smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(Cl)cc2Cl)C1	ZINC000004086807	204025962	/nfs/dbraw/zinc/02/59/62/204025962.db2.gz	SKODYFYKOSKIRW-LJQANCHMSA-N	1	0	394.347	4.473	50	10		GICARO
Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137333	204300289	/nfs/dbraw/zinc/30/02/89/204300289.db2.gz	WBEHQHXJGUQMLM-DEOSSOPVSA-N	1	0	391.559	4.334	50	10		GICARO
Oc1ccc(Nc2ccnc3cc(Cl)ccc32)cc1C[NH+]1CCC(O)CC1	ZINC000071767097	205294750	/nfs/dbraw/zinc/29/47/50/205294750.db2.gz	STGDFFSIFZPUNU-UHFFFAOYSA-N	1	0	383.879	4.294	50	10		GICARO
COc1ccc(N2CC[NH+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000000756593	524431070	/nfs/dbraw/zinc/43/10/70/524431070.db2.gz	HRPCHJFRBJHTJU-INIZCTEOSA-N	1	0	378.438	4.467	50	10		GICARO
O=C(NCc1ccco1)c1ccc([C@H]2CCC[N@H+]2Cc2ccccc2O)s1	ZINC000019795140	570219829	/nfs/dbraw/zinc/21/98/29/570219829.db2.gz	XBOOBTDCWWKXRD-QGZVFWFLSA-N	1	0	382.485	4.314	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349270	570343542	/nfs/dbraw/zinc/34/35/42/570343542.db2.gz	VNSLFONONWXYIM-JOCHJYFZSA-N	1	0	379.548	4.014	50	10		GICARO
Cc1cnc(C)c(-c2ccc(O)c(C[NH+]3CCN(c4ccccc4C)CC3)c2)n1	ZINC000055072848	570681604	/nfs/dbraw/zinc/68/16/04/570681604.db2.gz	SEMUHJFKDRCCMW-UHFFFAOYSA-N	1	0	388.515	4.097	50	10		GICARO
Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1C	ZINC000016838230	570912432	/nfs/dbraw/zinc/91/24/32/570912432.db2.gz	IGVUZKAROBOMDC-XMMPIXPASA-N	1	0	391.559	4.253	50	10		GICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007673	818200169	/nfs/dbraw/zinc/20/01/69/818200169.db2.gz	WACJVAOQWCWOSS-JOCHJYFZSA-N	1	0	397.950	4.289	50	10		GICARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(Cl)c(Cl)c2)C1	ZINC000004086811	204026482	/nfs/dbraw/zinc/02/64/82/204026482.db2.gz	IGPGGVKEXIGRCQ-IBGZPJMESA-N	1	0	394.347	4.473	50	10		GICARO
C[NH+](C)CCNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1	ZINC000006782001	204204311	/nfs/dbraw/zinc/20/43/11/204204311.db2.gz	ZNFHMZIMOQNAPW-UHFFFAOYSA-N	1	0	387.527	4.315	50	10	aggregator	GICARO
CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034683015	570300534	/nfs/dbraw/zinc/30/05/34/570300534.db2.gz	IBJXDARKFHEEPL-UHFFFAOYSA-N	1	0	379.548	4.469	50	10		GICARO
CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNC1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000018022963	570794809	/nfs/dbraw/zinc/79/48/09/570794809.db2.gz	AVWPQTBOJXAZEE-JXAWBTAJSA-N	1	0	386.515	4.111	50	10		GICARO
COc1cc(OC)c(C2=CC[N@H+](Cc3cc4c(cc3O)CCC4)CC2)c(OC)c1	ZINC000032869452	570864433	/nfs/dbraw/zinc/86/44/33/570864433.db2.gz	ULTSNPHURZRVGZ-UHFFFAOYSA-N	1	0	395.499	4.196	50	10		GICARO
COc1cccc(O)c1C[NH2+][C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1	ZINC000012703242	818176992	/nfs/dbraw/zinc/17/69/92/818176992.db2.gz	WKBAZECVZVTPGC-LJQANCHMSA-N	1	0	377.488	4.390	50	10		GICARO
Cc1cccc(C)c1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O	ZINC000003394625	204004349	/nfs/dbraw/zinc/00/43/49/204004349.db2.gz	RGFCWQWKWVGKDB-FQEVSTJZSA-N	1	0	381.472	4.044	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137934	204299284	/nfs/dbraw/zinc/29/92/84/204299284.db2.gz	QLINHHYOWIYLDX-QHCPKHFHSA-N	1	0	377.532	4.026	50	10		GICARO
Oc1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=NC2(CC[NH2+]CC2)N1	ZINC000065297981	205228152	/nfs/dbraw/zinc/22/81/52/205228152.db2.gz	UKTQMGHIMCSRAK-SFHVURJKSA-N	1	0	390.314	4.302	50	10		GICARO
Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)c1	ZINC000010214061	221098938	/nfs/dbraw/zinc/09/89/38/221098938.db2.gz	POGDTNJWGCRLGN-IBGZPJMESA-N	1	0	397.906	4.319	50	10		GICARO
COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1	ZINC000012074793	221148877	/nfs/dbraw/zinc/14/88/77/221148877.db2.gz	SKSCJXHJCNFGIP-CQSZACIVSA-N	1	0	389.879	4.158	50	10		GICARO
O=C(NCc1ccco1)c1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2O)s1	ZINC000019795141	570219845	/nfs/dbraw/zinc/21/98/45/570219845.db2.gz	XBOOBTDCWWKXRD-KRWDZBQOSA-N	1	0	382.485	4.314	50	10		GICARO
O=C1CCCN1c1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)cc2)cc1	ZINC000024754389	570391674	/nfs/dbraw/zinc/39/16/74/570391674.db2.gz	UUKBBAKKDSZJEK-UHFFFAOYSA-N	1	0	377.532	4.484	50	10		GICARO
CC[N@H+](Cc1cc(Br)ccc1O)Cc1cc([N+](=O)[O-])ccc1OC	ZINC000072305017	570515109	/nfs/dbraw/zinc/51/51/09/570515109.db2.gz	ZGVWDUSOCKXRPE-UHFFFAOYSA-N	1	0	395.253	4.094	50	10		GICARO
CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1	ZINC000003336856	817438769	/nfs/dbraw/zinc/43/87/69/817438769.db2.gz	JJBBFGQVUKCGPB-CQSZACIVSA-N	1	0	392.293	4.083	50	10		GICARO
O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2	ZINC000004086797	204027000	/nfs/dbraw/zinc/02/70/00/204027000.db2.gz	AWSOCCMKWJFERI-GOSISDBHSA-N	1	0	380.320	4.164	50	10		GICARO
CC[NH+](CC)CCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@@H](C)C3)cc1	ZINC000006877935	204218581	/nfs/dbraw/zinc/21/85/81/204218581.db2.gz	IEVYQXATNMIXCE-GOSISDBHSA-N	1	0	381.564	4.372	50	10		GICARO
CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)cc1	ZINC000009096548	204297812	/nfs/dbraw/zinc/29/78/12/204297812.db2.gz	ROSLKXNISSZYAY-UHFFFAOYSA-N	1	0	393.575	4.104	50	10		GICARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1O	ZINC000036347328	205012375	/nfs/dbraw/zinc/01/23/75/205012375.db2.gz	SFTYWZCLBVSTNK-NRFANRHFSA-N	1	0	393.443	4.106	50	10		GICARO
O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1	ZINC000011815166	221127943	/nfs/dbraw/zinc/12/79/43/221127943.db2.gz	ONQKFNUCNPUCEH-QGZVFWFLSA-N	1	0	398.934	4.106	50	10		GICARO
CCOc1cccc(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O	ZINC000059830630	136155840	/nfs/dbraw/zinc/15/58/40/136155840.db2.gz	SQTJIBYSLXPHIU-UHFFFAOYSA-N	1	0	380.410	4.132	50	10		GICARO
OC1CCN(c2ccc(C[NH2+]Cc3cccc(OC4CCCC4)c3)cc2F)CC1	ZINC000058055705	527516931	/nfs/dbraw/zinc/51/69/31/527516931.db2.gz	ZXRKOMNBHBLGPE-UHFFFAOYSA-N	1	0	398.522	4.398	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(C)c2)C1	ZINC000023129281	570345421	/nfs/dbraw/zinc/34/54/21/570345421.db2.gz	WCEOZVIWMDBXSM-GOSISDBHSA-N	1	0	377.488	4.479	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccccc3C)C2)c1O	ZINC000014998863	570870880	/nfs/dbraw/zinc/87/08/80/570870880.db2.gz	QOBNKXUNEVORAN-QGZVFWFLSA-N	1	0	377.488	4.479	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1	ZINC000015079988	570879482	/nfs/dbraw/zinc/87/94/82/570879482.db2.gz	DLMKCZLQNXUSMD-GOSISDBHSA-N	1	0	383.488	4.121	50	10		GICARO
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)cc1C	ZINC000016838232	570912397	/nfs/dbraw/zinc/91/23/97/570912397.db2.gz	IGVUZKAROBOMDC-DEOSSOPVSA-N	1	0	391.559	4.253	50	10		GICARO
Cc1cccc(C)c1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O	ZINC000003394621	204003910	/nfs/dbraw/zinc/00/39/10/204003910.db2.gz	RGFCWQWKWVGKDB-HXUWFJFHSA-N	1	0	381.472	4.044	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)cc1	ZINC000005097972	204111561	/nfs/dbraw/zinc/11/15/61/204111561.db2.gz	JPWVLVHRHASHAI-LJQANCHMSA-N	1	0	389.902	4.112	50	10		GICARO
CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298319	205227597	/nfs/dbraw/zinc/22/75/97/205227597.db2.gz	VCDMXLZESSHXNU-OAQYLSRUSA-N	1	0	393.531	4.045	50	10		GICARO
C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213941	221098929	/nfs/dbraw/zinc/09/89/29/221098929.db2.gz	OOAGJSCROSWCHQ-SFHVURJKSA-N	1	0	383.879	4.011	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1	ZINC000020209667	570247911	/nfs/dbraw/zinc/24/79/11/570247911.db2.gz	YDHZMCLGIIYZFT-GOSISDBHSA-N	1	0	377.488	4.479	50	10		GICARO
CCOc1ccc2nc(NCc3ccc(N4CC[NH+](C)CC4)cc3)sc2c1	ZINC000032587222	570511813	/nfs/dbraw/zinc/51/18/13/570511813.db2.gz	SPPAKOHOIYOMJO-UHFFFAOYSA-N	1	0	382.533	4.059	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCC3)ccc21	ZINC000016838228	818483781	/nfs/dbraw/zinc/48/37/81/818483781.db2.gz	LPPCPGZBZVWTFB-QFIPXVFZSA-N	1	0	397.950	4.289	50	10		GICARO
CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1	ZINC000022418415	818803917	/nfs/dbraw/zinc/80/39/17/818803917.db2.gz	YQHPFPBNDFESQF-OAQYLSRUSA-N	1	0	396.535	4.110	50	10		GICARO
C[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12	ZINC000010214098	204331028	/nfs/dbraw/zinc/33/10/28/204331028.db2.gz	IWFACBCYJJVIQM-GOSISDBHSA-N	1	0	383.879	4.011	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000009137932	204299647	/nfs/dbraw/zinc/29/96/47/204299647.db2.gz	QLINHHYOWIYLDX-HSZRJFAPSA-N	1	0	377.532	4.026	50	10		GICARO
