smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000002966125	204071782	/nfs/dbraw/zinc/07/17/82/204071782.db2.gz	VNQMESYJNVYSFA-IBGZPJMESA-N	1	0	370.454	3.074	50	10		FGCARO
COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000005098023	204191358	/nfs/dbraw/zinc/19/13/58/204191358.db2.gz	VKOGJVGIFPORGK-NRFANRHFSA-N	1	0	367.493	3.328	50	10		FGCARO
CN(C)c1ccc([C@@H](CNC(=O)c2cccc(F)c2)[NH+]2CCCC2)cc1	ZINC000005097981	204191510	/nfs/dbraw/zinc/19/15/10/204191510.db2.gz	WZHDHPJYKJULPF-HXUWFJFHSA-N	1	0	355.457	3.459	50	10		FGCARO
C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1	ZINC000054471482	205200986	/nfs/dbraw/zinc/20/09/86/205200986.db2.gz	XAPSDPCOYBOGRU-MRXNPFEDSA-N	1	0	356.510	3.351	50	10		FGCARO
CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1	ZINC000064756232	136133697	/nfs/dbraw/zinc/13/36/97/136133697.db2.gz	DAQLZUQAPBPRRZ-UHFFFAOYSA-N	1	0	357.885	3.412	50	10		FGCARO
COc1ccc(N2CC[N@H+](Cc3cnc(N(C)C)s3)CC2(C)C)cc1	ZINC000072141905	494133372	/nfs/dbraw/zinc/13/33/72/494133372.db2.gz	SXHGWMDRSUWBDA-UHFFFAOYSA-N	1	0	360.527	3.319	50	10		FGCARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCCC[C@@H]3CO)c2)c1	ZINC000012245106	494216840	/nfs/dbraw/zinc/21/68/40/494216840.db2.gz	WNXUJOUJEPVCOP-QGZVFWFLSA-N	1	0	357.450	3.423	50	10		FGCARO
Oc1ccc(Cl)cc1C1=NC2(CC[NH2+]CC2)N[C@@H](c2ccccc2O)C1	ZINC000015830202	494370013	/nfs/dbraw/zinc/37/00/13/494370013.db2.gz	XWRFAPAMEKGFSG-MRXNPFEDSA-N	1	0	371.868	3.355	50	10		FGCARO
COc1ccc(N2CC[NH+](CCCNc3nc4ccccc4o3)CC2)cc1	ZINC000024973657	494685109	/nfs/dbraw/zinc/68/51/09/494685109.db2.gz	HKAIUZSWTAWHHO-UHFFFAOYSA-N	1	0	366.465	3.461	50	10		FGCARO
COc1ccc(O)c([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c1	ZINC000097113253	495024155	/nfs/dbraw/zinc/02/41/55/495024155.db2.gz	ULOXLYIKZQFKHV-CQSZACIVSA-N	1	0	372.440	3.495	50	10		FGCARO
O=C(C1CC[NH+](Cc2ccccc2O)CC1)N1CCc2ccccc2C1	ZINC000002828237	204061412	/nfs/dbraw/zinc/06/14/12/204061412.db2.gz	FWVVILOECRFOSK-UHFFFAOYSA-N	1	0	350.462	3.189	50	10		FGCARO
CN(C)c1ccc([C@H](CNC(=O)C2CC2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349252	494075567	/nfs/dbraw/zinc/07/55/67/494075567.db2.gz	ZPCMXGZVJYXJFV-QFIPXVFZSA-N	1	0	363.505	3.378	50	10		FGCARO
O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1	ZINC000012373109	494227761	/nfs/dbraw/zinc/22/77/61/494227761.db2.gz	KRDZRLAKFCGOCS-CQSZACIVSA-N	1	0	359.857	3.083	50	10		FGCARO
CCN(CC)C(=O)N(C)[C@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@H+](C)C1	ZINC000005608734	204217384	/nfs/dbraw/zinc/21/73/84/204217384.db2.gz	IUDWQVQNXFHEFN-ILZDJORESA-N	1	0	368.525	3.284	50	10		FGCARO
CCOc1ccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097727	204192257	/nfs/dbraw/zinc/19/22/57/204192257.db2.gz	IQOGZSCNHFNVMW-NRFANRHFSA-N	1	0	369.509	3.113	50	10		FGCARO
COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1	ZINC000005098015	204192291	/nfs/dbraw/zinc/19/22/91/204192291.db2.gz	FIIIUPVGNIFXBC-HXUWFJFHSA-N	1	0	367.493	3.328	50	10		FGCARO
COc1cccc(CNc2[nH+]cc(-c3cccc([N+](=O)[O-])c3)n2C)c1O	ZINC000009805825	204381916	/nfs/dbraw/zinc/38/19/16/204381916.db2.gz	QIOSEMPFZPPBFZ-UHFFFAOYSA-N	1	0	354.366	3.322	50	10		FGCARO
COc1cccc(C[NH+]2CCN(c3nsc4ccccc43)CC2)c1O	ZINC000065427367	205350611	/nfs/dbraw/zinc/35/06/11/205350611.db2.gz	GXYHUQWCNKQWII-UHFFFAOYSA-N	1	0	355.463	3.333	50	10		FGCARO
CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1	ZINC000248616554	497058148	/nfs/dbraw/zinc/05/81/48/497058148.db2.gz	LYKVYTSXMGUOOH-QXAKKESOSA-N	1	0	359.514	3.488	50	10		FGCARO
COCC[N@H+](C)CCCNC(=O)Nc1c(C)cc(Br)cc1C	ZINC000048466894	570955716	/nfs/dbraw/zinc/95/57/16/570955716.db2.gz	GSSCWHNJVAIIDS-UHFFFAOYSA-N	1	0	372.307	3.156	50	10		FGCARO
C[N@@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12	ZINC000524730391	571258541	/nfs/dbraw/zinc/25/85/41/571258541.db2.gz	HNEVCERPQUACIP-FUHWJXTLSA-N	1	0	356.466	3.195	50	10		FGCARO
COc1ccc([C@]2(O)[C@@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000002921926	204067971	/nfs/dbraw/zinc/06/79/71/204067971.db2.gz	JKEFHHHDDIZNMW-JLTOFOAXSA-N	1	0	373.473	3.394	50	10		FGCARO
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+](C)C)cc1	ZINC000005097685	204191968	/nfs/dbraw/zinc/19/19/68/204191968.db2.gz	MVVDQXUWWHWDRJ-LJQANCHMSA-N	1	0	359.901	3.368	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccnc4)no3)C2)c1O	ZINC000065492571	205356068	/nfs/dbraw/zinc/35/60/68/205356068.db2.gz	MNQJHIQCWFDJAZ-MRXNPFEDSA-N	1	0	366.421	3.225	50	10		FGCARO
C[C@@H](Sc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000065362188	205338617	/nfs/dbraw/zinc/33/86/17/205338617.db2.gz	DELJYFPVVAHZBZ-QGZVFWFLSA-N	1	0	369.534	3.235	50	10		FGCARO
O=C1CC[C@]2(CCC[N@@H+](Cc3ccccc3O)C2)CN1Cc1ccncc1	ZINC000072474841	494180626	/nfs/dbraw/zinc/18/06/26/494180626.db2.gz	REWBIKNMJDQBAX-QFIPXVFZSA-N	1	0	365.477	3.192	50	10		FGCARO
Cc1cc(O)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C	ZINC000022941454	494543780	/nfs/dbraw/zinc/54/37/80/494543780.db2.gz	OFIWCLUXCNIVGN-UHFFFAOYSA-N	1	0	354.450	3.056	50	10		FGCARO
COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(Br)cnc2OC)c1	ZINC000851900719	731516968	/nfs/dbraw/zinc/51/69/68/731516968.db2.gz	XKUPJUDRZXOOBA-SNVBAGLBSA-N	1	0	367.243	3.418	50	10		FGCARO
CCc1ccc([C@@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCS3)cc1	ZINC000002965932	204071270	/nfs/dbraw/zinc/07/12/70/204071270.db2.gz	UNTOYFGODVPQDZ-NRFANRHFSA-N	1	0	369.510	3.428	50	10		FGCARO
