3.473	10	70		CGIERO
COc1ccc([C@H](C)[NH2+]CC(C)(C)O)c2ccccc12	ZINC000160605237	188482660	/nfs/dbraw/zinc/48/26/60/188482660.db2.gz	XGUHTLQHTSUZJV-LBPRGKRZSA-N	1	0	273.376	3.270	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1cccc(C)c1C)[NH+](C)C	ZINC000160090769	372212176	/nfs/dbraw/zinc/21/21/76/372212176.db2.gz	SGMRJXMVIAHUEO-GDBMZVCRSA-N	1	0	276.424	3.211	10	70		CGIERO
CCSCC[N@@H+]1CCCC[C@H]1c1nccs1	ZINC000160007991	372203821	/nfs/dbraw/zinc/20/38/21/372203821.db2.gz	IAIWDJUGBXQNCD-NSHDSACASA-N	1	0	256.440	3.423	10	70		CGIERO
CCn1cc(C2CC[NH+](Cc3ccccc3)CC2)cn1	ZINC000160465012	523355498	/nfs/dbraw/zinc/35/54/98/523355498.db2.gz	ZSGLXQCIKYQGPC-UHFFFAOYSA-N	1	0	269.392	3.283	10	70		CGIERO
Cc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1	ZINC000160520608	524389232	/nfs/dbraw/zinc/38/92/32/524389232.db2.gz	UGTWFZDOCARFKN-UHFFFAOYSA-N	1	0	269.392	3.108	10	70		CGIERO
O[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1	ZINC000217636438	572395516	/nfs/dbraw/zinc/39/55/16/572395516.db2.gz	QJUCPUNCLCJUJB-JZXOWHBKSA-N	1	0	282.387	3.064	10	70		CGIERO
CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1	ZINC000217640833	572395691	/nfs/dbraw/zinc/39/56/91/572395691.db2.gz	NGTIPUHUDLIUQK-MELADBBJSA-N	1	0	263.381	3.039	10	70		CGIERO
CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	ZINC000159589639	372159825	/nfs/dbraw/zinc/15/98/25/372159825.db2.gz	FRZABXNXTRJXKT-CJNGLKHVSA-N	1	0	274.408	3.081	10	70		CGIERO
COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)ccc1F	ZINC000218255212	376187436	/nfs/dbraw/zinc/18/74/36/376187436.db2.gz	ABEZIMRLYYJVDG-NJZAAPMLSA-N	1	0	281.371	3.036	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	ZINC000160433847	321851948	/nfs/dbraw/zinc/85/19/48/321851948.db2.gz	VZRHHJQWONWNGK-BYNSBNAKSA-N	1	0	273.486	3.151	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1	ZINC000161334270	523599268	/nfs/dbraw/zinc/59/92/68/523599268.db2.gz	ZFHNPZNJVLLMJW-GOEBONIOSA-N	1	0	284.407	3.239	10	70		CGIERO
CC(C)[N@H+]1C[C@H](Nc2cc(Cl)nc(C3CC3)n2)[C@@H](C)C1	ZINC000160466056	372249626	/nfs/dbraw/zinc/24/96/26/372249626.db2.gz	SKDHQIOJMCYJBG-JQWIXIFHSA-N	1	0	294.830	3.148	10	70		CGIERO
COc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1	ZINC000218718910	392997823	/nfs/dbraw/zinc/99/78/23/392997823.db2.gz	FMHOSDWVTLUQJM-LBPRGKRZSA-N	1	0	270.170	3.272	10	70		CGIERO
O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1	ZINC000218731225	392999236	/nfs/dbraw/zinc/99/92/36/392999236.db2.gz	BSTSTAYNXOPDNB-YESZJQIVSA-N	1	0	295.373	3.480	10	70		CGIERO
C[C@H]([NH2+]Cc1noc(-c2ccsc2)n1)C(C)(C)C	ZINC000160881879	525496906	/nfs/dbraw/zinc/49/69/06/525496906.db2.gz	ODOPFFZDLZMQAJ-VIFPVBQESA-N	1	0	265.382	3.322	10	70		CGIERO
c1cc(C2CC[NH+](Cc3cccc4cccnc43)CC2)n[nH]1	ZINC000160535489	526419126	/nfs/dbraw/zinc/41/91/26/526419126.db2.gz	AHWKNUKRPIFAGM-UHFFFAOYSA-N	1	0	292.386	3.338	10	70		CGIERO
Cn1nccc1C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000160524369	527599221	/nfs/dbraw/zinc/59/92/21/527599221.db2.gz	KEFXPAXTBBXPOF-UHFFFAOYSA-N	1	0	289.810	3.453	10	70		CGIERO
CCCCC[C@H]([NH3+])c1cc(OC)c(OC)cc1OC	ZINC000159517279	346167812	/nfs/dbraw/zinc/16/78/12/346167812.db2.gz	RNFFQXPLRONCDR-LBPRGKRZSA-N	1	0	267.369	3.293	10	70		CGIERO
COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1	ZINC000160574873	321854498	/nfs/dbraw/zinc/85/44/98/321854498.db2.gz	MMVYOIUFHJMRNQ-OAOQPFQOSA-N	1	0	291.435	3.328	10	70		CGIERO
Cc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C	ZINC000160799082	533954821	/nfs/dbraw/zinc/95/48/21/533954821.db2.gz	XMXCHKGHHADSTE-QZTJIDSGSA-N	1	0	273.420	3.430	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1	ZINC000161286659	523597555	/nfs/dbraw/zinc/59/75/55/523597555.db2.gz	VBPKSBYMIOMTCT-QGZVFWFLSA-N	1	0	298.434	3.110	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1ccc(CC)cc1)[NH+](C)C	ZINC000161239463	372311096	/nfs/dbraw/zinc/31/10/96/372311096.db2.gz	FGNAEELDXAJDLN-CJNGLKHVSA-N	1	0	276.424	3.157	10	70		CGIERO
CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCC2	ZINC000160551306	392582463	/nfs/dbraw/zinc/58/24/63/392582463.db2.gz	FJQFYMXFLKGGTG-SCRDCRAPSA-N	1	0	294.464	3.224	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C	ZINC000160308109	321849991	/nfs/dbraw/zinc/84/99/91/321849991.db2.gz	FXNCGAMFXHNINR-MELADBBJSA-N	1	0	273.486	3.295	10	70		CGIERO
CC[C@@](C)(O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1	ZINC000160774437	529509046	/nfs/dbraw/zinc/50/90/46/529509046.db2.gz	XBAVQXDUYRJJEM-GOSISDBHSA-N	1	0	291.435	3.111	10	70		CGIERO
CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1C	ZINC000159946179	372196449	/nfs/dbraw/zinc/19/64/49/372196449.db2.gz	GVGRICALRNBFAN-BXUZGUMPSA-N	1	0	279.428	3.128	10	70		CGIERO
C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc21	ZINC000159579855	392581139	/nfs/dbraw/zinc/58/11/39/392581139.db2.gz	YZWCVTKEFLHOEN-GUYCJALGSA-N	1	0	286.419	3.083	10	70		CGIERO
c1csc([C@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1	ZINC000160785534	526588194	/nfs/dbraw/zinc/58/81/94/526588194.db2.gz	KGEJHLDCNAKQRK-HNNXBMFYSA-N	1	0	293.480	3.199	10	70		CGIERO
CC(C)(O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C	ZINC000159603229	527328685	/nfs/dbraw/zinc/32/86/85/527328685.db2.gz	LSBNUJLRJNJLOX-HNNXBMFYSA-N	1	0	261.409	3.451	10	70		CGIERO