COc1ccc(C[NH2+]Cc2cc(-c3cc(OC)ccc3OC)ccc2O)cc1	ZINC000012031264	204367348	/nfs/dbraw/zinc/36/73/48/204367348.db2.gz	KHJVBSLDFJNPAQ-UHFFFAOYSA-N	1	0	379.456	4.375	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1	ZINC000042628384	205080930	/nfs/dbraw/zinc/08/09/30/205080930.db2.gz	XFDNDASNWQONQZ-OAHLLOKOSA-N	1	0	399.441	4.449	50	10		GICARO
Oc1ccc(Br)cc1C[NH2+]C[C@H](c1cccs1)N1CCCC1	ZINC000069374302	205273898	/nfs/dbraw/zinc/27/38/98/205273898.db2.gz	GJONCGJHWMLVOV-OAHLLOKOSA-N	1	0	381.339	4.143	50	10		GICARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](CCCC4CCCC4)C3)CC2)cc1	ZINC000020135824	570242101	/nfs/dbraw/zinc/24/21/01/570242101.db2.gz	IXJCYQJFJJOVBE-QHCPKHFHSA-N	1	0	385.596	4.252	50	10		GICARO
COc1cc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC(C)C	ZINC000048710131	570253636	/nfs/dbraw/zinc/25/36/36/570253636.db2.gz	DXBFMXKSKFXUKN-SFHVURJKSA-N	1	0	384.520	4.170	50	10		GICARO
COc1cccc(C[NH+]2CCC(N(C(=O)CC(C)C)c3ccccc3)CC2)c1O	ZINC000034683484	570300996	/nfs/dbraw/zinc/30/09/96/570300996.db2.gz	NEQQSJCQSUSUPM-UHFFFAOYSA-N	1	0	396.531	4.445	50	10		GICARO
CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000034683314	570301063	/nfs/dbraw/zinc/30/10/63/570301063.db2.gz	OMWVZZISZDGXMI-UHFFFAOYSA-N	1	0	382.504	4.117	50	10		GICARO
C[C@@H]1C[C@@H](C)C[NH+](C2CCN(Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734633	570512015	/nfs/dbraw/zinc/51/20/15/570512015.db2.gz	YDICPMBHHWNYNB-HUUCEWRRSA-N	1	0	381.358	4.097	50	10		GICARO
CCOC(=O)c1c(CSc2ccccc2)n(C)c2ccc(O)c(C[NH+](C)C)c21	ZINC000000862738	570670826	/nfs/dbraw/zinc/67/08/26/570670826.db2.gz	JNMSURVBUGTPGL-UHFFFAOYSA-N	1	0	398.528	4.415	50	10		GICARO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1	ZINC000019595697	571021118	/nfs/dbraw/zinc/02/11/18/571021118.db2.gz	RNXRAHGYDSVEBT-JOCHJYFZSA-N	1	0	399.966	4.135	50	10		GICARO
Oc1ccc2cc(Br)ccc2c1C[NH+]1CCN(c2ccccn2)CC1	ZINC000003358343	204001792	/nfs/dbraw/zinc/00/17/92/204001792.db2.gz	RBOYTLWGWGCJMB-UHFFFAOYSA-N	1	0	398.304	4.025	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)c1	ZINC000012314003	204395488	/nfs/dbraw/zinc/39/54/88/204395488.db2.gz	IFHGWEIKJKEKSU-SFHVURJKSA-N	1	0	383.488	4.283	50	10		GICARO
C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000055711032	132446992	/nfs/dbraw/zinc/44/69/92/132446992.db2.gz	UIFDYRLXVVGGGE-QGZVFWFLSA-N	1	0	397.950	4.001	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349244	570343476	/nfs/dbraw/zinc/34/34/76/570343476.db2.gz	WXPYUNLFLYASGM-HSZRJFAPSA-N	1	0	393.575	4.404	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1O	ZINC000043004853	570624979	/nfs/dbraw/zinc/62/49/79/570624979.db2.gz	YMRMUTGUPDBWHH-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
CCOC(=O)C1(Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2O)CC1	ZINC000012571645	570681508	/nfs/dbraw/zinc/68/15/08/570681508.db2.gz	RSBRFRXMPZNXRT-UHFFFAOYSA-N	1	0	387.907	4.434	50	10		GICARO
COc1ccc(O)c(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3cc(C)cc(C)c3)CC2)c1	ZINC000011995821	818135309	/nfs/dbraw/zinc/13/53/09/818135309.db2.gz	PKGPSBUSMWBQRP-OAQYLSRUSA-N	1	0	394.515	4.258	50	10		GICARO
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1C	ZINC000013007769	818199951	/nfs/dbraw/zinc/19/99/51/818199951.db2.gz	QEFWROGRDXNLPI-DEOSSOPVSA-N	1	0	391.559	4.253	50	10		GICARO
C[NH+](C)CCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006737847	204197114	/nfs/dbraw/zinc/19/71/14/204197114.db2.gz	YGAFGLZTBCGDAH-UHFFFAOYSA-N	1	0	390.487	4.003	50	10		GICARO
Cc1c([O-])c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc2c3c(c(=O)oc12)CCCC3	ZINC000008739105	204287288	/nfs/dbraw/zinc/28/72/88/204287288.db2.gz	FHXFITSWCPTFAO-UHFFFAOYSA-N	1	0	398.547	4.085	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)Nc3cccs3)[NH+]3CCCC3)ccc21	ZINC000036705360	204325031	/nfs/dbraw/zinc/32/50/31/204325031.db2.gz	HSTIWLOGMNLBDJ-IBGZPJMESA-N	1	0	384.549	4.089	50	10		GICARO
CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214199	204331754	/nfs/dbraw/zinc/33/17/54/204331754.db2.gz	PRPHLCHWMGPFBC-NRFANRHFSA-N	1	0	377.488	4.136	50	10		GICARO
CCOc1ccc(C[NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1CO	ZINC000011753412	204350962	/nfs/dbraw/zinc/35/09/62/204350962.db2.gz	NLVJNBHDUOYCQG-HNNXBMFYSA-N	1	0	383.467	4.062	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)c1	ZINC000012314002	204396007	/nfs/dbraw/zinc/39/60/07/204396007.db2.gz	IFHGWEIKJKEKSU-GOSISDBHSA-N	1	0	383.488	4.283	50	10		GICARO
COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c(OC)c1	ZINC000012074794	221148724	/nfs/dbraw/zinc/14/87/24/221148724.db2.gz	SKSCJXHJCNFGIP-AWEZNQCLSA-N	1	0	389.879	4.158	50	10		GICARO
Oc1ccc2ccccc2c1C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000027505697	570435027	/nfs/dbraw/zinc/43/50/27/570435027.db2.gz	PTDLOIPUUNLIRU-UHFFFAOYSA-N	1	0	387.405	4.281	50	10		GICARO
COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O	ZINC000029886847	570481701	/nfs/dbraw/zinc/48/17/01/570481701.db2.gz	ARDYANRFYCWXIA-NRFANRHFSA-N	1	0	395.430	4.045	50	10		GICARO
Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2	ZINC000032784162	570809060	/nfs/dbraw/zinc/80/90/60/570809060.db2.gz	JWOAOXBODXTWCO-UHFFFAOYSA-N	1	0	391.437	4.007	50	10		GICARO
CN(C)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCCCC2)cc1	ZINC000000845945	206326425	/nfs/dbraw/zinc/32/64/25/206326425.db2.gz	DJGZUUGIHUCFEY-UHFFFAOYSA-N	1	0	377.536	4.200	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000016838194	207078372	/nfs/dbraw/zinc/07/83/72/207078372.db2.gz	DMIFBVOJZLHIOS-QFIPXVFZSA-N	1	0	397.950	4.289	50	10		GICARO
CCc1ccc(C[N@@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000023374965	207276600	/nfs/dbraw/zinc/27/66/00/207276600.db2.gz	IUGXVXFQTKEWPQ-XMMPIXPASA-N	1	0	393.575	4.044	50	10		GICARO
COCc1cc(C[NH2+][C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1OC	ZINC000022919911	207265829	/nfs/dbraw/zinc/26/58/29/207265829.db2.gz	PTYLEGBDFJNGER-OAQYLSRUSA-N	1	0	388.939	4.249	50	10		GICARO
O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000025474452	207304785	/nfs/dbraw/zinc/30/47/85/207304785.db2.gz	LPKQOWBXAOLQJC-UHFFFAOYSA-N	1	0	380.875	4.157	50	10		GICARO
O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000027504681	207326069	/nfs/dbraw/zinc/32/60/69/207326069.db2.gz	VRUMXTRPGUESNH-UHFFFAOYSA-N	1	0	397.862	4.429	50	10		GICARO
Cc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3O)CC2)cc1F	ZINC000034683629	570301356	/nfs/dbraw/zinc/30/13/56/570301356.db2.gz	AVYROAQFONSCBI-UHFFFAOYSA-N	1	0	384.495	4.493	50	10		GICARO
CCCN(CCC)c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C)C4)cc1	ZINC000004887882	570356339	/nfs/dbraw/zinc/35/63/39/570356339.db2.gz	LNHRJOPZBRGQKS-FQEVSTJZSA-N	1	0	398.576	4.217	50	10		GICARO
CCOC(=O)c1c(-c2ccccc2)oc2cc(C[NH+](C)C)c([O-])c(C[NH+](C)C)c21	ZINC000004322637	570367849	/nfs/dbraw/zinc/36/78/49/570367849.db2.gz	ITOIFNLYKDMKOA-UHFFFAOYSA-N	1	0	396.487	4.105	50	10		GICARO
Cc1oc2ccc(O)c(C[NH+]3CCCC3)c2c1C(=O)OCCc1ccccc1	ZINC000005182465	570496544	/nfs/dbraw/zinc/49/65/44/570496544.db2.gz	UUSHDWROKLFUHV-UHFFFAOYSA-N	1	0	379.456	4.442	50	10		GICARO
CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccccc2O)CC1	ZINC000012507418	570675170	/nfs/dbraw/zinc/67/51/70/570675170.db2.gz	FOUOFMYAOVNFBC-UHFFFAOYSA-N	1	0	383.488	4.007	50	10		GICARO
Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524731200	570765975	/nfs/dbraw/zinc/76/59/75/570765975.db2.gz	NOTPYNFNJCRKTB-AZUAARDMSA-N	1	0	398.547	4.120	50	10		GICARO
O[C@]1(c2ccc(Cl)cc2Cl)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000003226878	570839548	/nfs/dbraw/zinc/83/95/48/570839548.db2.gz	MQLYLSGXDJMIQB-SFHVURJKSA-N	1	0	380.320	4.164	50	10		GICARO
COc1ccccc1C(=O)N1c2cc(C[NH+](C)C)c(O)cc2[C@@H](C)CC1(C)C	ZINC000070666542	206281974	/nfs/dbraw/zinc/28/19/74/206281974.db2.gz	MSDOWGCJYXQEGG-HNNXBMFYSA-N	1	0	382.504	4.395	50	10		GICARO