COc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1O	ZINC000004725584	204158957	/nfs/dbraw/zinc/15/89/57/204158957.db2.gz	XKPUABBFALKOCC-INIZCTEOSA-N	1	0	368.477	3.490	50	10		FGCARO
CCc1cc(C[NH+]2CCN(c3ncccn3)CC2)c(O)c(C(C)(C)C)c1	ZINC000040161120	136119559	/nfs/dbraw/zinc/11/95/59/136119559.db2.gz	WLEVNYITTNIXMY-UHFFFAOYSA-N	1	0	354.498	3.364	50	10		FGCARO
Cc1oc2ccc(O)c(CN3CC[NH+](C)CC3)c2c1C(=O)OCC(C)C	ZINC000019794010	494459877	/nfs/dbraw/zinc/45/98/77/494459877.db2.gz	CQNBXEFBJVRWRA-UHFFFAOYSA-N	1	0	360.454	3.007	50	10		FGCARO
C[NH+](C)[C@@H]1c2ccccc2C2(CC[NH+](Cc3cccc(F)c3[O-])CC2)[C@H]1O	ZINC000020137405	494467288	/nfs/dbraw/zinc/46/72/88/494467288.db2.gz	PSZSLGWATYMRBB-CTNGQTDRSA-N	1	0	370.468	3.042	50	10		FGCARO
C[C@@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1	ZINC000067894991	494686455	/nfs/dbraw/zinc/68/64/55/494686455.db2.gz	DRZCJFRTJBFIPH-CYBMUJFWSA-N	1	0	370.478	3.444	50	10		FGCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccccc43)CC2)cc1	ZINC000020358269	524426813	/nfs/dbraw/zinc/42/68/13/524426813.db2.gz	FQWQGJWISRBVCO-NRFANRHFSA-N	1	0	351.450	3.032	50	10		FGCARO
CC[NH+](CC)CCNC(=O)c1ccc(-n2c(C)cc3c2CCCC3=O)cc1	ZINC000003223616	204083057	/nfs/dbraw/zinc/08/30/57/204083057.db2.gz	SVQMWPPGADXBNF-UHFFFAOYSA-N	1	0	367.493	3.376	50	10		FGCARO
CCOc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O	ZINC000005045755	204187077	/nfs/dbraw/zinc/18/70/77/204187077.db2.gz	POKKKCMFBUUUDQ-INIZCTEOSA-N	1	0	360.498	3.261	50	10		FGCARO
CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(O)c(O)c1	ZINC000009015689	204351992	/nfs/dbraw/zinc/35/19/92/204351992.db2.gz	COVNNLLUWAZWMS-GOSISDBHSA-N	1	0	365.389	3.278	50	10		FGCARO
Cc1ccccc1N1CC[NH+](Cc2cc(-c3ncccn3)ccc2O)CC1	ZINC000064045187	205298157	/nfs/dbraw/zinc/29/81/57/205298157.db2.gz	OYJKUKZCMJYYCB-UHFFFAOYSA-N	1	0	360.461	3.480	50	10		FGCARO
O=C1[N-]C(=O)C(=Cc2nc(-c3ccccc3Cl)n3ccccc23)C(=O)N1	ZINC000000956901	493779996	/nfs/dbraw/zinc/77/99/96/493779996.db2.gz	SNZQFPZRARRASY-UHFFFAOYSA-N	1	0	366.764	3.244	50	10		FGCARO
COc1ccc(N2CC[NH+](CCCNC(=O)Nc3ccccc3)CC2)cc1	ZINC000004791570	493893527	/nfs/dbraw/zinc/89/35/27/493893527.db2.gz	BLBMCQZYNKYIHZ-UHFFFAOYSA-N	1	0	368.481	3.029	50	10		FGCARO
CCCC[N@H+](C)C[C@@H]1C(=O)N(Cc2ccccc2)N[C@@H]1c1ccccc1O	ZINC000248237526	496974391	/nfs/dbraw/zinc/97/43/91/496974391.db2.gz	NBKOOOMGVDBCEM-PZJWPPBQSA-N	1	0	367.493	3.328	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)c(F)c1	ZINC000004086803	204120945	/nfs/dbraw/zinc/12/09/45/204120945.db2.gz	CRIRLTHKHWVPCT-HXUWFJFHSA-N	1	0	373.473	3.313	50	10		FGCARO
CN(C)c1ccc([C@H](CNC(=O)c2cccc(F)c2)[NH+]2CCCC2)cc1	ZINC000005097982	204191696	/nfs/dbraw/zinc/19/16/96/204191696.db2.gz	WZHDHPJYKJULPF-FQEVSTJZSA-N	1	0	355.457	3.459	50	10		FGCARO
COCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccccc2O)CC1	ZINC000034683336	204978619	/nfs/dbraw/zinc/97/86/19/204978619.db2.gz	WARTUGWKBWPVKB-UHFFFAOYSA-N	1	0	368.477	3.345	50	10		FGCARO
COc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1O	ZINC000000785861	493772811	/nfs/dbraw/zinc/77/28/11/493772811.db2.gz	SHTFSFITJMXUCI-UHFFFAOYSA-N	1	0	368.477	3.271	50	10		FGCARO
COc1cccc([C@@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@H]2C)c1O	ZINC000053253851	494109955	/nfs/dbraw/zinc/10/99/55/494109955.db2.gz	LWFFAIDGWKLELR-KZBLUPIWSA-N	1	0	371.433	3.342	50	10		FGCARO
CCCN(Cc1ccccc1O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1	ZINC000078974937	494386625	/nfs/dbraw/zinc/38/66/25/494386625.db2.gz	NWXVEDDUTYEWSK-UHFFFAOYSA-N	1	0	351.410	3.417	50	10		FGCARO
COc1ccc(O)c([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c1	ZINC000097113252	495024497	/nfs/dbraw/zinc/02/44/97/495024497.db2.gz	ULOXLYIKZQFKHV-AWEZNQCLSA-N	1	0	372.440	3.495	50	10		FGCARO
COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000003912313	204115218	/nfs/dbraw/zinc/11/52/18/204115218.db2.gz	XCAGNOAFRKBFNG-IBGZPJMESA-N	1	0	359.446	3.005	50	10		FGCARO
C[C@H](Sc1ccccc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000065362187	205337986	/nfs/dbraw/zinc/33/79/86/205337986.db2.gz	DELJYFPVVAHZBZ-KRWDZBQOSA-N	1	0	369.534	3.235	50	10		FGCARO
CC(=O)Nc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1	ZINC000048745541	136123772	/nfs/dbraw/zinc/12/37/72/136123772.db2.gz	LUIIUJRGTBIQBG-UHFFFAOYSA-N	1	0	355.507	3.488	50	10		FGCARO
FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccncc1	ZINC000069714849	494000318	/nfs/dbraw/zinc/00/03/18/494000318.db2.gz	AOHHLAYKTXJJNO-UHFFFAOYSA-N	1	0	351.372	3.227	50	10		FGCARO
CCNc1cc(C)c(O)c2c1C(=O)C1=C(C2=O)C(=O)C(C)CC1[NH2+]CC	ZINC000100643762	209216580	/nfs/dbraw/zinc/21/65/80/209216580.db2.gz	INWFXCDEOOCMHA-UKRRQHHQSA-N	1	0	356.422	3.083	50	10		FGCARO
Cc1ccccc1N1CCN([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)CC1	ZINC000023373020	136152680	/nfs/dbraw/zinc/15/26/80/136152680.db2.gz	HRJFUTJVBHPAMT-OAQYLSRUSA-N	1	0	365.521	3.487	50	10		FGCARO
Oc1ccccc1C[NH+]1CCN(C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000019361837	494443661	/nfs/dbraw/zinc/44/36/61/494443661.db2.gz	JVFRFFOOSNRDIS-UHFFFAOYSA-N	1	0	374.484	3.403	50	10		FGCARO
CC[NH+](CC)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004837372	207052635	/nfs/dbraw/zinc/05/26/35/207052635.db2.gz	GYKCOAYJKHCBQC-UHFFFAOYSA-N	1	0	350.418	3.132	50	10		FGCARO
CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccccc1O	ZINC000010433985	207300881	/nfs/dbraw/zinc/30/08/81/207300881.db2.gz	SIIUYAVYSWCVCY-INIZCTEOSA-N	1	0	357.479	3.473	50	10		FGCARO
FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1cccnc1	ZINC000069714836	136150086	/nfs/dbraw/zinc/15/00/86/136150086.db2.gz	QZLPBTWFIVERMB-UHFFFAOYSA-N	1	0	351.372	3.227	50	10		FGCARO
CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)cc1	ZINC000002965975	493827168	/nfs/dbraw/zinc/82/71/68/493827168.db2.gz	BIUHXHVHWYWBSV-HXUWFJFHSA-N	1	0	355.483	3.256	50	10		FGCARO
C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccccc3Cl)cc2)CC1	ZINC000065362617	494191377	/nfs/dbraw/zinc/19/13/77/494191377.db2.gz	RGCYMAYWRKYJKP-UHFFFAOYSA-N	1	0	371.912	3.341	50	10		FGCARO
CC(C)CC[N@@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@@H]1CCO	ZINC000020999817	494485005	/nfs/dbraw/zinc/48/50/05/494485005.db2.gz	YRGUBSJWATYTKY-IBGZPJMESA-N	1	0	356.510	3.460	50	10		FGCARO
CCOc1ccccc1N1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1	ZINC000089272013	521518295	/nfs/dbraw/zinc/51/82/95/521518295.db2.gz	JFJKHXXAUYYVLX-UHFFFAOYSA-N	1	0	356.466	3.430	50	10		FGCARO
COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000022418316	494523361	/nfs/dbraw/zinc/52/33/61/494523361.db2.gz	SNIORTDKQCBWOO-SFHVURJKSA-N	1	0	356.470	3.186	50	10		FGCARO
NC(=S)N=N/C=C1\SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1	ZINC000334158687	497883516	/nfs/dbraw/zinc/88/35/16/497883516.db2.gz	NUTXIYXEXKPYAZ-NPBDBCQQSA-N	1	0	356.436	3.059	50	10		FGCARO
COc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)c1O	ZINC000009833795	207286673	/nfs/dbraw/zinc/28/66/73/207286673.db2.gz	NWCPLGAMKTUASC-UHFFFAOYSA-N	1	0	368.477	3.238	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21	ZINC000008963281	263358057	/nfs/dbraw/zinc/35/80/57/263358057.db2.gz	RRTUVOHKTAGDHQ-OAQYLSRUSA-N	1	0	367.468	3.385	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3ccc(C)cc3)=C3SCCCN32)c(F)c1	ZINC000004086731	493864378	/nfs/dbraw/zinc/86/43/78/493864378.db2.gz	SZUDVUDIFWVKFO-HXUWFJFHSA-N	1	0	373.473	3.313	50	10		FGCARO
CCOc1ccc(C[NH2+]C[C@@H](C)Oc2cccnc2)cc1COC(C)=O	ZINC000055402552	494338588	/nfs/dbraw/zinc/33/85/88/494338588.db2.gz	MFAILNYKKIDWRI-OAHLLOKOSA-N	1	0	358.438	3.101	50	10		FGCARO
CC(C)CC[N@@H+]1CCN(Cc2c(O)ccc3ccccc32)C[C@H]1CCO	ZINC000104408534	495282541	/nfs/dbraw/zinc/28/25/41/495282541.db2.gz	YRGUBSJWATYTKY-LJQANCHMSA-N	1	0	356.510	3.460	50	10		FGCARO
COc1ccc(N2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1	ZINC000000757042	536692075	/nfs/dbraw/zinc/69/20/75/536692075.db2.gz	FSXZENNDQWXEEB-UHFFFAOYSA-N	1	0	365.521	3.482	50	10		FGCARO
CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097773	207079763	/nfs/dbraw/zinc/07/97/63/207079763.db2.gz	TYDQLZPMNOQVEK-HXUWFJFHSA-N	1	0	355.482	3.184	50	10		FGCARO