COc1ccc([C@H](C)[NH2+][C@H]2CCCCC[C@H]2O)cc1	ZINC000160104363	372214645	/nfs/dbraw/zinc/21/46/45/372214645.db2.gz	ICKZZCHMRYTMJG-VBNZEHGJSA-N	1	0	263.381	3.039	10	70		CGIERO
O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCCF)C1	ZINC000161058293	372298490	/nfs/dbraw/zinc/29/84/90/372298490.db2.gz	FHHFAXHJNJVWBX-CHWSQXEVSA-N	1	0	291.288	3.173	10	70		CGIERO
CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)s1	ZINC000160462435	372250628	/nfs/dbraw/zinc/25/06/28/372250628.db2.gz	XWGLBMQWZJFZOP-DRZSPHRISA-N	1	0	282.453	3.216	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[NH+](C)C	ZINC000161508440	321868472	/nfs/dbraw/zinc/86/84/72/321868472.db2.gz	IJTJGUHWTPUGTG-OAHLLOKOSA-N	1	0	273.380	3.145	10	70		CGIERO
Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604410	525417905	/nfs/dbraw/zinc/41/79/05/525417905.db2.gz	YAWFHGLOPRUUPU-LSDHHAIUSA-N	1	0	298.434	3.376	10	70		CGIERO
c1coc([C@@H]2CCCN2CCC[NH+]2CCCCC2)c1	ZINC000161137761	526569799	/nfs/dbraw/zinc/56/97/99/526569799.db2.gz	PVKYPIHHYMMZIY-HNNXBMFYSA-N	1	0	262.397	3.293	10	70		CGIERO
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1OC(F)F	ZINC000217674209	572396678	/nfs/dbraw/zinc/39/66/78/572396678.db2.gz	SSAMLPDMMMWLQM-SDDRHHMPSA-N	1	0	285.334	3.242	10	70		CGIERO
CCc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1	ZINC000160768322	529642303	/nfs/dbraw/zinc/64/23/03/529642303.db2.gz	JOAKWYPLMIQFSP-MSOLQXFVSA-N	1	0	273.420	3.376	10	70		CGIERO
CCCCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1OC	ZINC000159517419	346167826	/nfs/dbraw/zinc/16/78/26/346167826.db2.gz	RNFFQXPLRONCDR-GFCCVEGCSA-N	1	0	267.369	3.293	10	70		CGIERO
COc1cccc(CCC[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1	ZINC000159626582	346168014	/nfs/dbraw/zinc/16/80/14/346168014.db2.gz	QLWAOBBSPJYFGE-ZWKOTPCHSA-N	1	0	289.419	3.271	10	70		CGIERO
CC[C@@H]([NH2+]Cc1cncc(Br)c1)C(C)C	ZINC000160567579	188481088	/nfs/dbraw/zinc/48/10/88/188481088.db2.gz	GFOWRTGJSVRCQO-GFCCVEGCSA-N	1	0	271.202	3.368	10	70		CGIERO
c1ccc(C2=CC[N@H+](CC3=CCCOC3)CC2)cc1	ZINC000159759017	372176767	/nfs/dbraw/zinc/17/67/67/372176767.db2.gz	FJROFCVORYPOQO-UHFFFAOYSA-N	1	0	255.361	3.122	10	70		CGIERO
COc1cccc(CCC[NH+]2CCC(c3cc[nH]n3)CC2)c1	ZINC000160069717	372209221	/nfs/dbraw/zinc/20/92/21/372209221.db2.gz	PCLZOVATYAUSML-UHFFFAOYSA-N	1	0	299.418	3.231	10	70		CGIERO
O[C@@]12CCCC[C@@H]1C[N@H+](Cc1ccc(F)cc1F)CC2	ZINC000160779364	372275762	/nfs/dbraw/zinc/27/57/62/372275762.db2.gz	GTQRIEFLQXYEOS-CZUORRHYSA-N	1	0	281.346	3.092	10	70		CGIERO
CCN1CCC[C@H]1C[NH2+][C@H](c1ccc(OC)cc1)C1CC1	ZINC000217875626	285289465	/nfs/dbraw/zinc/28/94/65/285289465.db2.gz	PAKCVKHWLBUQPM-WMZOPIPTSA-N	1	0	288.435	3.220	10	70		CGIERO
CCN1CCC[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918082	270085406	/nfs/dbraw/zinc/08/54/06/270085406.db2.gz	GUVIKUJXSNATIA-IRXDYDNUSA-N	1	0	260.425	3.458	10	70		CGIERO
CCC[C@H](C(=O)NCc1ccc2ccccc2c1)[NH+](C)C	ZINC000159782381	321840669	/nfs/dbraw/zinc/84/06/69/321840669.db2.gz	JFGOKKHAFFQULP-QGZVFWFLSA-N	1	0	284.403	3.186	10	70		CGIERO
CCC1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1	ZINC000159860579	321841931	/nfs/dbraw/zinc/84/19/31/321841931.db2.gz	LMPUWZLJECVOTC-UHFFFAOYSA-N	1	0	288.435	3.447	10	70		CGIERO
COc1cccc(CCC[N@@H+]2CCS[C@@H](C)C2)c1	ZINC000160582288	525885159	/nfs/dbraw/zinc/88/51/59/525885159.db2.gz	XBKUHODREKOKLT-ZDUSSCGKSA-N	1	0	265.422	3.065	10	70		CGIERO
Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3C)C2)no1	ZINC000161046462	526920036	/nfs/dbraw/zinc/92/00/36/526920036.db2.gz	RBBPUWRHKZCENO-HNNXBMFYSA-N	1	0	285.391	3.141	10	70		CGIERO
COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC[C@@H](O)C3)oc21	ZINC000217625779	572395841	/nfs/dbraw/zinc/39/58/41/572395841.db2.gz	JHLIBJNIENYLTK-IACUBPJLSA-N	1	0	289.375	3.396	10	70		CGIERO
Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1	ZINC000160806332	232246583	/nfs/dbraw/zinc/24/65/83/232246583.db2.gz	DTIZIIJZDWIILB-MSOLQXFVSA-N	1	0	273.420	3.430	10	70		CGIERO
C[C@H](CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C[NH+]1CCCC1	ZINC000161076885	346174259	/nfs/dbraw/zinc/17/42/59/346174259.db2.gz	SSNWYBKLNGYNNG-DJIMGWMZSA-N	1	0	292.467	3.051	10	70		CGIERO
Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604568	372161690	/nfs/dbraw/zinc/16/16/90/372161690.db2.gz	YAWFHGLOPRUUPU-CABCVRRESA-N	1	0	298.434	3.376	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C	ZINC000160307754	392582122	/nfs/dbraw/zinc/58/21/22/392582122.db2.gz	FXNCGAMFXHNINR-MJBXVCDLSA-N	1	0	273.486	3.295	10	70		CGIERO
CCC[C@H](C(=O)NCCc1ccc2ccccc2c1)[NH+](C)C	ZINC000159990530	321844453	/nfs/dbraw/zinc/84/44/53/321844453.db2.gz	QUBQXPLEOAZTJF-GOSISDBHSA-N	1	0	298.430	3.229	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1cccc(Cl)c1)[NH+](C)C	ZINC000161235235	321864773	/nfs/dbraw/zinc/86/47/73/321864773.db2.gz	XFGCIWZDXFBEHX-BXUZGUMPSA-N	1	0	282.815	3.248	10	70		CGIERO
CC(C)C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161109285	519732460	/nfs/dbraw/zinc/73/24/60/519732460.db2.gz	MLNVHAHHEARGJN-ZIAGYGMSSA-N	1	0	287.325	3.469	10	70		CGIERO
CCOc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1	ZINC000160650416	520969564	/nfs/dbraw/zinc/96/95/64/520969564.db2.gz	LVDUFKKXVADIRA-UHFFFAOYSA-N	1	0	299.418	3.198	10	70		CGIERO