COc1ccc(C2=NC3(CC[NH+](C(C)C)CC3)N[C@@H](c3ccccc3O)C2)cc1	ZINC000006949931	206696846	/nfs/dbraw/zinc/69/68/46/206696846.db2.gz	SSLPVYTVCVFETK-JOCHJYFZSA-N	1	0	393.531	4.125	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2cc(F)ccc2F)C1	ZINC000019883997	207168850	/nfs/dbraw/zinc/16/88/50/207168850.db2.gz	USFDIEFKOZMNLZ-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O	ZINC000020913929	207219952	/nfs/dbraw/zinc/21/99/52/207219952.db2.gz	SAXLFVBYSWLVEW-MRXNPFEDSA-N	1	0	381.451	4.310	50	10		GICARO
Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](Cc2ccccc2O)C1	ZINC000020917149	207220088	/nfs/dbraw/zinc/22/00/88/207220088.db2.gz	CAVSDUXJWACSPD-IBGZPJMESA-N	1	0	394.544	4.193	50	10		GICARO
Cc1cc2c(n1-c1ccc(C(=O)NCC[NH+]3CCCCCC3)cc1)CCCC2	ZINC000009153304	221072422	/nfs/dbraw/zinc/07/24/22/221072422.db2.gz	HVTDGQISRKIZQZ-UHFFFAOYSA-N	1	0	379.548	4.270	50	10		GICARO
Cc1cc(O)c(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C	ZINC000016350463	221360902	/nfs/dbraw/zinc/36/09/02/221360902.db2.gz	YBNKAJCFPWUAIS-UHFFFAOYSA-N	1	0	399.844	4.398	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349267	570343309	/nfs/dbraw/zinc/34/33/09/570343309.db2.gz	LQLIPMBUNJXTPY-RUZDIDTESA-N	1	0	399.538	4.282	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1	ZINC000005098124	570417375	/nfs/dbraw/zinc/41/73/75/570417375.db2.gz	RCTDCXUVCRAPQL-HPIWNNMISA-N	1	0	395.591	4.222	50	10		GICARO
C[C@H]1CCCC[N@@H+]1CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O	ZINC000253429246	570483210	/nfs/dbraw/zinc/48/32/10/570483210.db2.gz	SPIZHCQKQXSADI-MAUKXSAKSA-N	1	0	383.517	4.006	50	10		GICARO
CCCOCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c2ncccc12	ZINC000006804064	570606207	/nfs/dbraw/zinc/60/62/07/570606207.db2.gz	QTNAAKNLUFHMQR-UHFFFAOYSA-N	1	0	391.515	4.189	50	10		GICARO
CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)c1O	ZINC000012573243	570681890	/nfs/dbraw/zinc/68/18/90/570681890.db2.gz	SCXFMSMUQOAPRB-OAHLLOKOSA-N	1	0	387.451	4.034	50	10		GICARO
COc1cc2c(cc1OC)C[N@H+](Cc1cc(-c3cccnc3)ccc1O)CC2	ZINC000015069855	570877020	/nfs/dbraw/zinc/87/70/20/570877020.db2.gz	QTYKUEWUKVPFAB-UHFFFAOYSA-N	1	0	376.456	4.030	50	10		GICARO
CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)[NH+]3CCCCC3)ccc21	ZINC000013007762	818200126	/nfs/dbraw/zinc/20/01/26/818200126.db2.gz	QTVMSGQIXVNSPY-JOCHJYFZSA-N	1	0	397.950	4.289	50	10		GICARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@H+](C)C[C@@H](O)c3ccccc3)c2)c1	ZINC000020452460	818622006	/nfs/dbraw/zinc/62/20/06/818622006.db2.gz	YBUHBNCQKWAIJO-HSZRJFAPSA-N	1	0	393.483	4.242	50	10		GICARO
Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137950	206306025	/nfs/dbraw/zinc/30/60/25/206306025.db2.gz	GQPQTZPGNVOOTB-XMMPIXPASA-N	1	0	391.559	4.334	50	10		GICARO
CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213911	206374173	/nfs/dbraw/zinc/37/41/73/206374173.db2.gz	JMLYQOXJKVPBOF-FQEVSTJZSA-N	1	0	377.488	4.138	50	10		GICARO
CN(C)[C@H](Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1	ZINC000604405227	570361689	/nfs/dbraw/zinc/36/16/89/570361689.db2.gz	NYEFLFLFSZNBRR-LJQANCHMSA-N	1	0	384.435	4.109	50	10		GICARO
CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005097928	570417126	/nfs/dbraw/zinc/41/71/26/570417126.db2.gz	MJNXTWQJIPBVPX-HSZRJFAPSA-N	1	0	395.547	4.107	50	10		GICARO
C[C@H]1C[C@H](C)C[NH+](C2CCN(Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734634	570512099	/nfs/dbraw/zinc/51/20/99/570512099.db2.gz	YDICPMBHHWNYNB-GJZGRUSLSA-N	1	0	381.358	4.097	50	10		GICARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1O	ZINC000036347783	570630320	/nfs/dbraw/zinc/63/03/20/570630320.db2.gz	MWJVSUDEUKQGSN-NRFANRHFSA-N	1	0	393.443	4.106	50	10		GICARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)c1O	ZINC000036347784	570630480	/nfs/dbraw/zinc/63/04/80/570630480.db2.gz	MWJVSUDEUKQGSN-OAQYLSRUSA-N	1	0	393.443	4.106	50	10		GICARO
CC[NH+](CC)CCCNC(=O)c1ccc(-n2c(C)cc3c2CC[C@H](C)C3)cc1	ZINC000006877934	570669287	/nfs/dbraw/zinc/66/92/87/570669287.db2.gz	IEVYQXATNMIXCE-SFHVURJKSA-N	1	0	381.564	4.372	50	10		GICARO
CCOc1ccc(C2=NC3(CC[NH+](CC)CC3)N[C@H](c3ccccc3O)C2)cc1	ZINC000065297896	570787531	/nfs/dbraw/zinc/78/75/31/570787531.db2.gz	DVCKEFBMHFDKBQ-QFIPXVFZSA-N	1	0	393.531	4.127	50	10		GICARO
CCOc1ccc2[nH+]c3cc(N4C(=O)c5ccccc5C4=O)ccc3c(N)c2c1	ZINC000005953744	817631615	/nfs/dbraw/zinc/63/16/15/817631615.db2.gz	VZTDKBJSFMUWHG-UHFFFAOYSA-N	1	0	383.407	4.170	50	10		GICARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCCC3)ccc21	ZINC000013007764	818200002	/nfs/dbraw/zinc/20/00/02/818200002.db2.gz	QLIDKIKRCDRKSB-JOCHJYFZSA-N	1	0	397.950	4.289	50	10		GICARO
CCn1cc(Br)c(C(=O)Nc2ccccc2[N+](=O)NC(C)(C)C)n1	ZINC000225429006	206258303	/nfs/dbraw/zinc/25/83/03/206258303.db2.gz	YJYTXGJSWSTELW-UHFFFAOYSA-O	1	0	395.281	4.202	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)Cc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000009137559	206307384	/nfs/dbraw/zinc/30/73/84/206307384.db2.gz	XDKFDAGBBZDWGD-JOCHJYFZSA-N	1	0	397.588	4.016	50	10		GICARO
COc1ccc(CN2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1F	ZINC000022801290	207261650	/nfs/dbraw/zinc/26/16/50/207261650.db2.gz	UYLUOHPWEJNTRV-UHFFFAOYSA-N	1	0	380.463	4.011	50	10		GICARO
Cc1oc2ccc(O)c(C[NH+]3CCCCC3)c2c1C(=O)NCc1ccccc1	ZINC000005182512	570496400	/nfs/dbraw/zinc/49/64/00/570496400.db2.gz	JIVPNTQRPMTLEM-UHFFFAOYSA-N	1	0	378.472	4.363	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1	ZINC000042881850	570623628	/nfs/dbraw/zinc/62/36/28/570623628.db2.gz	SWZLORILIDLIER-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
CCN(CC)c1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1	ZINC000004412077	570746541	/nfs/dbraw/zinc/74/65/41/570746541.db2.gz	OGMYTATZTARSSA-UHFFFAOYSA-N	1	0	393.575	4.370	50	10		GICARO
CCc1cc(=O)oc2c(C)c([O-])c(C[N@H+](C)C[C@@H]3CCC[NH+]4CCCC[C@H]34)cc12	ZINC000524730568	570765094	/nfs/dbraw/zinc/76/50/94/570765094.db2.gz	NMRPWGZCNJVZND-GHTZIAJQSA-N	1	0	398.547	4.066	50	10		GICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@@H](c1cccc(OC)c1O)N2	ZINC000065298151	570787475	/nfs/dbraw/zinc/78/74/75/570787475.db2.gz	MLMIAVKTBKTCHU-NRFANRHFSA-N	1	0	393.531	4.045	50	10		GICARO
Oc1cc2[nH]c3ccccc3c2cc1C[NH+]1CCN(c2ccccc2F)CC1	ZINC000012555801	570858405	/nfs/dbraw/zinc/85/84/05/570858405.db2.gz	BIHAGALSUCQBHM-UHFFFAOYSA-N	1	0	375.447	4.488	50	10		GICARO
COc1cc(SC)ccc1C(=O)Nc1ccc(O)c(C[NH+]2CCCCC2)c1	ZINC000004844687	570932674	/nfs/dbraw/zinc/93/26/74/570932674.db2.gz	FICJIONGHCINRS-UHFFFAOYSA-N	1	0	386.517	4.361	50	10		GICARO
Cc1cc(O)c(C[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C	ZINC000016875791	570934356	/nfs/dbraw/zinc/93/43/56/570934356.db2.gz	VATQUZOBHQWHSI-UHFFFAOYSA-N	1	0	379.426	4.135	50	10		GICARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@H+](C)C[C@H](O)c3ccccc3)c2)c1	ZINC000020452462	818622232	/nfs/dbraw/zinc/62/22/32/818622232.db2.gz	YBUHBNCQKWAIJO-QHCPKHFHSA-N	1	0	393.483	4.242	50	10		GICARO
CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1	ZINC000022418417	818803769	/nfs/dbraw/zinc/80/37/69/818803769.db2.gz	YQHPFPBNDFESQF-NRFANRHFSA-N	1	0	396.535	4.110	50	10		GICARO
Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1	ZINC000009137949	206306767	/nfs/dbraw/zinc/30/67/67/206306767.db2.gz	GQPQTZPGNVOOTB-DEOSSOPVSA-N	1	0	391.559	4.334	50	10		GICARO
CCOC(=O)c1c(CSc2ccccn2)oc2ccc(O)c(C[NH+](C)C)c21	ZINC000001083556	206351267	/nfs/dbraw/zinc/35/12/67/206351267.db2.gz	BWZNBLSTJQOOFX-UHFFFAOYSA-N	1	0	386.473	4.064	50	10		GICARO
Cc1ccc(NC(=O)C2CC[NH+](Cc3c(C)ccc(C(C)C)c3O)CC2)nc1	ZINC000095464156	208187908	/nfs/dbraw/zinc/18/79/08/208187908.db2.gz	AXPXJJLILKAYDH-UHFFFAOYSA-N	1	0	381.520	4.378	50	10		GICARO
CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349260	570343558	/nfs/dbraw/zinc/34/35/58/570343558.db2.gz	XWHXIOWYEUXYLC-HSZRJFAPSA-N	1	0	379.548	4.014	50	10		GICARO
CCN1C(=O)/C(=C2/SC(c3ccccc3)=C3[NH+]=CC(C)=CN32)SC1=S	ZINC000032659158	570513084	/nfs/dbraw/zinc/51/30/84/570513084.db2.gz	WVTAMPVMLAGEIP-VKAVYKQESA-N	1	0	385.539	4.399	50	10		GICARO
CCC[NH+]1CCN(c2cc(NCC)c3c4c2noc4-c2ccccc2C3=O)CC1	ZINC000006737977	570562377	/nfs/dbraw/zinc/56/23/77/570562377.db2.gz	NWYUYPXJRROODA-UHFFFAOYSA-N	1	0	390.487	4.003	50	10		GICARO
CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(O)c(C[NH+]3CCCC3)c21	ZINC000038558401	570580950	/nfs/dbraw/zinc/58/09/50/570580950.db2.gz	DKFSCNFFHRKTIW-UHFFFAOYSA-N	1	0	392.499	4.476	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2F)C1	ZINC000042881846	570623483	/nfs/dbraw/zinc/62/34/83/570623483.db2.gz	SWZLORILIDLIER-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