C[C@@H](Cc1ccccn1)[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000065419998	136136338	/nfs/dbraw/zinc/13/63/38/136136338.db2.gz	VFUPUVFVNFYQLE-INIZCTEOSA-N	1	0	353.466	3.342	50	10		FGCARO
CCNc1cc(C)c(O)c2c1C(=O)C1=C(C2=O)C(=O)C(C)CC1[NH2+]CC	ZINC000068601201	493847037	/nfs/dbraw/zinc/84/70/37/493847037.db2.gz	INWFXCDEOOCMHA-HIFRSBDPSA-N	1	0	356.422	3.083	50	10		FGCARO
Oc1cc2c(cc1C[NH+]1CCN(CCOc3ccccc3)CC1)CCC2	ZINC000022794538	494536198	/nfs/dbraw/zinc/53/61/98/494536198.db2.gz	SKBXXXWIFCVGRQ-UHFFFAOYSA-N	1	0	352.478	3.078	50	10		FGCARO
CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1	ZINC000248616560	497057817	/nfs/dbraw/zinc/05/78/17/497057817.db2.gz	LYKVYTSXMGUOOH-UHOSZYNNSA-N	1	0	359.514	3.488	50	10		FGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2cccc([N+](=O)[O-])c2)C1	ZINC000002966083	206949322	/nfs/dbraw/zinc/94/93/22/206949322.db2.gz	SWGPRULRWZVVBP-LJQANCHMSA-N	1	0	370.454	3.074	50	10		FGCARO
C[C@H](Cc1ccccn1)[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000065420001	136136342	/nfs/dbraw/zinc/13/63/42/136136342.db2.gz	VFUPUVFVNFYQLE-MRXNPFEDSA-N	1	0	353.466	3.342	50	10		FGCARO
COc1ccc(N2CCC[N@H+](CCOc3ccccc3OC)CC2)cc1	ZINC000052467116	494028155	/nfs/dbraw/zinc/02/81/55/494028155.db2.gz	ZDEXUVARCLIYTC-UHFFFAOYSA-N	1	0	356.466	3.295	50	10		FGCARO
CN1CCc2cc([C@H](CNC(=O)c3ccco3)[NH+]3CCCCC3)ccc21	ZINC000011027652	494168827	/nfs/dbraw/zinc/16/88/27/494168827.db2.gz	ZXEWCESVOISADS-IBGZPJMESA-N	1	0	353.466	3.229	50	10		FGCARO
C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)CC1	ZINC000072437194	536421244	/nfs/dbraw/zinc/42/12/44/536421244.db2.gz	FQRORCUTLMIJNK-UHFFFAOYSA-N	1	0	361.848	3.161	50	10		FGCARO
COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+]3CCCC[C@H]3CO)c2)c1	ZINC000012245107	207351233	/nfs/dbraw/zinc/35/12/33/207351233.db2.gz	WNXUJOUJEPVCOP-KRWDZBQOSA-N	1	0	357.450	3.423	50	10		FGCARO
COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005097894	493913300	/nfs/dbraw/zinc/91/33/00/493913300.db2.gz	VYGCBDAXGBVVFR-NRFANRHFSA-N	1	0	367.493	3.328	50	10		FGCARO
CCCC[N@H+](C)C[C@H]1C(=O)N(Cc2ccccc2)N[C@@H]1c1ccccc1O	ZINC000248237527	496975035	/nfs/dbraw/zinc/97/50/35/496975035.db2.gz	NBKOOOMGVDBCEM-TZIWHRDSSA-N	1	0	367.493	3.328	50	10		FGCARO
CCOc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1	ZINC000054179651	535459367	/nfs/dbraw/zinc/45/93/67/535459367.db2.gz	TXTSNJREUSLNER-IBGZPJMESA-N	1	0	367.493	3.077	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1O	ZINC000023360926	211384917	/nfs/dbraw/zinc/38/49/17/211384917.db2.gz	XDDGCTMWRQZZFA-FQEVSTJZSA-N	1	0	352.478	3.424	50	10		FGCARO
O=C1CN(c2ccc(C[N@@H+]3CCCCC[C@@H]3c3ccncc3)cc2)CCN1	ZINC000095982228	132216421	/nfs/dbraw/zinc/21/64/21/132216421.db2.gz	KOYZJGJXPMATNK-OAQYLSRUSA-N	1	0	364.493	3.135	50	10		FGCARO