C[C@H]1CCC[C@](CNc2cccc(F)n2)([NH+](C)C)C1	ZINC000218122851	376184843	/nfs/dbraw/zinc/18/48/43/376184843.db2.gz	PZIDMRLXNTUWDA-WFASDCNBSA-N	1	0	265.376	3.143	10	70		CGIERO
CC[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1Cl	ZINC000161010503	529372919	/nfs/dbraw/zinc/37/29/19/529372919.db2.gz	ZVAGYCXBIMKTMI-ZDUSSCGKSA-N	1	0	259.752	3.072	10	70		CGIERO
C[C@@H]1CCC[C@@](CNc2cccc(F)n2)([NH+](C)C)C1	ZINC000218122614	376185083	/nfs/dbraw/zinc/18/50/83/376185083.db2.gz	PZIDMRLXNTUWDA-IUODEOHRSA-N	1	0	265.376	3.143	10	70		CGIERO
C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)c2ccccc21	ZINC000159580135	392580480	/nfs/dbraw/zinc/58/04/80/392580480.db2.gz	YZWCVTKEFLHOEN-SUMWQHHRSA-N	1	0	286.419	3.083	10	70		CGIERO
Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000160497155	292337123	/nfs/dbraw/zinc/33/71/23/292337123.db2.gz	CAWGTGOGJAHGMX-XIRDDKMYSA-N	1	0	289.419	3.349	10	70		CGIERO
CCN1CCC[C@@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000217918318	270085552	/nfs/dbraw/zinc/08/55/52/270085552.db2.gz	AGJJBWYTRRJDOO-SJORKVTESA-N	1	0	276.399	3.351	10	70		CGIERO
CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1	ZINC000160517714	278399826	/nfs/dbraw/zinc/39/98/26/278399826.db2.gz	FPYBXADWWRIKNH-CFVMTHIKSA-N	1	0	277.408	3.434	10	70		CGIERO
C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C(C)(C)C	ZINC000159791321	289830342	/nfs/dbraw/zinc/83/03/42/289830342.db2.gz	IUAIWEBXGZGDAT-GJZGRUSLSA-N	1	0	295.471	3.081	10	70		CGIERO
COc1ccc([C@@H]2c3ccccc3CC[N@H+]2C)cc1	ZINC000217473343	346290942	/nfs/dbraw/zinc/29/09/42/346290942.db2.gz	BROHBYNENSOOKK-QGZVFWFLSA-N	1	0	253.345	3.273	10	70		CGIERO
CC[C@H](C(=O)N[C@@H]1CC[C@H](C)c2ccccc21)[NH+](C)C	ZINC000159785573	372179537	/nfs/dbraw/zinc/17/95/37/372179537.db2.gz	NEBSOAJXBKFSGD-APHBMKBZSA-N	1	0	274.408	3.081	10	70		CGIERO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C2(C)CCC2)C1	ZINC000159926298	372194793	/nfs/dbraw/zinc/19/47/93/372194793.db2.gz	RANQJLZKCKKNOA-CYBMUJFWSA-N	1	0	282.428	3.166	10	70		CGIERO
CCC[C@@H](C(=O)NCCc1ccc2ccccc2c1)[NH+](C)C	ZINC000159990406	372201803	/nfs/dbraw/zinc/20/18/03/372201803.db2.gz	QUBQXPLEOAZTJF-SFHVURJKSA-N	1	0	298.430	3.229	10	70		CGIERO
CCC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccccc1	ZINC000160478625	372252376	/nfs/dbraw/zinc/25/23/76/372252376.db2.gz	BFHLCXOYVUAFBH-UHFFFAOYSA-N	1	0	287.407	3.149	10	70		CGIERO
CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161209160	372309741	/nfs/dbraw/zinc/30/97/41/372309741.db2.gz	ZOAXGWSKPCBSCS-QWHCGFSZSA-N	1	0	273.298	3.223	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@H+](CCC2CCCC2)C1	ZINC000160105593	372214672	/nfs/dbraw/zinc/21/46/72/372214672.db2.gz	GUQLQZJIBRXGPG-HNNXBMFYSA-N	1	0	276.428	3.058	10	70		CGIERO
COc1cccc(CCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1	ZINC000160520167	372254606	/nfs/dbraw/zinc/25/46/06/372254606.db2.gz	XHESOWXQRCXZTI-SFHVURJKSA-N	1	0	299.418	3.198	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1cccc(Cl)c1)[NH+](C)C	ZINC000161235144	321864529	/nfs/dbraw/zinc/86/45/29/321864529.db2.gz	XFGCIWZDXFBEHX-RISCZKNCSA-N	1	0	282.815	3.248	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1	ZINC000161415982	523605039	/nfs/dbraw/zinc/60/50/39/523605039.db2.gz	ZXKIAKAZISYFDW-KRWDZBQOSA-N	1	0	298.434	3.294	10	70		CGIERO
CC(C)(O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C	ZINC000159603376	527328416	/nfs/dbraw/zinc/32/84/16/527328416.db2.gz	LSBNUJLRJNJLOX-OAHLLOKOSA-N	1	0	261.409	3.451	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1cccc(C)c1C)[NH+](C)C	ZINC000160090351	372210802	/nfs/dbraw/zinc/21/08/02/372210802.db2.gz	SGMRJXMVIAHUEO-HOCLYGCPSA-N	1	0	276.424	3.211	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[NH+](C)C	ZINC000161176021	372307699	/nfs/dbraw/zinc/30/76/99/372307699.db2.gz	BONFLANHIZZXHI-GFCCVEGCSA-N	1	0	272.751	3.148	10	70		CGIERO
CCC[C@@H](C(=O)Nc1cc(Cl)ccc1C)[NH+](C)C	ZINC000161197292	372309478	/nfs/dbraw/zinc/30/94/78/372309478.db2.gz	IIAROPOLZJGIQS-ZDUSSCGKSA-N	1	0	268.788	3.317	10	70		CGIERO
CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(OC)cc1	ZINC000217642529	572395531	/nfs/dbraw/zinc/39/55/31/572395531.db2.gz	ZQQMIYKTFSDRJV-FMKPAKJESA-N	1	0	263.381	3.039	10	70		CGIERO
Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728580	372173471	/nfs/dbraw/zinc/17/34/71/372173471.db2.gz	NSJUNSIMLIDRCI-LSDHHAIUSA-N	1	0	276.424	3.115	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1cc(C)sc1C)[NH+](C)C	ZINC000161505026	372328609	/nfs/dbraw/zinc/32/86/09/372328609.db2.gz	AYCNXGOIPWXLEF-SMDDNHRTSA-N	1	0	282.453	3.272	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1ccc(CC)cc1)[NH+](C)C	ZINC000161239599	321865391	/nfs/dbraw/zinc/86/53/91/321865391.db2.gz	FGNAEELDXAJDLN-CZUORRHYSA-N	1	0	276.424	3.157	10	70		CGIERO
CCc1csc([C@H]2CCC[N@H+](CCOCC3CC3)C2)n1	ZINC000160015277	529693186	/nfs/dbraw/zinc/69/31/86/529693186.db2.gz	WTBQDWKJQVDCRV-AWEZNQCLSA-N	1	0	294.464	3.312	10	70		CGIERO
Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728201	372174275	/nfs/dbraw/zinc/17/42/75/372174275.db2.gz	NSJUNSIMLIDRCI-CABCVRRESA-N	1	0	276.424	3.115	10	70		CGIERO