COc1cccc(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O	ZINC000065433039	570768368	/nfs/dbraw/zinc/76/83/68/570768368.db2.gz	FDAFHBXPNXXSBJ-SFHVURJKSA-N	1	0	376.456	4.158	50	10		GICARO
Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)c(Cl)c3)C2)cc1	ZINC000004086738	817502135	/nfs/dbraw/zinc/50/21/35/817502135.db2.gz	BRRDPSLITZSJOY-IBGZPJMESA-N	1	0	394.347	4.473	50	10		GICARO
COc1ccccc1N1CC[NH+](Cc2cc3c(cc2O)[nH]c2ccccc23)CC1	ZINC000057331675	823279448	/nfs/dbraw/zinc/27/94/48/823279448.db2.gz	NPSFYLDDEJUDAI-UHFFFAOYSA-N	1	0	387.483	4.358	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)c1	ZINC000020211929	818616854	/nfs/dbraw/zinc/61/68/54/818616854.db2.gz	XFGSFLREBYKFNA-GOSISDBHSA-N	1	0	377.488	4.479	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214026	206374350	/nfs/dbraw/zinc/37/43/50/206374350.db2.gz	JLBMECBMMLBPNN-FQEVSTJZSA-N	1	0	377.488	4.056	50	10		GICARO
Nc1ccc(C[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1	ZINC000022465239	207255828	/nfs/dbraw/zinc/25/58/28/207255828.db2.gz	MCHJHYOGYPFAMJ-UHFFFAOYSA-N	1	0	393.481	4.454	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1	ZINC000043041395	570624775	/nfs/dbraw/zinc/62/47/75/570624775.db2.gz	FUXJULMTFQBPME-OAHLLOKOSA-N	1	0	399.441	4.449	50	10		GICARO
CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)c1O	ZINC000012573250	570681806	/nfs/dbraw/zinc/68/18/06/570681806.db2.gz	SCXFMSMUQOAPRB-HNNXBMFYSA-N	1	0	387.451	4.034	50	10		GICARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)[NH+]3CCCCC3)ccc21	ZINC000013007675	818200143	/nfs/dbraw/zinc/20/01/43/818200143.db2.gz	WACJVAOQWCWOSS-QFIPXVFZSA-N	1	0	397.950	4.289	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)Cc3cccs3)[NH+]3CCCCC3)ccc21	ZINC000009137564	206306062	/nfs/dbraw/zinc/30/60/62/206306062.db2.gz	XDKFDAGBBZDWGD-QFIPXVFZSA-N	1	0	397.588	4.016	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)[NH+]2CCCC2)cc1	ZINC000005098125	570417495	/nfs/dbraw/zinc/41/74/95/570417495.db2.gz	RCTDCXUVCRAPQL-SBTPEUDISA-N	1	0	395.591	4.222	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c1O	ZINC000043056967	570625178	/nfs/dbraw/zinc/62/51/78/570625178.db2.gz	NNJCUOMIWJJKPI-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
COc1cccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1O	ZINC000036347329	570628756	/nfs/dbraw/zinc/62/87/56/570628756.db2.gz	SFTYWZCLBVSTNK-OAQYLSRUSA-N	1	0	393.443	4.106	50	10		GICARO
COc1cccc(-c2cc3n(n2)CCC[N@H+](Cc2ccc(N(C)C)cc2)C3)c1	ZINC000065270407	570773254	/nfs/dbraw/zinc/77/32/54/570773254.db2.gz	WETLKMFFIRGBPX-UHFFFAOYSA-N	1	0	376.504	4.031	50	10		GICARO
CCOc1ccc(C2=NC3(CC[NH+](CC)CC3)N[C@@H](c3ccccc3O)C2)cc1	ZINC000065297898	570787499	/nfs/dbraw/zinc/78/74/99/570787499.db2.gz	DVCKEFBMHFDKBQ-JOCHJYFZSA-N	1	0	393.531	4.127	50	10		GICARO
CCOc1cccc([C@@H]2CC(c3ccccc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298336	570787551	/nfs/dbraw/zinc/78/75/51/570787551.db2.gz	ICJTZSWZNGSMDO-NRFANRHFSA-N	1	0	393.531	4.127	50	10		GICARO
Cc1ccc(C2=NC3(CC[NH+](C(C)C)CC3)N[C@@H](c3ccccc3O)C2)cc1	ZINC000004730078	570884437	/nfs/dbraw/zinc/88/44/37/570884437.db2.gz	DEDJMEOMSPJASE-JOCHJYFZSA-N	1	0	377.532	4.425	50	10		GICARO
CCOc1cccc(C[NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1O	ZINC000011812908	818123391	/nfs/dbraw/zinc/12/33/91/818123391.db2.gz	DKULIZWEJCCNDR-IBGZPJMESA-N	1	0	399.441	4.422	50	10		GICARO
CCOc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)c1O	ZINC000011812906	818123434	/nfs/dbraw/zinc/12/34/34/818123434.db2.gz	DKULIZWEJCCNDR-LJQANCHMSA-N	1	0	399.441	4.422	50	10		GICARO
C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N2CC[NH+](C)CC2)cc1	ZINC000055711031	823001610	/nfs/dbraw/zinc/00/16/10/823001610.db2.gz	UIFDYRLXVVGGGE-KRWDZBQOSA-N	1	0	397.950	4.001	50	10		GICARO
CCNC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCCN3C)s1	ZINC000019114039	207102804	/nfs/dbraw/zinc/10/28/04/207102804.db2.gz	IANPLLSPYAUDSI-LJQANCHMSA-N	1	0	383.561	4.217	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1O	ZINC000020449647	207192875	/nfs/dbraw/zinc/19/28/75/207192875.db2.gz	QLQHCJIHPCGHGG-SFHVURJKSA-N	1	0	377.488	4.479	50	10		GICARO
CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cc(Cl)ccc1O)N2	ZINC000065297955	207860788	/nfs/dbraw/zinc/86/07/88/207860788.db2.gz	PZFPILAIRIPIGV-FQEVSTJZSA-N	1	0	383.923	4.381	50	10		GICARO
COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1C	ZINC000079188873	208072032	/nfs/dbraw/zinc/07/20/32/208072032.db2.gz	WWWPMXSHPMVFQG-PZJWPPBQSA-N	1	0	395.547	4.097	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1	ZINC000011840362	570586785	/nfs/dbraw/zinc/58/67/85/570586785.db2.gz	GSEQFPXRCONGOB-QGZVFWFLSA-N	1	0	383.488	4.121	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c(O)c1	ZINC000043041391	570625089	/nfs/dbraw/zinc/62/50/89/570625089.db2.gz	FUXJULMTFQBPME-HNNXBMFYSA-N	1	0	399.441	4.449	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1	ZINC000043004826	570625116	/nfs/dbraw/zinc/62/51/16/570625116.db2.gz	HYJFBNLNROBPFH-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cc(F)ccc3F)C2)c1O	ZINC000043056965	570625146	/nfs/dbraw/zinc/62/51/46/570625146.db2.gz	NNJCUOMIWJJKPI-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2c(F)cccc2F)C1	ZINC000043083314	570625789	/nfs/dbraw/zinc/62/57/89/570625789.db2.gz	UGFWIPQZBNMRIO-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
O=C(NCc1ccc(N2CCCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000044910645	570642154	/nfs/dbraw/zinc/64/21/54/570642154.db2.gz	GBANFLFVLDTLEC-UHFFFAOYSA-N	1	0	391.559	4.205	50	10		GICARO
COc1ccc(C(=O)C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1	ZINC000012943963	570731572	/nfs/dbraw/zinc/73/15/72/570731572.db2.gz	NRAIRDGKXUXDRF-UHFFFAOYSA-N	1	0	376.456	4.044	50	10		GICARO
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1c(O)cccc1OC)[NH2+]C2	ZINC000004191594	817509149	/nfs/dbraw/zinc/50/91/49/817509149.db2.gz	YUDFNRUFPQHGDK-QHCPKHFHSA-N	1	0	394.471	4.182	50	10		GICARO
CCOc1cccc(C[NH+]2CCC(C(=O)N(CC)Cc3ccccc3)CC2)c1O	ZINC000004725505	817533977	/nfs/dbraw/zinc/53/39/77/817533977.db2.gz	JGOJMSBNEOELEG-UHFFFAOYSA-N	1	0	396.531	4.052	50	10		GICARO
C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010213945	209321318	/nfs/dbraw/zinc/32/13/18/209321318.db2.gz	OOAGJSCROSWCHQ-GOSISDBHSA-N	1	0	383.879	4.011	50	10		GICARO
Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CC[NH+](C)CC2)c1	ZINC000010214065	209321477	/nfs/dbraw/zinc/32/14/77/209321477.db2.gz	POGDTNJWGCRLGN-LJQANCHMSA-N	1	0	397.906	4.319	50	10		GICARO
COc1ccc(N2CC[NH+](Cc3cc(=O)oc4c(C)c(C)cc(C)c34)CC2)cc1	ZINC000054105900	209214226	/nfs/dbraw/zinc/21/42/26/209214226.db2.gz	FVENCWCMNMOJNT-UHFFFAOYSA-N	1	0	392.499	4.049	50	10		GICARO
COc1cccc([C@H]2CC(c3ccccc3)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000080324916	211158182	/nfs/dbraw/zinc/15/81/82/211158182.db2.gz	QBZWVDRUILKIBV-OAQYLSRUSA-N	1	0	393.531	4.125	50	10		GICARO
COc1ccc2[nH]cc(/C=C3\C(=O)N(CCC[NH+](C)C)c4ccc(F)cc43)c2c1	ZINC000071773619	211063094	/nfs/dbraw/zinc/06/30/94/211063094.db2.gz	CQNOITUXWKRVMB-JAIQZWGSSA-N	1	0	393.462	4.155	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cccc(C)c2)C1	ZINC000023129282	570345476	/nfs/dbraw/zinc/34/54/76/570345476.db2.gz	WCEOZVIWMDBXSM-SFHVURJKSA-N	1	0	377.488	4.479	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1	ZINC000042926002	570624185	/nfs/dbraw/zinc/62/41/85/570624185.db2.gz	ZMUOYSBHZSYICV-HNNXBMFYSA-N	1	0	399.441	4.449	50	10		GICARO
CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298318	570787413	/nfs/dbraw/zinc/78/74/13/570787413.db2.gz	VCDMXLZESSHXNU-NRFANRHFSA-N	1	0	393.531	4.045	50	10		GICARO
COc1cccc(CNc2[nH+]cc(-c3ccc(Br)cc3)n2C)c1O	ZINC000004678348	570824315	/nfs/dbraw/zinc/82/43/15/570824315.db2.gz	AYEZJUSSKPKTTD-UHFFFAOYSA-N	1	0	388.265	4.176	50	10		GICARO
Cc1ccc(C)n1-c1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000003455710	817459339	/nfs/dbraw/zinc/45/93/39/817459339.db2.gz	QFOHGRXAODPOFZ-UHFFFAOYSA-N	1	0	387.527	4.489	50	10		GICARO
Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)c(Cl)c3)C2)cc1	ZINC000004086737	817502268	/nfs/dbraw/zinc/50/22/68/817502268.db2.gz	BRRDPSLITZSJOY-LJQANCHMSA-N	1	0	394.347	4.473	50	10		GICARO
COc1ccc(O)c(C[NH+]2CCC3(C[C@H]3C(=O)Nc3cc(C)cc(C)c3)CC2)c1	ZINC000011995822	818135434	/nfs/dbraw/zinc/13/54/34/818135434.db2.gz	PKGPSBUSMWBQRP-NRFANRHFSA-N	1	0	394.515	4.258	50	10		GICARO
CCc1ccc(C[NH+]2CCN(Cc3cc(Br)ccc3O)CC2)cc1	ZINC000019361425	210244226	/nfs/dbraw/zinc/24/42/26/210244226.db2.gz	QCCRBCNJDNFMEM-UHFFFAOYSA-N	1	0	389.337	4.035	50	10		GICARO
CC(C)C(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034682483	570300244	/nfs/dbraw/zinc/30/02/44/570300244.db2.gz	RCUHFHSENRYROI-UHFFFAOYSA-N	1	0	379.548	4.406	50	10		GICARO
CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349259	570343316	/nfs/dbraw/zinc/34/33/16/570343316.db2.gz	XWHXIOWYEUXYLC-QHCPKHFHSA-N	1	0	379.548	4.014	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349243	570343428	/nfs/dbraw/zinc/34/34/28/570343428.db2.gz	WXPYUNLFLYASGM-QHCPKHFHSA-N	1	0	393.575	4.404	50	10		GICARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@H+](C)CCc3ccccn3)c2)c1	ZINC000012080109	570605864	/nfs/dbraw/zinc/60/58/64/570605864.db2.gz	UOYADBLQNJFRSR-UHFFFAOYSA-N	1	0	378.472	4.146	50	10		GICARO
Cc1ccc(C2=NC3(CC[NH+](C(C)C)CC3)N[C@H](c3ccccc3O)C2)cc1	ZINC000004730077	570884812	/nfs/dbraw/zinc/88/48/12/570884812.db2.gz	DEDJMEOMSPJASE-QFIPXVFZSA-N	1	0	377.532	4.425	50	10		GICARO
COc1cccc(O)c1C[NH2+][C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1	ZINC000012703247	818176873	/nfs/dbraw/zinc/17/68/73/818176873.db2.gz	WKBAZECVZVTPGC-IBGZPJMESA-N	1	0	377.488	4.390	50	10		GICARO
Cc1cc(O)c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)cc1C(C)C	ZINC000012810708	210013190	/nfs/dbraw/zinc/01/31/90/210013190.db2.gz	HZUSRFWWYCFMMN-UHFFFAOYSA-N	1	0	380.532	4.352	50	10		GICARO
Cc1ccccc1N1C[C@](O)(c2ccc(C(C)(C)C)cc2)[N+]2=C1SCCC2	ZINC000003226874	209416217	/nfs/dbraw/zinc/41/62/17/209416217.db2.gz	IDPQXBQNOWPVKQ-QHCPKHFHSA-N	1	0	381.565	4.463	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3O)=NN12	ZINC000010214032	209321602	/nfs/dbraw/zinc/32/16/02/209321602.db2.gz	JLBMECBMMLBPNN-HXUWFJFHSA-N	1	0	377.488	4.056	50	10		GICARO
Cc1cc(C)cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1	ZINC000013008233	136200685	/nfs/dbraw/zinc/20/06/85/136200685.db2.gz	BAVLVLLIEQUDBK-XMMPIXPASA-N	1	0	391.559	4.253	50	10		GICARO
CCC(=O)N(c1ccc(OC)cc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034682796	570300663	/nfs/dbraw/zinc/30/06/63/570300663.db2.gz	BRTXVJODIBVBIF-UHFFFAOYSA-N	1	0	395.547	4.169	50	10		GICARO
Oc1cc2[nH]c3ccccc3c2cc1C[NH+]1CCN(Cc2cccs2)CC1	ZINC000022788007	570327843	/nfs/dbraw/zinc/32/78/43/570327843.db2.gz	GNHRNTISRPUZQY-UHFFFAOYSA-N	1	0	377.513	4.406	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349268	570343365	/nfs/dbraw/zinc/34/33/65/570343365.db2.gz	LQLIPMBUNJXTPY-VWLOTQADSA-N	1	0	399.538	4.282	50	10		GICARO
CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000004725520	570398129	/nfs/dbraw/zinc/39/81/29/570398129.db2.gz	KAOSJEBMVPTIBT-UHFFFAOYSA-N	1	0	380.532	4.433	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)[NH+](C)C)cc1	ZINC000005097737	570416975	/nfs/dbraw/zinc/41/69/75/570416975.db2.gz	IATCGPKSXKVSSK-SFHVURJKSA-N	1	0	380.319	4.092	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c(O)c1	ZINC000012241991	570630565	/nfs/dbraw/zinc/63/05/65/570630565.db2.gz	QYAYUPURTLUQLA-IBGZPJMESA-N	1	0	377.488	4.479	50	10		GICARO
Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)cc3Cl)C2)cc1	ZINC000004086736	817502119	/nfs/dbraw/zinc/50/21/19/817502119.db2.gz	XREWPQOUPJHFCM-IBGZPJMESA-N	1	0	394.347	4.473	50	10		GICARO
O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2	ZINC000004086798	817502170	/nfs/dbraw/zinc/50/21/70/817502170.db2.gz	AWSOCCMKWJFERI-SFHVURJKSA-N	1	0	380.320	4.164	50	10		GICARO
Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)cc3Cl)C2)cc1	ZINC000004086735	817502254	/nfs/dbraw/zinc/50/22/54/817502254.db2.gz	XREWPQOUPJHFCM-LJQANCHMSA-N	1	0	394.347	4.473	50	10		GICARO
Cc1cc(C(=O)Nc2c[nH+]ccc2N2CCCC2)c(C)n1-c1ccc(F)cc1	ZINC000040151053	821150248	/nfs/dbraw/zinc/15/02/48/821150248.db2.gz	GVCWPCMSJJXKSR-UHFFFAOYSA-N	1	0	378.451	4.481	50	10		GICARO
CCOc1ccccc1N1CC[NH+](Cc2cc(OC)cc(C(C)(C)C)c2O)CC1	ZINC000089272009	136175469	/nfs/dbraw/zinc/17/54/69/136175469.db2.gz	WQYBEBMSZUMRHD-UHFFFAOYSA-N	1	0	398.547	4.419	50	10		GICARO
CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005097926	570417156	/nfs/dbraw/zinc/41/71/56/570417156.db2.gz	MJNXTWQJIPBVPX-QHCPKHFHSA-N	1	0	395.547	4.107	50	10		GICARO
CN(C)c1cc(NCC[NH+]2CCCCC2)c2c3c1noc3-c1ccccc1C2=O	ZINC000006737855	570562267	/nfs/dbraw/zinc/56/22/67/570562267.db2.gz	HIVIGCHVRJBIRU-UHFFFAOYSA-N	1	0	390.487	4.003	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)c(F)c2)C1	ZINC000042926005	570624111	/nfs/dbraw/zinc/62/41/11/570624111.db2.gz	ZMUOYSBHZSYICV-OAHLLOKOSA-N	1	0	399.441	4.449	50	10		GICARO
CCCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524729936	570764299	/nfs/dbraw/zinc/76/42/99/570764299.db2.gz	OXMJGBKDZTURMI-GHTZIAJQSA-N	1	0	398.547	4.147	50	10		GICARO
COc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C	ZINC000170613546	570871879	/nfs/dbraw/zinc/87/18/79/570871879.db2.gz	WWWPMXSHPMVFQG-CTNGQTDRSA-N	1	0	395.547	4.097	50	10		GICARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(Cl)cc2Cl)C1	ZINC000004086809	817502263	/nfs/dbraw/zinc/50/22/63/817502263.db2.gz	SKODYFYKOSKIRW-IBGZPJMESA-N	1	0	394.347	4.473	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000009137571	209248780	/nfs/dbraw/zinc/24/87/80/209248780.db2.gz	JVOBDTWQPMITIR-HSZRJFAPSA-N	1	0	395.522	4.165	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000009137594	209248716	/nfs/dbraw/zinc/24/87/16/209248716.db2.gz	RVDHAPZEOFFPAG-QHCPKHFHSA-N	1	0	395.522	4.165	50	10		GICARO
Oc1ccc(Br)cc1C[NH2+]C[C@@H](c1cccs1)N1CCCC1	ZINC000069374308	211035707	/nfs/dbraw/zinc/03/57/07/211035707.db2.gz	GJONCGJHWMLVOV-HNNXBMFYSA-N	1	0	381.339	4.143	50	10		GICARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](CCCC4CCCC4)C3)CC2)cc1	ZINC000020135820	210318345	/nfs/dbraw/zinc/31/83/45/210318345.db2.gz	IXJCYQJFJJOVBE-HSZRJFAPSA-N	1	0	385.596	4.252	50	10		GICARO
COc1ccc(N2CC[NH+](Cc3cc4c(cc3O)[nH]c3ccccc34)CC2)cc1	ZINC000057270669	132450036	/nfs/dbraw/zinc/45/00/36/132450036.db2.gz	IANMDTXGBAKZSG-UHFFFAOYSA-N	1	0	387.483	4.358	50	10		GICARO
COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)ccc1OC(C)C	ZINC000048710130	570253617	/nfs/dbraw/zinc/25/36/17/570253617.db2.gz	DXBFMXKSKFXUKN-GOSISDBHSA-N	1	0	384.520	4.170	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349269	570343440	/nfs/dbraw/zinc/34/34/40/570343440.db2.gz	VNSLFONONWXYIM-QFIPXVFZSA-N	1	0	379.548	4.014	50	10		GICARO
CC(C)(C)c1cc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1	ZINC000023281897	570353895	/nfs/dbraw/zinc/35/38/95/570353895.db2.gz	XZXTVCDPQAJTTG-UHFFFAOYSA-N	1	0	382.552	4.099	50	10		GICARO
Oc1cc2c(cc1[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)OCO2	ZINC000005763598	570455898	/nfs/dbraw/zinc/45/58/98/570455898.db2.gz	CNHAVYWPOCSGHE-GOSISDBHSA-N	1	0	376.250	4.069	50	10		GICARO
C[NH+](C)CCCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000006738036	570562512	/nfs/dbraw/zinc/56/25/12/570562512.db2.gz	LTLABRNURCPNHD-UHFFFAOYSA-N	1	0	390.487	4.003	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1O	ZINC000042915216	570623808	/nfs/dbraw/zinc/62/38/08/570623808.db2.gz	SAXLFVBYSWLVEW-INIZCTEOSA-N	1	0	381.451	4.310	50	10		GICARO
CC[N@H+](CC(=O)NC(C)(C)C)Cc1c(O)ccc2cc(Br)ccc21	ZINC000006859784	570652076	/nfs/dbraw/zinc/65/20/76/570652076.db2.gz	PIYNXVGSQUEJNF-UHFFFAOYSA-N	1	0	393.325	4.045	50	10		GICARO
OCC1(CCOc2ccccc2)CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012507370	570675375	/nfs/dbraw/zinc/67/53/75/570675375.db2.gz	GZMWPCXDZJNORB-UHFFFAOYSA-N	1	0	375.896	4.089	50	10		GICARO
COc1ccc(-c2cc(=O)c3c(ccc(O)c3C[NH+]3CCC(C)CC3)o2)cc1	ZINC000004387303	570731764	/nfs/dbraw/zinc/73/17/64/570731764.db2.gz	NAMFGMZFIKVATE-UHFFFAOYSA-N	1	0	379.456	4.406	50	10		GICARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000004086818	817502179	/nfs/dbraw/zinc/50/21/79/817502179.db2.gz	BPIWLLZGRXAXQS-LJQANCHMSA-N	1	0	394.347	4.473	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(C)cc3)C2)c1	ZINC000020211931	818617810	/nfs/dbraw/zinc/61/78/10/818617810.db2.gz	XFGSFLREBYKFNA-SFHVURJKSA-N	1	0	377.488	4.479	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3ccccc3C)C2)c1O	ZINC000014998866	210143263	/nfs/dbraw/zinc/14/32/63/210143263.db2.gz	QOBNKXUNEVORAN-KRWDZBQOSA-N	1	0	377.488	4.479	50	10		GICARO