COCCn1c(-c2ccc3c(c2)OCO3)c[nH+]c1NCc1ccccc1O	ZINC000004679090	493886902	/nfs/dbraw/zinc/88/69/02/493886902.db2.gz	MCSQQZUQQTXVHZ-UHFFFAOYSA-N	1	0	367.405	3.243	50	10		FGCARO
CNC(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)CC1	ZINC000670457635	571355185	/nfs/dbraw/zinc/35/51/85/571355185.db2.gz	NZOFMEMVKFCWSA-UAPYVXQJSA-N	1	0	369.553	3.286	50	10		FGCARO
Cc1sc2[nH]c(CC[NH2+]Cc3ccc4c(c3)CCO4)nc(=O)c2c1C	ZINC000952985144	762539635	/nfs/dbraw/zinc/53/96/35/762539635.db2.gz	CLMDLZGVGYNQRY-UHFFFAOYSA-N	1	0	355.463	3.281	50	10		FGCARO
C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000095419688	132211106	/nfs/dbraw/zinc/21/11/06/132211106.db2.gz	XDLWEETWFXUXTL-IERDGZPVSA-N	1	0	352.478	3.302	50	10		FGCARO
COc1cccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1OC	ZINC000003053349	493829956	/nfs/dbraw/zinc/82/99/56/493829956.db2.gz	ZJOONADJXGMGJZ-LJQANCHMSA-N	1	0	357.406	3.323	50	10		FGCARO
COc1cccc(C[NH+]2CCC(C(=O)N(C)C3CCCCC3)CC2)c1O	ZINC000004679569	493886884	/nfs/dbraw/zinc/88/68/84/493886884.db2.gz	CFGHXBUXCPCXGV-UHFFFAOYSA-N	1	0	360.498	3.404	50	10		FGCARO
Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(-n2ccnc2)cc1	ZINC000072433754	494174162	/nfs/dbraw/zinc/17/41/62/494174162.db2.gz	OTYXHESDYNMRDP-QFIPXVFZSA-N	1	0	371.444	3.449	50	10		FGCARO
C[C@H]1CN(C(C)(C)C[NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1	ZINC000058407517	212008948	/nfs/dbraw/zinc/00/89/48/212008948.db2.gz	QNMSDMGIBHSTRA-STQMWFEESA-N	1	0	371.319	3.132	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1	ZINC000003912328	210501400	/nfs/dbraw/zinc/50/14/00/210501400.db2.gz	XPOMTOZRMZOHMO-OAQYLSRUSA-N	1	0	369.510	3.483	50	10		FGCARO
O[C@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1CCc1ccccc1	ZINC000003246609	210459531	/nfs/dbraw/zinc/45/95/31/210459531.db2.gz	HTKBHXYOLKVIPQ-FQEVSTJZSA-N	1	0	357.474	3.035	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1	ZINC000002966062	210441339	/nfs/dbraw/zinc/44/13/39/210441339.db2.gz	UWMBOGBPOKQPEL-HXUWFJFHSA-N	1	0	355.483	3.174	50	10		FGCARO
CCOc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O	ZINC000000778802	210268901	/nfs/dbraw/zinc/26/89/01/210268901.db2.gz	SVLIFNGCCLDBGG-UHFFFAOYSA-N	1	0	360.498	3.261	50	10		FGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000002966123	493826731	/nfs/dbraw/zinc/82/67/31/493826731.db2.gz	XSBLWZXPWBYVAH-LJQANCHMSA-N	1	0	370.454	3.074	50	10		FGCARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC)c2O)N3)C1	ZINC000004556323	493882570	/nfs/dbraw/zinc/88/25/70/493882570.db2.gz	LWUZERAPMGQMGU-INIZCTEOSA-N	1	0	359.451	3.269	50	10		FGCARO