Cc1cccc([C@H](C)NCc2nccn2C(F)F)c1	ZINC000160250418	542154268	/nfs/dbraw/zinc/15/42/68/542154268.db2.gz	VNOOXUJQDAQNFJ-NSHDSACASA-N	1	0	265.307	3.437	10	70		CGIERO
Cc1ccc(C)c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160794893	533668743	/nfs/dbraw/zinc/66/87/43/533668743.db2.gz	LWBQJRKYOABDFS-QZTJIDSGSA-N	1	0	273.420	3.430	10	70		CGIERO
COc1ccc(Br)c([C@H]2CCCC[NH2+]2)c1	ZINC000218718990	392998059	/nfs/dbraw/zinc/99/80/59/392998059.db2.gz	FMHOSDWVTLUQJM-GFCCVEGCSA-N	1	0	270.170	3.272	10	70		CGIERO
CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1	ZINC000217681960	270085158	/nfs/dbraw/zinc/08/51/58/270085158.db2.gz	ZUTLWJKXYYWXRJ-SQWLQELKSA-N	1	0	278.440	3.469	10	70		CGIERO
COC(C[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1)OC	ZINC000161251270	522531621	/nfs/dbraw/zinc/53/16/21/522531621.db2.gz	LWLJZWQFQPNXNF-GFCCVEGCSA-N	1	0	298.452	3.065	10	70		CGIERO
C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)(C)C	ZINC000159791577	299093792	/nfs/dbraw/zinc/09/37/92/299093792.db2.gz	IUAIWEBXGZGDAT-LSDHHAIUSA-N	1	0	295.471	3.081	10	70		CGIERO
CCC[C@H](C(=O)Nc1cc(Cl)ccc1C)[NH+](C)C	ZINC000161197411	372309634	/nfs/dbraw/zinc/30/96/34/372309634.db2.gz	IIAROPOLZJGIQS-CYBMUJFWSA-N	1	0	268.788	3.317	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1cc(C)sc1C)[NH+](C)C	ZINC000161505138	188531677	/nfs/dbraw/zinc/53/16/77/188531677.db2.gz	AYCNXGOIPWXLEF-RISCZKNCSA-N	1	0	282.453	3.272	10	70		CGIERO
Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604284	372160520	/nfs/dbraw/zinc/16/05/20/372160520.db2.gz	YAWFHGLOPRUUPU-HUUCEWRRSA-N	1	0	298.434	3.376	10	70		CGIERO
Cc1ccccc1[C@H](C)[NH2+][C@H]1CCc2nc(C(C)C)nn2C1	ZINC000159604725	372160566	/nfs/dbraw/zinc/16/05/66/372160566.db2.gz	YAWFHGLOPRUUPU-GJZGRUSLSA-N	1	0	298.434	3.376	10	70		CGIERO
Cc1nc(C[C@@H]2CCC[N@H+](CCC3CCCC3)C2)no1	ZINC000160093151	372213001	/nfs/dbraw/zinc/21/30/01/372213001.db2.gz	MMRIGJPAKPHWBK-HNNXBMFYSA-N	1	0	277.412	3.213	10	70		CGIERO
C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1N(C)C	ZINC000160598941	372260759	/nfs/dbraw/zinc/26/07/59/372260759.db2.gz	YUHCRGJAHCLAIT-DCGLDWPTSA-N	1	0	294.414	3.093	10	70		CGIERO
CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)c1ccc(C(C)C)cc1	ZINC000161460843	372327312	/nfs/dbraw/zinc/32/73/12/372327312.db2.gz	ZARUKFIPDWAOGU-IUODEOHRSA-N	1	0	262.397	3.146	10	70		CGIERO
CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(CC)C1	ZINC000217913577	376181674	/nfs/dbraw/zinc/18/16/74/376181674.db2.gz	DMJQVCODNSLICY-CABCVRRESA-N	1	0	276.424	3.220	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1ccc(CC)cc1)[NH+](C)C	ZINC000161239372	321864609	/nfs/dbraw/zinc/86/46/09/321864609.db2.gz	FGNAEELDXAJDLN-XJKSGUPXSA-N	1	0	276.424	3.157	10	70		CGIERO
CCC[C@H](C(=O)NCC(C)(C)Cc1ccccc1)[NH+](C)C	ZINC000160907779	372287716	/nfs/dbraw/zinc/28/77/16/372287716.db2.gz	UAVDCKHXNQTBCA-MRXNPFEDSA-N	1	0	290.451	3.102	10	70		CGIERO
CC(C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161109420	519731952	/nfs/dbraw/zinc/73/19/52/519731952.db2.gz	MLNVHAHHEARGJN-UONOGXRCSA-N	1	0	287.325	3.469	10	70		CGIERO
Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)CC2	ZINC000160472437	527198555	/nfs/dbraw/zinc/19/85/55/527198555.db2.gz	SFOMEIRYUHRHKA-QLFBSQMISA-N	1	0	290.455	3.096	10	70		CGIERO
Cn1nccc1C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000160524906	527599639	/nfs/dbraw/zinc/59/96/39/527599639.db2.gz	FEFSTCMEBMEKGQ-UHFFFAOYSA-N	1	0	289.810	3.453	10	70		CGIERO
CC[C@](C)(O)C[NH+]1CCC(Cc2ccc(OC)cc2)CC1	ZINC000160774311	529374204	/nfs/dbraw/zinc/37/42/04/529374204.db2.gz	XBAVQXDUYRJJEM-SFHVURJKSA-N	1	0	291.435	3.111	10	70		CGIERO
CCN=C=NCCC[N+](C)(C)Cc1ccc(C)cc1	ZINC000148733831	717153672	/nfs/dbraw/zinc/15/36/72/717153672.db2.gz	YYPWUDLNATYIRR-UHFFFAOYSA-N	1	0	260.405	3.155	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C	ZINC000160307880	372236059	/nfs/dbraw/zinc/23/60/59/372236059.db2.gz	FXNCGAMFXHNINR-IHRRRGAJSA-N	1	0	273.486	3.295	10	70		CGIERO
CCSCC[N@@H+]1CCC[C@@H](c2nccs2)C1	ZINC000160001864	372203327	/nfs/dbraw/zinc/20/33/27/372203327.db2.gz	ACWLRTGWAPKSJU-LLVKDONJSA-N	1	0	256.440	3.076	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc(Br)cc1)[NH+](C)C	ZINC000161143127	321863493	/nfs/dbraw/zinc/86/34/93/321863493.db2.gz	KYJVCIQRGFMXNB-GFCCVEGCSA-N	1	0	299.212	3.118	10	70		CGIERO
C[C@H]([NH2+]CC(C)(C)O)c1ccccc1OC(F)(F)F	ZINC000160596041	525311666	/nfs/dbraw/zinc/31/16/66/525311666.db2.gz	IRCXYHVULZIXSH-VIFPVBQESA-N	1	0	277.286	3.007	10	70		CGIERO
CCC[C@H](C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C)[NH+](C)C	ZINC000159780020	372179317	/nfs/dbraw/zinc/17/93/17/372179317.db2.gz	LSYONVITXKYURA-BHYGNILZSA-N	1	0	288.435	3.121	10	70		CGIERO
Cc1cccc([C@@H](C)NCc2ncnn2C(C)C)c1	ZINC000160218498	372225519	/nfs/dbraw/zinc/22/55/19/372225519.db2.gz	NZLRWHPQFNIVKO-CYBMUJFWSA-N	1	0	258.369	3.018	10	70		CGIERO
C(=C/c1ccccc1)\C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160654628	518371038	/nfs/dbraw/zinc/37/10/38/518371038.db2.gz	OUEBMPJHSCTHQC-QPJJXVBHSA-N	1	0	267.376	3.303	10	70		CGIERO
CCc1csc([C@@H]2CCC[N@H+](CCOCC3CC3)C2)n1	ZINC000160015137	529692975	/nfs/dbraw/zinc/69/29/75/529692975.db2.gz	WTBQDWKJQVDCRV-CQSZACIVSA-N	1	0	294.464	3.312	10	70		CGIERO
CCSCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1	ZINC000159997359	372203408	/nfs/dbraw/zinc/20/34/08/372203408.db2.gz	AQXORRHPDFITAM-GFCCVEGCSA-N	1	0	270.467	3.384	10	70		CGIERO
CCC[C@H](C(=O)N(C)Cc1cccc(Cl)c1)[NH+](C)C	ZINC000161226533	372311486	/nfs/dbraw/zinc/31/14/86/372311486.db2.gz	QRUBKFDXPDMLRQ-CQSZACIVSA-N	1	0	282.815	3.029	10	70		CGIERO
CCC[C@H](C(=O)Nc1cccc(C(C)C)c1)[NH+](C)C	ZINC000161250867	372312902	/nfs/dbraw/zinc/31/29/02/372312902.db2.gz	VOGAXRJVLJBXCT-OAHLLOKOSA-N	1	0	262.397	3.479	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc2[nH]c(C)cc2c1)[NH+](C)C	ZINC000161508327	372331653	/nfs/dbraw/zinc/33/16/53/372331653.db2.gz	IJTJGUHWTPUGTG-HNNXBMFYSA-N	1	0	273.380	3.145	10	70		CGIERO
Cc1ccccc1C[NH+]1CCC(c2ccnn2C)CC1	ZINC000160518690	525140081	/nfs/dbraw/zinc/14/00/81/525140081.db2.gz	UBULAAKAQDAGBB-UHFFFAOYSA-N	1	0	269.392	3.108	10	70		CGIERO
CCOc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160539746	521480949	/nfs/dbraw/zinc/48/09/49/521480949.db2.gz	KIOSKNWCIIOLAV-UHFFFAOYSA-N	1	0	285.391	3.188	10	70		CGIERO
C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC/C=C/c1ccccc1	ZINC000160262746	372232212	/nfs/dbraw/zinc/23/22/12/372232212.db2.gz	DTCCLVJISKGJST-JUCJDPDUSA-N	1	0	298.430	3.175	10	70		CGIERO
CCSCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1	ZINC000159997207	372203435	/nfs/dbraw/zinc/20/34/35/372203435.db2.gz	AQXORRHPDFITAM-LBPRGKRZSA-N	1	0	270.467	3.384	10	70		CGIERO
CCN1CCC[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C1	ZINC000217918149	270085594	/nfs/dbraw/zinc/08/55/94/270085594.db2.gz	GUVIKUJXSNATIA-SJORKVTESA-N	1	0	260.425	3.458	10	70		CGIERO
CCn1cc(C2CC[NH+](Cc3ccccc3F)CC2)cn1	ZINC000160465870	523358095	/nfs/dbraw/zinc/35/80/95/523358095.db2.gz	WBPGSLYYYSNOJL-UHFFFAOYSA-N	1	0	287.382	3.422	10	70		CGIERO
Cc1cc(C)cc(C[NH+]2CCC(c3cc[nH]n3)CC2)c1	ZINC000160654777	524384567	/nfs/dbraw/zinc/38/45/67/524384567.db2.gz	DREWIWZURQDVBU-UHFFFAOYSA-N	1	0	269.392	3.406	10	70		CGIERO
CC[C@](C)(O)C[NH+]1CCC(Cc2ccccc2OC)CC1	ZINC000160838835	529374107	/nfs/dbraw/zinc/37/41/07/529374107.db2.gz	DIJUSVWDAONOLQ-SFHVURJKSA-N	1	0	291.435	3.111	10	70		CGIERO
O[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1	ZINC000217657034	572395299	/nfs/dbraw/zinc/39/52/99/572395299.db2.gz	NTIXHPZIZCXCLC-ZMSDIMECSA-N	1	0	259.393	3.347	10	70		CGIERO
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(OC(F)F)c1	ZINC000217627781	572395723	/nfs/dbraw/zinc/39/57/23/572395723.db2.gz	HISIQUVANZTDOO-WCFLWFBJSA-N	1	0	285.334	3.242	10	70		CGIERO
Cc1cc(C)cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160806208	232247028	/nfs/dbraw/zinc/24/70/28/232247028.db2.gz	DTIZIIJZDWIILB-QZTJIDSGSA-N	1	0	273.420	3.430	10	70		CGIERO
C[C@H]1CCC[C@@](CNc2cccc(F)n2)([NH+](C)C)C1	ZINC000218122685	138492962	/nfs/dbraw/zinc/49/29/62/138492962.db2.gz	PZIDMRLXNTUWDA-SWLSCSKDSA-N	1	0	265.376	3.143	10	70		CGIERO
Cn1nccc1C1CC[NH+](CCC2CCCC2)CC1	ZINC000160066041	165476395	/nfs/dbraw/zinc/47/63/95/165476395.db2.gz	LYHWJIRDNIXUME-UHFFFAOYSA-N	1	0	261.413	3.180	10	70		CGIERO
CC[NH+](CC)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	ZINC000159460727	372146225	/nfs/dbraw/zinc/14/62/25/372146225.db2.gz	FBZFFMDBGVFVFE-CJNGLKHVSA-N	1	0	274.408	3.083	10	70		CGIERO
C[C@@H]1CCC[C@](CNc2cccc(F)n2)([NH+](C)C)C1	ZINC000218122764	376185126	/nfs/dbraw/zinc/18/51/26/376185126.db2.gz	PZIDMRLXNTUWDA-DOMZBBRYSA-N	1	0	265.376	3.143	10	70		CGIERO
CCCn1nccc1C[NH2+][C@H]1CCc2ccccc21	ZINC000159981416	542152020	/nfs/dbraw/zinc/15/20/20/542152020.db2.gz	QQZFCUAOOZJCAP-INIZCTEOSA-N	1	0	255.365	3.070	10	70		CGIERO
CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1C	ZINC000159946398	165472870	/nfs/dbraw/zinc/47/28/70/165472870.db2.gz	GVGRICALRNBFAN-RISCZKNCSA-N	1	0	279.428	3.128	10	70		CGIERO
Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)CCCO2	ZINC000160554389	281118616	/nfs/dbraw/zinc/11/86/16/281118616.db2.gz	BKHCTEVNDXXUNN-UAGQMJEPSA-N	1	0	289.419	3.349	10	70		CGIERO
CCC[C@@H](C(=O)NCC(C)(C)Cc1ccccc1)[NH+](C)C	ZINC000160907652	321860065	/nfs/dbraw/zinc/86/00/65/321860065.db2.gz	UAVDCKHXNQTBCA-INIZCTEOSA-N	1	0	290.451	3.102	10	70		CGIERO
Cc1ccc(C[NH+]2CCC(c3ccnn3C)CC2)cc1	ZINC000160650578	524439862	/nfs/dbraw/zinc/43/98/62/524439862.db2.gz	PQFSSYIACHTPLL-UHFFFAOYSA-N	1	0	269.392	3.108	10	70		CGIERO
O[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccccn2)C1	ZINC000217636526	572395478	/nfs/dbraw/zinc/39/54/78/572395478.db2.gz	QJUCPUNCLCJUJB-NUJGCVRESA-N	1	0	282.387	3.064	10	70		CGIERO
Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1	ZINC000217908152	572401661	/nfs/dbraw/zinc/40/16/61/572401661.db2.gz	QOWDNORKSTVTQR-BHYGNILZSA-N	1	0	261.409	3.209	10	70		CGIERO
O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)[N@H+](CCCF)C1	ZINC000161058061	372299018	/nfs/dbraw/zinc/29/90/18/372299018.db2.gz	FHHFAXHJNJVWBX-QWHCGFSZSA-N	1	0	291.288	3.173	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[NH+](C)C	ZINC000161234913	372310827	/nfs/dbraw/zinc/31/08/27/372310827.db2.gz	XFGCIWZDXFBEHX-FZMZJTMJSA-N	1	0	282.815	3.248	10	70		CGIERO
CCC[C@@H](C(=O)Nc1ccc(Cl)cc1C)[NH+](C)C	ZINC000161319378	372316601	/nfs/dbraw/zinc/31/66/01/372316601.db2.gz	BNQAKNVPRGFNCC-ZDUSSCGKSA-N	1	0	268.788	3.317	10	70		CGIERO