CCOC(=O)C1(CCc2ccccc2)CC[NH+](Cc2c(O)cccc2OC)CC1	ZINC000013545224	210067132	/nfs/dbraw/zinc/06/71/32/210067132.db2.gz	ILZJYRDFLDSWFU-UHFFFAOYSA-N	1	0	397.515	4.179	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCCC3)ccc21	ZINC000009137614	209247786	/nfs/dbraw/zinc/24/77/86/209247786.db2.gz	LLHZZQJHNYTHNM-QHCPKHFHSA-N	1	0	395.522	4.165	50	10		GICARO
COc1cccc([C@@H]2CC(c3ccccc3)=NC3(CC[NH+](C(C)C)CC3)N2)c1O	ZINC000080324912	211158084	/nfs/dbraw/zinc/15/80/84/211158084.db2.gz	QBZWVDRUILKIBV-NRFANRHFSA-N	1	0	393.531	4.125	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)[NH+](C)C)ccc21	ZINC000013008193	136200720	/nfs/dbraw/zinc/20/07/20/136200720.db2.gz	BANCEGAPGJUBQF-HSZRJFAPSA-N	1	0	393.575	4.399	50	10		GICARO
O=C1c2ccccc2-c2onc3c2c1c(Nc1ccccc1)cc3N1CC[NH2+]CC1	ZINC000004819981	570246561	/nfs/dbraw/zinc/24/65/61/570246561.db2.gz	JGCAGBJTNJQXFC-UHFFFAOYSA-N	1	0	396.450	4.192	50	10		GICARO
COC(=O)c1cc2ccccc2c(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O	ZINC000029886845	570481755	/nfs/dbraw/zinc/48/17/55/570481755.db2.gz	ARDYANRFYCWXIA-OAQYLSRUSA-N	1	0	395.430	4.045	50	10		GICARO
Cc1oc2ccc(O)c(C[NH+]3CCCC3)c2c1C(=O)OCCOc1ccccc1	ZINC000005182469	570496347	/nfs/dbraw/zinc/49/63/47/570496347.db2.gz	UABGEYICQSPCFC-UHFFFAOYSA-N	1	0	395.455	4.278	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1	ZINC000042942795	570624529	/nfs/dbraw/zinc/62/45/29/570624529.db2.gz	LNZKLONKWLETRM-MRXNPFEDSA-N	1	0	381.451	4.310	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2cc(F)ccc2F)C1	ZINC000043071650	570625784	/nfs/dbraw/zinc/62/57/84/570625784.db2.gz	USFDIEFKOZMNLZ-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1c(O)cccc1OC)[NH2+]C2	ZINC000004191593	817509322	/nfs/dbraw/zinc/50/93/22/817509322.db2.gz	YUDFNRUFPQHGDK-HSZRJFAPSA-N	1	0	394.471	4.182	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCC3)ccc21	ZINC000016838226	818483725	/nfs/dbraw/zinc/48/37/25/818483725.db2.gz	LPPCPGZBZVWTFB-JOCHJYFZSA-N	1	0	397.950	4.289	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c(O)c1	ZINC000015079991	210152239	/nfs/dbraw/zinc/15/22/39/210152239.db2.gz	DLMKCZLQNXUSMD-SFHVURJKSA-N	1	0	383.488	4.121	50	10		GICARO
COCc1cc(C[NH2+][C@H]2CCCN(Cc3ccc(Cl)cc3)C2)ccc1OC	ZINC000022919917	210427901	/nfs/dbraw/zinc/42/79/01/210427901.db2.gz	PTYLEGBDFJNGER-NRFANRHFSA-N	1	0	388.939	4.249	50	10		GICARO
Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](Cc2ccccc2O)C1	ZINC000020917143	210368003	/nfs/dbraw/zinc/36/80/03/210368003.db2.gz	CAVSDUXJWACSPD-LJQANCHMSA-N	1	0	394.544	4.193	50	10		GICARO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc(Cl)c4)C3)CC2)cc1	ZINC000019595698	210276101	/nfs/dbraw/zinc/27/61/01/210276101.db2.gz	RNXRAHGYDSVEBT-QFIPXVFZSA-N	1	0	399.966	4.135	50	10		GICARO
CCOc1cccc([C@H]2CC(c3ccccc3)=NC3(CC[NH+](CC)CC3)N2)c1O	ZINC000065298338	570787609	/nfs/dbraw/zinc/78/76/09/570787609.db2.gz	ICJTZSWZNGSMDO-OAQYLSRUSA-N	1	0	393.531	4.127	50	10		GICARO
CC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)c(F)c1	ZINC000012543908	570843976	/nfs/dbraw/zinc/84/39/76/570843976.db2.gz	GOAUYVHGMGWNQI-UHFFFAOYSA-N	1	0	378.447	4.209	50	10		GICARO
CCOC(=O)[C@H]1CCC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1	ZINC000003336854	570858319	/nfs/dbraw/zinc/85/83/19/570858319.db2.gz	JJBBFGQVUKCGPB-AWEZNQCLSA-N	1	0	392.293	4.083	50	10		GICARO
COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1C	ZINC000170613545	570871916	/nfs/dbraw/zinc/87/19/16/570871916.db2.gz	WWWPMXSHPMVFQG-FPOVZHCZSA-N	1	0	395.547	4.097	50	10		GICARO
Cc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccc(C)cc1C	ZINC000013124387	210051608	/nfs/dbraw/zinc/05/16/08/210051608.db2.gz	IQCCIAHFNGIBEN-OAQYLSRUSA-N	1	0	384.487	4.157	50	10		GICARO
COc1ccccc1C(=O)N1c2cc(C[NH+](C)C)c(O)cc2[C@H](C)CC1(C)C	ZINC000070666541	209218168	/nfs/dbraw/zinc/21/81/68/209218168.db2.gz	MSDOWGCJYXQEGG-OAHLLOKOSA-N	1	0	382.504	4.395	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)c1	ZINC000011840364	221131193	/nfs/dbraw/zinc/13/11/93/221131193.db2.gz	GSEQFPXRCONGOB-KRWDZBQOSA-N	1	0	383.488	4.121	50	10		GICARO
C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cn1c2ccccc2sc1=S	ZINC000057761449	136154027	/nfs/dbraw/zinc/15/40/27/136154027.db2.gz	BFPAAZUZKTZZPU-UHFFFAOYSA-N	1	0	385.558	4.358	50	10		GICARO
CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(N(C)C)cc2)CC1	ZINC000034682614	570300490	/nfs/dbraw/zinc/30/04/90/570300490.db2.gz	BRZXMNPJGJZNSR-UHFFFAOYSA-N	1	0	383.511	4.299	50	10		GICARO
COc1cccc(O)c1C[NH+]1CCC(c2n[nH]cc2-c2cccc(C)c2)CC1	ZINC000012219078	570626897	/nfs/dbraw/zinc/62/68/97/570626897.db2.gz	LURPCUWBPPPXKN-UHFFFAOYSA-N	1	0	377.488	4.479	50	10		GICARO
Cc1cc(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)n1-c1ccccc1F	ZINC000032800844	570824789	/nfs/dbraw/zinc/82/47/89/570824789.db2.gz	NUWVSIWPWIRSLH-HXUWFJFHSA-N	1	0	385.508	4.327	50	10		GICARO
Cc1cc(/C=C2\NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000033349038	570992342	/nfs/dbraw/zinc/99/23/42/570992342.db2.gz	DYJVNQHKSLTAAI-UNOMPAQXSA-N	1	0	392.846	4.240	50	10		GICARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000004086820	817502175	/nfs/dbraw/zinc/50/21/75/817502175.db2.gz	BPIWLLZGRXAXQS-IBGZPJMESA-N	1	0	394.347	4.473	50	10		GICARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(Cl)c(Cl)c2)C1	ZINC000004086810	817502318	/nfs/dbraw/zinc/50/23/18/817502318.db2.gz	IGPGGVKEXIGRCQ-LJQANCHMSA-N	1	0	394.347	4.473	50	10		GICARO
COc1ccc(Br)cc1C[N@H+](C)Cc1cc2c(cc1O)CCC2	ZINC000007778452	221011165	/nfs/dbraw/zinc/01/11/65/221011165.db2.gz	PDFDBNXMHHDOMW-UHFFFAOYSA-N	1	0	376.294	4.284	50	10		GICARO
Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)cc1C	ZINC000013007767	221257172	/nfs/dbraw/zinc/25/71/72/221257172.db2.gz	QEFWROGRDXNLPI-XMMPIXPASA-N	1	0	391.559	4.253	50	10		GICARO
Cc1ccc(C2=NC3(CC[NH2+]CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1C	ZINC000065298081	222121560	/nfs/dbraw/zinc/12/15/60/222121560.db2.gz	SXYRXTIRFFGPKX-HXUWFJFHSA-N	1	0	383.923	4.266	50	10		GICARO
COc1cccc(-c2ccc(O)c(C[NH+]3CCN(c4ccccc4C)CC3)c2)n1	ZINC000064110332	537065253	/nfs/dbraw/zinc/06/52/53/537065253.db2.gz	LQRGWDYGXMEUDR-UHFFFAOYSA-N	1	0	389.499	4.093	50	10		GICARO
COc1cccc(CNc2[nH+]cc(-c3cccc(Br)c3)n2C)c1O	ZINC000004678296	570824268	/nfs/dbraw/zinc/82/42/68/570824268.db2.gz	YMJUVHQVUNRVLN-UHFFFAOYSA-N	1	0	388.265	4.176	50	10		GICARO
CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@@H]12	ZINC000526052469	570846082	/nfs/dbraw/zinc/84/60/82/570846082.db2.gz	HMIVXETYJNJTAJ-RXVVDRJESA-N	1	0	398.547	4.147	50	10		GICARO
COCc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(O)c2ncccc12	ZINC000021167828	818660319	/nfs/dbraw/zinc/66/03/19/818660319.db2.gz	YONMHNLUANQLPH-UHFFFAOYSA-N	1	0	397.906	4.062	50	10		GICARO
CCC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010213914	212237031	/nfs/dbraw/zinc/23/70/31/212237031.db2.gz	JMLYQOXJKVPBOF-HXUWFJFHSA-N	1	0	377.488	4.138	50	10		GICARO
Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)[NH+]1CCCCC1	ZINC000009137337	221071931	/nfs/dbraw/zinc/07/19/31/221071931.db2.gz	WBEHQHXJGUQMLM-XMMPIXPASA-N	1	0	391.559	4.334	50	10		GICARO
CCOc1cccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1O	ZINC000012442802	221195401	/nfs/dbraw/zinc/19/54/01/221195401.db2.gz	KZTZVHAGELUEQL-ZDUSSCGKSA-N	1	0	387.430	4.414	50	10		GICARO
Cc1ccc(C2=NC3(CC[NH2+]CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1C	ZINC000065298079	222121903	/nfs/dbraw/zinc/12/19/03/222121903.db2.gz	SXYRXTIRFFGPKX-FQEVSTJZSA-N	1	0	383.923	4.266	50	10		GICARO
COc1ccc(N2CC[NH+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CC2)cc1	ZINC000000756594	524435011	/nfs/dbraw/zinc/43/50/11/524435011.db2.gz	HRPCHJFRBJHTJU-MRXNPFEDSA-N	1	0	378.438	4.467	50	10		GICARO
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCC[NH+](CC)CC	ZINC000100163531	570313016	/nfs/dbraw/zinc/31/30/16/570313016.db2.gz	ULGBYZRLMIVPMV-FOCLMDBBSA-N	1	0	399.564	4.004	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)[NH+](C)C)cc1	ZINC000005097736	570417096	/nfs/dbraw/zinc/41/70/96/570417096.db2.gz	IATCGPKSXKVSSK-GOSISDBHSA-N	1	0	380.319	4.092	50	10		GICARO
CCN(CC)c1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000006869687	570497460	/nfs/dbraw/zinc/49/74/60/570497460.db2.gz	IVXWWAMYTACAJK-UHFFFAOYSA-N	1	0	376.888	4.296	50	10		GICARO
CC1(C)CC([NH2+]Cc2c([O-])ccc3c4ccccc4c(=O)oc32)CC(C)(C)[NH2+]1	ZINC000006760055	570574788	/nfs/dbraw/zinc/57/47/88/570574788.db2.gz	LVSBOJMUTBPKCA-UHFFFAOYSA-N	1	0	380.488	4.051	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)Nc3cccs3)[NH+]3CCCC3)ccc21	ZINC000036705358	570792957	/nfs/dbraw/zinc/79/29/57/570792957.db2.gz	HSTIWLOGMNLBDJ-LJQANCHMSA-N	1	0	384.549	4.089	50	10		GICARO
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc[nH+]cc1	ZINC000000983159	212201352	/nfs/dbraw/zinc/20/13/52/212201352.db2.gz	DYJVNQHKSLTAAI-XDHOZWIPSA-N	1	0	392.846	4.240	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCCC3)ccc21	ZINC000009137591	212163201	/nfs/dbraw/zinc/16/32/01/212163201.db2.gz	RVDHAPZEOFFPAG-HSZRJFAPSA-N	1	0	395.522	4.165	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12	ZINC000010213954	221098715	/nfs/dbraw/zinc/09/87/15/221098715.db2.gz	FADFHKSJAGCCAZ-LJQANCHMSA-N	1	0	397.906	4.401	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213949	221098940	/nfs/dbraw/zinc/09/89/40/221098940.db2.gz	FADFHKSJAGCCAZ-IBGZPJMESA-N	1	0	397.906	4.401	50	10		GICARO
CCOc1ccc(C[NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)cc1CO	ZINC000011753413	221122659	/nfs/dbraw/zinc/12/26/59/221122659.db2.gz	NLVJNBHDUOYCQG-OAHLLOKOSA-N	1	0	383.467	4.062	50	10		GICARO
COc1ccc(CC2(CO)CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1	ZINC000012459322	221198975	/nfs/dbraw/zinc/19/89/75/221198975.db2.gz	YWPGXJPODSVTOO-UHFFFAOYSA-N	1	0	391.511	4.371	50	10		GICARO
CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)[NH+]3CCCCC3)ccc21	ZINC000013007763	221256930	/nfs/dbraw/zinc/25/69/30/221256930.db2.gz	QTVMSGQIXVNSPY-QFIPXVFZSA-N	1	0	397.950	4.289	50	10		GICARO
CCNC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CCCN3C)s1	ZINC000019114036	221396216	/nfs/dbraw/zinc/39/62/16/221396216.db2.gz	IANPLLSPYAUDSI-IBGZPJMESA-N	1	0	383.561	4.217	50	10		GICARO
C[N@H+](Cc1cc(=O)oc2cc(O)c(O)cc12)C1c2ccccc2-c2ccccc21	ZINC000095996074	222368898	/nfs/dbraw/zinc/36/88/98/222368898.db2.gz	NWOFEVFFURLTMG-UHFFFAOYSA-N	1	0	385.419	4.406	50	10		GICARO
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H]1CCC[N@@H+]2CCCC[C@H]12	ZINC000604406363	570358156	/nfs/dbraw/zinc/35/81/56/570358156.db2.gz	RJOXFTKRUPTEJW-HTAPYJJXSA-N	1	0	398.506	4.477	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c(O)c1	ZINC000042628383	570621281	/nfs/dbraw/zinc/62/12/81/570621281.db2.gz	XFDNDASNWQONQZ-HNNXBMFYSA-N	1	0	399.441	4.449	50	10		GICARO
COc1ccc2ccc(O)c(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)c2c1	ZINC000007317532	570828791	/nfs/dbraw/zinc/82/87/91/570828791.db2.gz	FTJRQDIEAWGBBM-UHFFFAOYSA-N	1	0	392.499	4.023	50	10		GICARO
CCOC(=O)c1c(C)[n+](-c2ccc(C)cc2)c(CC)c2cc(OC)c(OC)cc21	ZINC000002102470	570942159	/nfs/dbraw/zinc/94/21/59/570942159.db2.gz	WBMHKFWLRSDTPB-UHFFFAOYSA-N	1	0	394.491	4.490	50	10		GICARO
COc1cccc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O	ZINC000019362068	570979749	/nfs/dbraw/zinc/97/97/49/570979749.db2.gz	UDTBCHLPTINKIU-UHFFFAOYSA-N	1	0	388.511	4.308	50	10		GICARO
O=[N+]([O-])c1ccc(N2CCCCC2)c(C[NH2+]CCCSc2nccs2)c1	ZINC000072289950	571047704	/nfs/dbraw/zinc/04/77/04/571047704.db2.gz	NQEKWTRBOXGKIV-UHFFFAOYSA-N	1	0	392.550	4.314	50	10		GICARO
C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214201	221098094	/nfs/dbraw/zinc/09/80/94/221098094.db2.gz	NHNXXFIQYOINBY-IBGZPJMESA-N	1	0	383.879	4.011	50	10		GICARO
CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2ccccc2O)CC1	ZINC000012591896	221211682	/nfs/dbraw/zinc/21/16/82/221211682.db2.gz	ZSZRYPUZXWZKQJ-UHFFFAOYSA-N	1	0	387.907	4.434	50	10		GICARO
C[NH+]1CCN(c2ccc(-c3nc4ccc(Br)cc4s3)cc2)CC1	ZINC000013558451	221273528	/nfs/dbraw/zinc/27/35/28/221273528.db2.gz	CLTHVXHFUZWNAX-UHFFFAOYSA-N	1	0	388.334	4.478	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)[NH+]3CCCC3)ccc21	ZINC000016838192	221371817	/nfs/dbraw/zinc/37/18/17/221371817.db2.gz	DMIFBVOJZLHIOS-JOCHJYFZSA-N	1	0	397.950	4.289	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1	ZINC000020209670	221478288	/nfs/dbraw/zinc/47/82/88/221478288.db2.gz	YDHZMCLGIIYZFT-SFHVURJKSA-N	1	0	377.488	4.479	50	10		GICARO
CC[NH+]1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cc(Cl)ccc1O)N2	ZINC000065297956	222122317	/nfs/dbraw/zinc/12/23/17/222122317.db2.gz	PZFPILAIRIPIGV-HXUWFJFHSA-N	1	0	383.923	4.381	50	10		GICARO
COc1cccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c1O	ZINC000065433042	222129503	/nfs/dbraw/zinc/12/95/03/222129503.db2.gz	FDAFHBXPNXXSBJ-GOSISDBHSA-N	1	0	376.456	4.158	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)Nc3ccccc3)[NH+]3CCCC3)ccc21	ZINC000035597168	570399897	/nfs/dbraw/zinc/39/98/97/570399897.db2.gz	PTRZNBHDQFVYAY-QFIPXVFZSA-N	1	0	378.520	4.028	50	10		GICARO
C[C@@H]1C[C@H](C)C[N@H+](C2CCN(Cc3cc(Br)ccc3O)CC2)C1	ZINC000002734632	570511864	/nfs/dbraw/zinc/51/18/64/570511864.db2.gz	YDICPMBHHWNYNB-GASCZTMLSA-N	1	0	381.358	4.097	50	10		GICARO
COc1ccc(C2=NC3(CC[NH+](C(C)C)CC3)N[C@H](c3ccccc3O)C2)cc1	ZINC000006949929	570720188	/nfs/dbraw/zinc/72/01/88/570720188.db2.gz	SSLPVYTVCVFETK-QFIPXVFZSA-N	1	0	393.531	4.125	50	10		GICARO
Oc1cc2c(cc1C[NH+]1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2	ZINC000002646994	817395728	/nfs/dbraw/zinc/39/57/28/817395728.db2.gz	YODDICMHJSCMLR-UHFFFAOYSA-N	1	0	376.422	4.222	50	10		GICARO
Cc1ccccc1N1C[C@@](O)(c2ccc(C(C)(C)C)cc2)[N+]2=C1SCCC2	ZINC000003226875	817423982	/nfs/dbraw/zinc/42/39/82/817423982.db2.gz	IDPQXBQNOWPVKQ-HSZRJFAPSA-N	1	0	381.565	4.463	50	10		GICARO
Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)c1	ZINC000009137938	221072246	/nfs/dbraw/zinc/07/22/46/221072246.db2.gz	JSJYGBMLHSJIII-DEOSSOPVSA-N	1	0	391.559	4.334	50	10		GICARO
O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)C1(c2ccc(Cl)cc2)CC1	ZINC000011815168	221127744	/nfs/dbraw/zinc/12/77/44/221127744.db2.gz	ONQKFNUCNPUCEH-KRWDZBQOSA-N	1	0	398.934	4.106	50	10		GICARO
CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2O)C1	ZINC000012074870	221148063	/nfs/dbraw/zinc/14/80/63/221148063.db2.gz	ALTRZTFWFRCUKK-DEOSSOPVSA-N	1	0	397.515	4.179	50	10		GICARO
CCOC(=O)c1ccc2c(c1)[n+](CC)c(C=CN(C)c1ccccc1)n2CC	ZINC000013125120	221261694	/nfs/dbraw/zinc/26/16/94/221261694.db2.gz	JNPFNYVARVIJCE-UHFFFAOYSA-N	1	0	378.496	4.252	50	10		GICARO
CC[NH+]1CCC2(CC1)N=C(c1ccc(C)cc1)C[C@H](c1cccc(OC)c1O)N2	ZINC000065298153	222122493	/nfs/dbraw/zinc/12/24/93/222122493.db2.gz	MLMIAVKTBKTCHU-OAQYLSRUSA-N	1	0	393.531	4.045	50	10		GICARO
CCC(=O)N(c1ccc(CC)cc1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000034683401	570301036	/nfs/dbraw/zinc/30/10/36/570301036.db2.gz	XKWUIOAQFPIQSX-UHFFFAOYSA-N	1	0	396.531	4.371	50	10		GICARO
CN(C)[C@@H](Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1	ZINC000604405226	570361814	/nfs/dbraw/zinc/36/18/14/570361814.db2.gz	NYEFLFLFSZNBRR-IBGZPJMESA-N	1	0	384.435	4.109	50	10		GICARO
CC(C)OCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c2ncccc12	ZINC000006804067	570391867	/nfs/dbraw/zinc/39/18/67/570391867.db2.gz	HSSXADRZUDGTHL-UHFFFAOYSA-N	1	0	391.515	4.188	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2Cl)[NH+]2CCCC2)cc1	ZINC000005097973	570417101	/nfs/dbraw/zinc/41/71/01/570417101.db2.gz	JPWVLVHRHASHAI-IBGZPJMESA-N	1	0	389.902	4.112	50	10		GICARO
Oc1cc2c(cc1[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)OCO2	ZINC000005763586	570455929	/nfs/dbraw/zinc/45/59/29/570455929.db2.gz	CNHAVYWPOCSGHE-SFHVURJKSA-N	1	0	376.250	4.069	50	10		GICARO
Cc1c(C)c2cc(Cl)c([O-])c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c2oc1=O	ZINC000006759521	570492329	/nfs/dbraw/zinc/49/23/29/570492329.db2.gz	GZLRMPXQPVESGY-UHFFFAOYSA-N	1	0	392.927	4.168	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3c(F)cccc3F)C2)c1	ZINC000043004829	570625103	/nfs/dbraw/zinc/62/51/03/570625103.db2.gz	HYJFBNLNROBPFH-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CC)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000526052463	570846177	/nfs/dbraw/zinc/84/61/77/570846177.db2.gz	HMIVXETYJNJTAJ-GHTZIAJQSA-N	1	0	398.547	4.147	50	10		GICARO