CCCn1nccc1C[NH2+][C@@H](C)c1ccccc1C	ZINC000159979123	542152199	/nfs/dbraw/zinc/15/21/99/542152199.db2.gz	LVRCEDBOHOOJOG-AWEZNQCLSA-N	1	0	257.381	3.452	10	70		CGIERO
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCC(C(N)=O)CC1	ZINC000217594647	270085369	/nfs/dbraw/zinc/08/53/69/270085369.db2.gz	USMRJFIOFDSOJG-WNZFAQLISA-N	1	0	280.456	3.081	10	70		CGIERO
CCC[C@H](C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C)[NH+](C)C	ZINC000159779731	321840272	/nfs/dbraw/zinc/84/02/72/321840272.db2.gz	LSYONVITXKYURA-USXIJHARSA-N	1	0	288.435	3.121	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C	ZINC000160434023	321851889	/nfs/dbraw/zinc/85/18/89/321851889.db2.gz	VZRHHJQWONWNGK-ZQDZILKHSA-N	1	0	273.486	3.151	10	70		CGIERO
CCn1cc(C2CC[NH+](Cc3cccc(OC)c3)CC2)cn1	ZINC000160638397	523357570	/nfs/dbraw/zinc/35/75/70/523357570.db2.gz	YVSZHMWCFSIHFE-UHFFFAOYSA-N	1	0	299.418	3.291	10	70		CGIERO
CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1	ZINC000217638968	572395268	/nfs/dbraw/zinc/39/52/68/572395268.db2.gz	OPNBGRYFHRQWJL-NWANDNLSSA-N	1	0	263.381	3.039	10	70		CGIERO
CCc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1	ZINC000160768158	529642544	/nfs/dbraw/zinc/64/25/44/529642544.db2.gz	JOAKWYPLMIQFSP-QZTJIDSGSA-N	1	0	273.420	3.376	10	70		CGIERO
C[C@H](CNC(=O)[C@H]1C[C@@H]1C1CCCCC1)C[NH+]1CCCC1	ZINC000161077097	346174171	/nfs/dbraw/zinc/17/41/71/346174171.db2.gz	SSNWYBKLNGYNNG-OIISXLGYSA-N	1	0	292.467	3.051	10	70		CGIERO
Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728320	372174242	/nfs/dbraw/zinc/17/42/42/372174242.db2.gz	NSJUNSIMLIDRCI-GJZGRUSLSA-N	1	0	276.424	3.115	10	70		CGIERO
CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(OC)cc1	ZINC000217642697	572395192	/nfs/dbraw/zinc/39/51/92/572395192.db2.gz	ZQQMIYKTFSDRJV-LZWOXQAQSA-N	1	0	263.381	3.039	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1cccc(C)c1C)[NH+](C)C	ZINC000160090603	321846246	/nfs/dbraw/zinc/84/62/46/321846246.db2.gz	SGMRJXMVIAHUEO-ZBFHGGJFSA-N	1	0	276.424	3.211	10	70		CGIERO
CCC[C@@H](C(=O)N(C)Cc1cccc(Cl)c1)[NH+](C)C	ZINC000161226404	321864915	/nfs/dbraw/zinc/86/49/15/321864915.db2.gz	QRUBKFDXPDMLRQ-AWEZNQCLSA-N	1	0	282.815	3.029	10	70		CGIERO
C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1OC(F)(F)F	ZINC000160596165	525417072	/nfs/dbraw/zinc/41/70/72/525417072.db2.gz	IRCXYHVULZIXSH-SECBINFHSA-N	1	0	277.286	3.007	10	70		CGIERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cc2ccccc2o1	ZINC000217646384	572395660	/nfs/dbraw/zinc/39/56/60/572395660.db2.gz	RMMSNULHHOSKMQ-IACUBPJLSA-N	1	0	259.349	3.387	10	70		CGIERO
C[N@@H+]1CCC[C@H](CNc2ccnc3c(F)cc(F)cc23)C1	ZINC000159398286	372138973	/nfs/dbraw/zinc/13/89/73/372138973.db2.gz	JFTOQDGAYLNPSG-LLVKDONJSA-N	1	0	291.345	3.267	10	70		CGIERO
COc1ccc([C@@H](C)[NH2+]CC(C)(C)O)c2ccccc12	ZINC000160605360	372260697	/nfs/dbraw/zinc/26/06/97/372260697.db2.gz	XGUHTLQHTSUZJV-GFCCVEGCSA-N	1	0	273.376	3.270	10	70		CGIERO
CCC[C@@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C	ZINC000161237442	321864794	/nfs/dbraw/zinc/86/47/94/321864794.db2.gz	UMYBWCFLBZFNPV-FZMZJTMJSA-N	1	0	282.815	3.248	10	70		CGIERO
O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1	ZINC000218731074	392999719	/nfs/dbraw/zinc/99/97/19/392999719.db2.gz	BSTSTAYNXOPDNB-IXDOHACOSA-N	1	0	295.373	3.480	10	70		CGIERO
c1coc([C@@H]2CCC[N@H+]2Cc2cnc3ccccn23)c1	ZINC000160470211	526569098	/nfs/dbraw/zinc/56/90/98/526569098.db2.gz	PKMLOIRCDXTLSE-AWEZNQCLSA-N	1	0	267.332	3.264	10	70		CGIERO
CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1	ZINC000217643432	572395795	/nfs/dbraw/zinc/39/57/95/572395795.db2.gz	HPAQORXLNBJBCM-CWRNSKLLSA-N	1	0	277.408	3.428	10	70		CGIERO
CC[C@@](C)(O)C[NH+]1CCC(Cc2ccccc2OC)CC1	ZINC000160838949	529509050	/nfs/dbraw/zinc/50/90/50/529509050.db2.gz	DIJUSVWDAONOLQ-GOSISDBHSA-N	1	0	291.435	3.111	10	70		CGIERO
CC[NH+](CC)[C@@H](C)CNC(=O)CC/C=C/c1ccccc1	ZINC000160065987	346170306	/nfs/dbraw/zinc/17/03/06/346170306.db2.gz	IIFGZTCUYNPDNQ-WQMJKPAKSA-N	1	0	288.435	3.327	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H]1CCSc2ccccc21)[NH+](C)C	ZINC000161037284	372296770	/nfs/dbraw/zinc/29/67/70/372296770.db2.gz	WPHPKIFRVNVVJB-KBPBESRZSA-N	1	0	292.448	3.070	10	70		CGIERO
COc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1	ZINC000160104218	286370097	/nfs/dbraw/zinc/37/00/97/286370097.db2.gz	ICKZZCHMRYTMJG-APHBMKBZSA-N	1	0	263.381	3.039	10	70		CGIERO
c1csc([C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)n1	ZINC000160785413	526586079	/nfs/dbraw/zinc/58/60/79/526586079.db2.gz	KGEJHLDCNAKQRK-OAHLLOKOSA-N	1	0	293.480	3.199	10	70		CGIERO
CC[N@@H+]1CCCN(c2ccnc3c(F)cc(F)cc23)CC1	ZINC000159398773	372139087	/nfs/dbraw/zinc/13/90/87/372139087.db2.gz	ZAGRZEQKBWORBJ-UHFFFAOYSA-N	1	0	291.345	3.045	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@H+](CCC2CCCC2)C1	ZINC000160105457	372214306	/nfs/dbraw/zinc/21/43/06/372214306.db2.gz	GUQLQZJIBRXGPG-OAHLLOKOSA-N	1	0	276.428	3.058	10	70		CGIERO
CC(C)N(CC[N@H+](C)Cc1ccc(F)cc1)CC(F)F	ZINC000160303812	372235615	/nfs/dbraw/zinc/23/56/15/372235615.db2.gz	NZVGAYNCNSLGEE-UHFFFAOYSA-N	1	0	288.357	3.233	10	70		CGIERO
COc1cccc([C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1	ZINC000160718188	372269460	/nfs/dbraw/zinc/26/94/60/372269460.db2.gz	CCHZKLUNUQLUAS-YXJHDRRASA-N	1	0	289.419	3.383	10	70		CGIERO