COc1ccc(N2CC[NH+](CC[C@@H](O)c3ccc4ccccc4c3)CC2)cc1	ZINC000002521078	817391876	/nfs/dbraw/zinc/39/18/76/817391876.db2.gz	YLTRVLLAUCLYTN-XMMPIXPASA-N	1	0	376.500	4.094	50	10		GICARO
CCc1ccc(C[N@@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)cc1	ZINC000023374967	818929908	/nfs/dbraw/zinc/92/99/08/818929908.db2.gz	IUGXVXFQTKEWPQ-DEOSSOPVSA-N	1	0	393.575	4.044	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12	ZINC000010214208	221098650	/nfs/dbraw/zinc/09/86/50/221098650.db2.gz	CBNXJPFWPLPVTI-HXUWFJFHSA-N	1	0	397.906	4.401	50	10		GICARO
CC[NH+]1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12	ZINC000010214104	221098850	/nfs/dbraw/zinc/09/88/50/221098850.db2.gz	AVGHBEFAWAZLFK-LJQANCHMSA-N	1	0	397.906	4.401	50	10		GICARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)[NH+]3CCCCC3)ccc21	ZINC000013007765	221256410	/nfs/dbraw/zinc/25/64/10/221256410.db2.gz	QLIDKIKRCDRKSB-QFIPXVFZSA-N	1	0	397.950	4.289	50	10		GICARO
CN1CCc2cc([C@@H](CNC(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000035597221	221830101	/nfs/dbraw/zinc/83/01/01/221830101.db2.gz	XNLGPJRBZLSNPU-JOCHJYFZSA-N	1	0	378.520	4.028	50	10		GICARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1	ZINC000065364359	536421742	/nfs/dbraw/zinc/42/17/42/536421742.db2.gz	LJOOBLVZKJDDRY-UHFFFAOYSA-N	1	0	385.511	4.035	50	10		GICARO
Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2nc3ccccc3s2)CC1	ZINC000023257286	570353251	/nfs/dbraw/zinc/35/32/51/570353251.db2.gz	VCWJHTVXFZPYBY-UHFFFAOYSA-N	1	0	389.524	4.473	50	10		GICARO
CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035560540	570396909	/nfs/dbraw/zinc/39/69/09/570396909.db2.gz	NXHKRQQTTLHYTN-DEOSSOPVSA-N	1	0	391.559	4.158	50	10		GICARO
CC(C)(C)c1cc(C[NH+]2CCN(c3cnccn3)CC2)c(O)c(C(C)(C)C)c1	ZINC000026663162	570427556	/nfs/dbraw/zinc/42/75/56/570427556.db2.gz	JRIZECGDNNXMEV-UHFFFAOYSA-N	1	0	382.552	4.099	50	10		GICARO
C[N@H+](Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1	ZINC000002493230	570503493	/nfs/dbraw/zinc/50/34/93/570503493.db2.gz	QZUYQXFBUVYYBM-UHFFFAOYSA-N	1	0	389.337	4.251	50	10		GICARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(F)c3)C2)c1	ZINC000042942792	570624278	/nfs/dbraw/zinc/62/42/78/570624278.db2.gz	LNZKLONKWLETRM-INIZCTEOSA-N	1	0	381.451	4.310	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(F)cc3F)C2)c1O	ZINC000043004856	570624963	/nfs/dbraw/zinc/62/49/63/570624963.db2.gz	YMRMUTGUPDBWHH-CQSZACIVSA-N	1	0	399.441	4.449	50	10		GICARO
CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc21	ZINC000006865412	570654611	/nfs/dbraw/zinc/65/46/11/570654611.db2.gz	YVOCBKRPXBMKBG-UHFFFAOYSA-N	1	0	378.472	4.405	50	10		GICARO
Cc1cc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)n1-c1ccccc1F	ZINC000032800841	570824721	/nfs/dbraw/zinc/82/47/21/570824721.db2.gz	NUWVSIWPWIRSLH-FQEVSTJZSA-N	1	0	385.508	4.327	50	10		GICARO
O[C@@]1(c2ccc(Cl)cc2Cl)CN(c2ccccc2)C2=[N+]1CCCS2	ZINC000003226879	570839288	/nfs/dbraw/zinc/83/92/88/570839288.db2.gz	MQLYLSGXDJMIQB-GOSISDBHSA-N	1	0	380.320	4.164	50	10		GICARO
Cc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc(O)c(C[NH+](C)C)c32)cc1	ZINC000019334535	570976109	/nfs/dbraw/zinc/97/61/09/570976109.db2.gz	IZJMWZVDDPBOIN-OUKQBFOZSA-N	1	0	394.475	4.147	50	10		GICARO
CCCC[NH2+]C1CCN(c2cccc(NC(=O)c3ccccc3OC)c2)CC1	ZINC000012097289	818141205	/nfs/dbraw/zinc/14/12/05/818141205.db2.gz	NRJRGCCSLLKDQH-UHFFFAOYSA-N	1	0	381.520	4.306	50	10		GICARO
Cc1ccc(C)n1-c1ccc(C(=O)NCCn2c(C)c[nH+]c2C2CCC2)cc1	ZINC000575555520	823977001	/nfs/dbraw/zinc/97/70/01/823977001.db2.gz	ODOIBHNOMXNSFZ-UHFFFAOYSA-N	1	0	376.504	4.297	50	10		GICARO
COc1cccc(C[NH+]2CCC(c3n[nH]cc3-c3cccc(C)c3)CC2)c1O	ZINC000012151384	221160550	/nfs/dbraw/zinc/16/05/50/221160550.db2.gz	UUQVRSSJQQTJCU-UHFFFAOYSA-N	1	0	377.488	4.479	50	10		GICARO
CC(C)(C)C(=O)Nc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1	ZINC000012300466	221177383	/nfs/dbraw/zinc/17/73/83/221177383.db2.gz	YAGFPYTUSJXVTH-UHFFFAOYSA-N	1	0	390.915	4.064	50	10		GICARO
COc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c(O)c1	ZINC000012241988	221173498	/nfs/dbraw/zinc/17/34/98/221173498.db2.gz	QYAYUPURTLUQLA-LJQANCHMSA-N	1	0	377.488	4.479	50	10		GICARO
Cc1cc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)c(C)n1-c1ccc(C)cc1C	ZINC000013124388	221261963	/nfs/dbraw/zinc/26/19/63/221261963.db2.gz	IQCCIAHFNGIBEN-NRFANRHFSA-N	1	0	384.487	4.157	50	10		GICARO
CCOc1cccc(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)c1O	ZINC000014971772	221322273	/nfs/dbraw/zinc/32/22/73/221322273.db2.gz	BUCKQLCAYHUPRP-UHFFFAOYSA-N	1	0	383.532	4.388	50	10		GICARO
CCOc1ccccc1N1CC[NH+](Cc2c(O)ccc3ccc(OC)cc32)CC1	ZINC000023381736	570359824	/nfs/dbraw/zinc/35/98/24/570359824.db2.gz	XYCAWBRUGDKMMF-UHFFFAOYSA-N	1	0	392.499	4.275	50	10		GICARO
COc1cccc(O)c1C[N@@H+]1CCC[C@H](c2n[nH]cc2-c2c(F)cccc2F)C1	ZINC000043083311	570625543	/nfs/dbraw/zinc/62/55/43/570625543.db2.gz	UGFWIPQZBNMRIO-AWEZNQCLSA-N	1	0	399.441	4.449	50	10		GICARO
COC(=O)Cc1c(CSc2ccccc2)oc2ccc(O)c(C[NH+](C)C)c21	ZINC000002262040	817381889	/nfs/dbraw/zinc/38/18/89/817381889.db2.gz	LCPQQYOICPPWPQ-UHFFFAOYSA-N	1	0	385.485	4.208	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3cccs3)[NH+]3CCCCC3)ccc21	ZINC000009137693	212164216	/nfs/dbraw/zinc/16/42/16/212164216.db2.gz	HNQWKMQYGNYAIP-FQEVSTJZSA-N	1	0	383.561	4.088	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccccc3F)[NH+]3CCCCC3)ccc21	ZINC000009137575	212163914	/nfs/dbraw/zinc/16/39/14/212163914.db2.gz	JVOBDTWQPMITIR-QHCPKHFHSA-N	1	0	395.522	4.165	50	10		GICARO
CC(C)[NH+]1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12	ZINC000010213932	221098896	/nfs/dbraw/zinc/09/88/96/221098896.db2.gz	OCAANAWYZOAYKV-FQEVSTJZSA-N	1	0	377.488	4.136	50	10		GICARO
CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2O)C1	ZINC000012074868	221148856	/nfs/dbraw/zinc/14/88/56/221148856.db2.gz	ALTRZTFWFRCUKK-XMMPIXPASA-N	1	0	397.515	4.179	50	10		GICARO
CCOc1cccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c1O	ZINC000012442804	221195291	/nfs/dbraw/zinc/19/52/91/221195291.db2.gz	KZTZVHAGELUEQL-CYBMUJFWSA-N	1	0	387.430	4.414	50	10		GICARO
Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCC2)c1	ZINC000013008235	136200695	/nfs/dbraw/zinc/20/06/95/136200695.db2.gz	BAVLVLLIEQUDBK-DEOSSOPVSA-N	1	0	391.559	4.253	50	10		GICARO
CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)[NH+](C)C)ccc21	ZINC000013008191	136200755	/nfs/dbraw/zinc/20/07/55/136200755.db2.gz	BANCEGAPGJUBQF-QHCPKHFHSA-N	1	0	393.575	4.399	50	10		GICARO
Oc1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=NC2(CC[NH2+]CC2)N1	ZINC000065297983	222121643	/nfs/dbraw/zinc/12/16/43/222121643.db2.gz	UKTQMGHIMCSRAK-GOSISDBHSA-N	1	0	390.314	4.302	50	10		GICARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C)c3)C2)c1O	ZINC000020449645	570256299	/nfs/dbraw/zinc/25/62/99/570256299.db2.gz	QLQHCJIHPCGHGG-GOSISDBHSA-N	1	0	377.488	4.479	50	10		GICARO
CCC(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2cccc(OC)c2O)CC1	ZINC000034683364	570301010	/nfs/dbraw/zinc/30/10/10/570301010.db2.gz	WYHKBBZDGMGWIF-UHFFFAOYSA-N	1	0	382.504	4.117	50	10		GICARO
CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035560537	570396813	/nfs/dbraw/zinc/39/68/13/570396813.db2.gz	NXHKRQQTTLHYTN-XMMPIXPASA-N	1	0	391.559	4.158	50	10		GICARO
CN1CCCc2cc([C@@H](CNC(=O)Nc3ccccc3)[NH+]3CCCC3)ccc21	ZINC000035597167	570399677	/nfs/dbraw/zinc/39/96/77/570399677.db2.gz	PTRZNBHDQFVYAY-JOCHJYFZSA-N	1	0	378.520	4.028	50	10		GICARO
CN1CCc2cc([C@H](CNC(=O)Nc3ccccc3)[NH+]3CCCCC3)ccc21	ZINC000035597222	570400047	/nfs/dbraw/zinc/40/00/47/570400047.db2.gz	XNLGPJRBZLSNPU-QFIPXVFZSA-N	1	0	378.520	4.028	50	10		GICARO
CCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000006759052	570574008	/nfs/dbraw/zinc/57/40/08/570574008.db2.gz	YVIGMCIGBWHHRR-UHFFFAOYSA-N	1	0	392.927	4.113	50	10		GICARO
CCOC(=O)C1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1	ZINC000006997941	570732981	/nfs/dbraw/zinc/73/29/81/570732981.db2.gz	LBUDKGZXGHTYKH-UHFFFAOYSA-N	1	0	392.293	4.083	50	10		GICARO