COc1c(CN(C)Cc2cccc(Cl)c2)c(C)nn1C	ZINC000161131744	372304213	/nfs/dbraw/zinc/30/42/13/372304213.db2.gz	PGKAKLXXZWQENH-UHFFFAOYSA-N	1	0	293.798	3.023	10	70		CGIERO
C[C@H](C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1	ZINC000161149052	372306113	/nfs/dbraw/zinc/30/61/13/372306113.db2.gz	QUCDEWYMAOMEKN-KBAYOESNSA-N	1	0	273.420	3.417	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1ccccc1Cl)[NH+](C)C	ZINC000161233878	520594273	/nfs/dbraw/zinc/59/42/73/520594273.db2.gz	DRENIZGKODVDLS-RISCZKNCSA-N	1	0	282.815	3.248	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1ccccc1Cl)[NH+](C)C	ZINC000161233749	520984153	/nfs/dbraw/zinc/98/41/53/520984153.db2.gz	DRENIZGKODVDLS-SMDDNHRTSA-N	1	0	282.815	3.248	10	70		CGIERO
c1coc([C@H]2CCC[N@H+]2Cc2cnc3ccccn23)c1	ZINC000160470064	526570768	/nfs/dbraw/zinc/57/07/68/526570768.db2.gz	PKMLOIRCDXTLSE-CQSZACIVSA-N	1	0	267.332	3.264	10	70		CGIERO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]C2(C)CCC2)C1	ZINC000159926166	321843228	/nfs/dbraw/zinc/84/32/28/321843228.db2.gz	RANQJLZKCKKNOA-ZDUSSCGKSA-N	1	0	282.428	3.166	10	70		CGIERO
COC(C[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1)OC	ZINC000161251401	522533657	/nfs/dbraw/zinc/53/36/57/522533657.db2.gz	LWLJZWQFQPNXNF-LBPRGKRZSA-N	1	0	298.452	3.065	10	70		CGIERO
Cc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1C	ZINC000160799221	533948961	/nfs/dbraw/zinc/94/89/61/533948961.db2.gz	XMXCHKGHHADSTE-MSOLQXFVSA-N	1	0	273.420	3.430	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1	ZINC000161414689	523596801	/nfs/dbraw/zinc/59/68/01/523596801.db2.gz	FOLJWUBXFXAEBY-DKISHCGFSA-N	1	0	296.418	3.191	10	70		CGIERO
CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2)C1	ZINC000161415863	523600648	/nfs/dbraw/zinc/60/06/48/523600648.db2.gz	ZXKIAKAZISYFDW-QGZVFWFLSA-N	1	0	298.434	3.294	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1	ZINC000161286767	523605377	/nfs/dbraw/zinc/60/53/77/523605377.db2.gz	VBPKSBYMIOMTCT-KRWDZBQOSA-N	1	0	298.434	3.110	10	70		CGIERO
CCCCC[C@H]([NH3+])c1cc(OC)c(OC)c(OC)c1	ZINC000159612309	346167686	/nfs/dbraw/zinc/16/76/86/346167686.db2.gz	VJTCJDGZZYFKBY-LBPRGKRZSA-N	1	0	267.369	3.293	10	70		CGIERO
CSC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C	ZINC000160307992	372235909	/nfs/dbraw/zinc/23/59/09/372235909.db2.gz	FXNCGAMFXHNINR-BFHYXJOUSA-N	1	0	273.486	3.295	10	70		CGIERO
O[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCCF)C1	ZINC000161057930	372298862	/nfs/dbraw/zinc/29/88/62/372298862.db2.gz	FHHFAXHJNJVWBX-STQMWFEESA-N	1	0	291.288	3.173	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc(SC)cc1)[NH+](C)C	ZINC000161312148	372315613	/nfs/dbraw/zinc/31/56/13/372315613.db2.gz	PUCIJIWITBAVNM-CYBMUJFWSA-N	1	0	266.410	3.077	10	70		CGIERO
CCn1cnnc1[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1	ZINC000161331727	523603335	/nfs/dbraw/zinc/60/33/35/523603335.db2.gz	NXAPDPSJURUGNW-INIZCTEOSA-N	1	0	298.434	3.294	10	70		CGIERO
Fc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1F	ZINC000160539185	346171605	/nfs/dbraw/zinc/17/16/05/346171605.db2.gz	PNLJETSIMRCCDA-UHFFFAOYSA-N	1	0	277.318	3.068	10	70		CGIERO
Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)c(C)c1	ZINC000159728453	372174433	/nfs/dbraw/zinc/17/44/33/372174433.db2.gz	NSJUNSIMLIDRCI-HUUCEWRRSA-N	1	0	276.424	3.115	10	70		CGIERO
c1ccc(NC[C@H]2CC[N@@H+](CCC3CCCC3)C2)nc1	ZINC000160083839	372211119	/nfs/dbraw/zinc/21/11/19/372211119.db2.gz	GSRQTZMBQOFGBB-MRXNPFEDSA-N	1	0	273.424	3.396	10	70		CGIERO
CCC[C@@H](C(=O)Nc1cc(Cl)cc(C)c1O)[NH+](C)C	ZINC000160492083	372251456	/nfs/dbraw/zinc/25/14/56/372251456.db2.gz	SSAINLCSSKHUII-LBPRGKRZSA-N	1	0	284.787	3.023	10	70		CGIERO
CC[C@H]([NH2+]Cc1cncc(Br)c1)C(C)C	ZINC000160567445	372257399	/nfs/dbraw/zinc/25/73/99/372257399.db2.gz	GFOWRTGJSVRCQO-LBPRGKRZSA-N	1	0	271.202	3.368	10	70		CGIERO
Cc1cccc([C@@H](C)NCc2nccn2C(F)F)c1	ZINC000160224751	542153905	/nfs/dbraw/zinc/15/39/05/542153905.db2.gz	VNOOXUJQDAQNFJ-LLVKDONJSA-N	1	0	265.307	3.437	10	70		CGIERO
Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C2CC2)cc1	ZINC000218298806	542286945	/nfs/dbraw/zinc/28/69/45/542286945.db2.gz	WYOVXGJRSZSJBK-BBWFWOEESA-N	1	0	259.393	3.339	10	70		CGIERO
CCC[C@H](C(=O)N(C)Cc1ccccc1Cl)[NH+](C)C	ZINC000161220721	321864544	/nfs/dbraw/zinc/86/45/44/321864544.db2.gz	QIQJWNQVVKXLHM-CQSZACIVSA-N	1	0	282.815	3.029	10	70		CGIERO
Clc1ccccc1C[NH+]1CCC(c2cc[nH]n2)CC1	ZINC000160543995	526987943	/nfs/dbraw/zinc/98/79/43/526987943.db2.gz	QDTALEQSDCBDMI-UHFFFAOYSA-N	1	0	275.783	3.443	10	70		CGIERO
Cc1nc(C[C@H]2CCC[N@H+](CCC3CCCC3)C2)no1	ZINC000160093297	372212358	/nfs/dbraw/zinc/21/23/58/372212358.db2.gz	MMRIGJPAKPHWBK-OAHLLOKOSA-N	1	0	277.412	3.213	10	70		CGIERO
Cc1cccc([C@@H](C)[NH2+]Cc2cc(C(N)=O)cs2)c1	ZINC000160157754	372220644	/nfs/dbraw/zinc/22/06/44/372220644.db2.gz	KAPSTUAYAPQFCS-LLVKDONJSA-N	1	0	274.389	3.006	10	70		CGIERO
O[C@@H]1CCC[C@H]([NH2+][C@H](c2ccc(F)cc2)C2CC2)C1	ZINC000218307003	542286618	/nfs/dbraw/zinc/28/66/18/542286618.db2.gz	BPUPZNVUYQVNEJ-XHSDSOJGSA-N	1	0	263.356	3.170	10	70		CGIERO
COc1cccc(CCC[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1	ZINC000159626442	346167925	/nfs/dbraw/zinc/16/79/25/346167925.db2.gz	QLWAOBBSPJYFGE-ROUUACIJSA-N	1	0	289.419	3.271	10	70		CGIERO
CCC[C@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)[NH+](C)C	ZINC000161237709	372310923	/nfs/dbraw/zinc/31/09/23/372310923.db2.gz	UMYBWCFLBZFNPV-BXUZGUMPSA-N	1	0	282.815	3.248	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+](C)C	ZINC000161237536	321864727	/nfs/dbraw/zinc/86/47/27/321864727.db2.gz	UMYBWCFLBZFNPV-SMDDNHRTSA-N	1	0	282.815	3.248	10	70		CGIERO
Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)CC2	ZINC000160472683	527198711	/nfs/dbraw/zinc/19/87/11/527198711.db2.gz	SFOMEIRYUHRHKA-ILXRZTDVSA-N	1	0	290.455	3.096	10	70		CGIERO
O[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1	ZINC000217657123	572395652	/nfs/dbraw/zinc/39/56/52/572395652.db2.gz	NTIXHPZIZCXCLC-BFYDXBDKSA-N	1	0	259.393	3.347	10	70		CGIERO
CCSCC[NH+]1CCC(c2nc(C)cs2)CC1	ZINC000159990608	372201528	/nfs/dbraw/zinc/20/15/28/372201528.db2.gz	FJRSJRUSBGLKNW-UHFFFAOYSA-N	1	0	270.467	3.384	10	70		CGIERO
C[C@@H]1C[C@H]([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC(C)(C)C1	ZINC000217669287	270085141	/nfs/dbraw/zinc/08/51/41/270085141.db2.gz	VPSXUGOXEQRMEG-QXSJWSMHSA-N	1	0	264.457	3.418	10	70		CGIERO
C1CC1N1CCC([NH2+][C@H]2C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)CC1	ZINC000217791822	276849440	/nfs/dbraw/zinc/84/94/40/276849440.db2.gz	JMXSSWSUDAFZCV-WRJYRGCMSA-N	1	0	274.452	3.028	10	70		CGIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2cc(Cl)nc(C3CC3)n2)C1	ZINC000160465925	372249278	/nfs/dbraw/zinc/24/92/78/372249278.db2.gz	SKDHQIOJMCYJBG-PWSUYJOCSA-N	1	0	294.830	3.148	10	70		CGIERO
C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O	ZINC000160522061	372253546	/nfs/dbraw/zinc/25/35/46/372253546.db2.gz	NHVWRHSXJNTEML-NQZOLGFYSA-N	1	0	259.393	3.061	10	70		CGIERO
C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(OC(F)F)cc1	ZINC000217624246	572395611	/nfs/dbraw/zinc/39/56/11/572395611.db2.gz	AZMGSYRCBMIFKA-WCFLWFBJSA-N	1	0	285.334	3.242	10	70		CGIERO
CC[NH+](CC)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21	ZINC000159460613	372145899	/nfs/dbraw/zinc/14/58/99/372145899.db2.gz	FBZFFMDBGVFVFE-CZUORRHYSA-N	1	0	274.408	3.083	10	70		CGIERO
c1ccc(NC[C@@H]2CC[N@@H+](CCC3CCCC3)C2)nc1	ZINC000160083721	372210964	/nfs/dbraw/zinc/21/09/64/372210964.db2.gz	GSRQTZMBQOFGBB-INIZCTEOSA-N	1	0	273.424	3.396	10	70		CGIERO
CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1C	ZINC000159946290	372196459	/nfs/dbraw/zinc/19/64/59/372196459.db2.gz	GVGRICALRNBFAN-SMDDNHRTSA-N	1	0	279.428	3.128	10	70		CGIERO
CCC[C@H](C(=O)Nc1ccc(Cl)cc1C)[NH+](C)C	ZINC000161319510	372315712	/nfs/dbraw/zinc/31/57/12/372315712.db2.gz	BNQAKNVPRGFNCC-CYBMUJFWSA-N	1	0	268.788	3.317	10	70		CGIERO
COc1cc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)ccc1F	ZINC000218255329	376186590	/nfs/dbraw/zinc/18/65/90/376186590.db2.gz	ABEZIMRLYYJVDG-LNSITVRQSA-N	1	0	281.371	3.036	10	70		CGIERO
CCn1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)cn1	ZINC000160465454	523356739	/nfs/dbraw/zinc/35/67/39/523356739.db2.gz	YZRMHTMGDNAMEH-UHFFFAOYSA-N	1	0	287.382	3.422	10	70		CGIERO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1	ZINC000217634483	572395352	/nfs/dbraw/zinc/39/53/52/572395352.db2.gz	XZFWTHHYFQYCQO-QCODTGAPSA-N	1	0	253.430	3.340	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H]1CCSc2ccccc21)[NH+](C)C	ZINC000161037145	372296706	/nfs/dbraw/zinc/29/67/06/372296706.db2.gz	WPHPKIFRVNVVJB-ZIAGYGMSSA-N	1	0	292.448	3.070	10	70		CGIERO
O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)[N@H+](CCCF)C1	ZINC000161058171	372298734	/nfs/dbraw/zinc/29/87/34/372298734.db2.gz	FHHFAXHJNJVWBX-OLZOCXBDSA-N	1	0	291.288	3.173	10	70		CGIERO
O[C@]12CCCC[C@@H]1C[N@H+](CCCOc1ccccc1)CC2	ZINC000160792072	372275137	/nfs/dbraw/zinc/27/51/37/372275137.db2.gz	PKKBCJTXCWPDOQ-AEFFLSMTSA-N	1	0	289.419	3.083	10	70		CGIERO
CC(C)=CCN1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)C)CC1	ZINC000160831763	372279463	/nfs/dbraw/zinc/27/94/63/372279463.db2.gz	WVXVMKRZEQWMRN-SJLPKXTDSA-N	1	0	294.483	3.068	10	70		CGIERO
CCC[C@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)[NH+](C)C	ZINC000161235037	372310718	/nfs/dbraw/zinc/31/07/18/372310718.db2.gz	XFGCIWZDXFBEHX-SMDDNHRTSA-N	1	0	282.815	3.248	10	70		CGIERO
CCCn1nccc1C[NH2+][C@H](C)c1cccc(C)c1	ZINC000160183697	542153140	/nfs/dbraw/zinc/15/31/40/542153140.db2.gz	LUWJHHMTNFLNMM-CQSZACIVSA-N	1	0	257.381	3.452	10	70		CGIERO
CCC[C@@H](C(=O)N[C@H](C)c1ccc(Cl)cc1)[NH+](C)C	ZINC000161237600	321864873	/nfs/dbraw/zinc/86/48/73/321864873.db2.gz	UMYBWCFLBZFNPV-RISCZKNCSA-N	1	0	282.815	3.248	10	70		CGIERO
CCOc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160654359	520969778	/nfs/dbraw/zinc/96/97/78/520969778.db2.gz	SYQHLJBOXMAVRT-UHFFFAOYSA-N	1	0	285.391	3.188	10	70		CGIERO
Clc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160543446	526944719	/nfs/dbraw/zinc/94/47/19/526944719.db2.gz	HQBCFCWRPFUTFH-UHFFFAOYSA-N	1	0	275.783	3.443	10	70		CGIERO
Cn1nccc1C1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000160650835	527600117	/nfs/dbraw/zinc/60/01/17/527600117.db2.gz	FVLDUDNOYOCXBB-VMPITWQZSA-N	1	0	281.403	3.313	10	70		CGIERO
C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(OC(F)F)cc1	ZINC000217624077	572395469	/nfs/dbraw/zinc/39/54/69/572395469.db2.gz	AZMGSYRCBMIFKA-CYZMBNFOSA-N	1	0	285.334	3.242	10	70		CGIERO