Nc1ccc(CC(=O)NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1	ZINC000670458000	571355371	/nfs/dbraw/zinc/35/53/71/571355371.db2.gz	BJOBXJVVKNPYSO-OAQYLSRUSA-N	1	0	351.494	3.372	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1O	ZINC000023360924	211384946	/nfs/dbraw/zinc/38/49/46/211384946.db2.gz	XDDGCTMWRQZZFA-HXUWFJFHSA-N	1	0	352.478	3.424	50	10		FGCARO
COc1ccc([C@@]2(O)[C@@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000002921928	210437256	/nfs/dbraw/zinc/43/72/56/210437256.db2.gz	JKEFHHHDDIZNMW-VLIAUNLRSA-N	1	0	373.473	3.394	50	10		FGCARO
Cc1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000005097700	493913644	/nfs/dbraw/zinc/91/36/44/493913644.db2.gz	XZWGDCILJXJBSG-LJQANCHMSA-N	1	0	370.453	3.002	50	10		FGCARO
CC(=O)Nc1ccc(-n2ccnc2-c2ccc(O)c(C[NH+](C)C)c2)cc1	ZINC000082161324	493981078	/nfs/dbraw/zinc/98/10/78/493981078.db2.gz	TVSOGGYYZRUHIW-UHFFFAOYSA-N	1	0	350.422	3.265	50	10		FGCARO
O=C(Nc1ccnn1C1CC[NH+](Cc2cc(Cl)ccc2O)CC1)C1CC1	ZINC000011844539	494193141	/nfs/dbraw/zinc/19/31/41/494193141.db2.gz	YCBINTNOEGBYFN-UHFFFAOYSA-N	1	0	374.872	3.428	50	10		FGCARO
COc1cc2c(cc1OC)[C@@H](c1cc(Br)ccc1O)[NH2+]CC2	ZINC000022204801	210236638	/nfs/dbraw/zinc/23/66/38/210236638.db2.gz	IACLQLCVZLFYQT-KRWDZBQOSA-N	1	0	364.239	3.407	50	10		FGCARO
OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1C1CCCCC1	ZINC000020994692	211301892	/nfs/dbraw/zinc/30/18/92/211301892.db2.gz	JYWQRGRLPJNWIX-GOSISDBHSA-N	1	0	352.906	3.247	50	10		FGCARO
c1ccc2[nH]c(CC[NH2+]C3CCN(c4ccc5c(c4)OCO5)CC3)nc2c1	ZINC000067855351	221295725	/nfs/dbraw/zinc/29/57/25/221295725.db2.gz	WZNANMLARIXKKU-UHFFFAOYSA-N	1	0	364.449	3.093	50	10		FGCARO
C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000095419690	132211092	/nfs/dbraw/zinc/21/10/92/132211092.db2.gz	XDLWEETWFXUXTL-IIBYNOLFSA-N	1	0	352.478	3.302	50	10		FGCARO
COc1ccc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cc1O	ZINC000048748940	136123664	/nfs/dbraw/zinc/12/36/64/136123664.db2.gz	LMLHBFFRSXGFKA-GJZGRUSLSA-N	1	0	374.456	3.443	50	10		FGCARO
COc1ccc(N2CC[N@H+](Cc3ccc(N(C)C)nc3)CC2(C)C)cc1	ZINC000072166090	136143502	/nfs/dbraw/zinc/14/35/02/136143502.db2.gz	VUGMSKBMCQYVQP-UHFFFAOYSA-N	1	0	354.498	3.257	50	10		FGCARO
CN(C)c1cc(NCC[NH+](C)C)c2c3c1noc3-c1ccccc1C2=O	ZINC000006737858	493977026	/nfs/dbraw/zinc/97/70/26/493977026.db2.gz	WAVPMSOMYYNGJC-UHFFFAOYSA-N	1	0	350.422	3.079	50	10		FGCARO
COc1ccc(OC)c(C[NH2+]Cc2cc(Br)ccc2O)c1	ZINC000040477065	494143812	/nfs/dbraw/zinc/14/38/12/494143812.db2.gz	HLQPJKUANXIHMB-UHFFFAOYSA-N	1	0	352.228	3.462	50	10		FGCARO
CN1CCCc2cc([C@H](CNC(=O)c3ccco3)[NH+]3CCCC3)ccc21	ZINC000013008240	494276186	/nfs/dbraw/zinc/27/61/86/494276186.db2.gz	OVBFDMAJXNRKBI-IBGZPJMESA-N	1	0	353.466	3.229	50	10		FGCARO
CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2	ZINC000015830053	211144292	/nfs/dbraw/zinc/14/42/92/211144292.db2.gz	MSJZEKXPWLTOGQ-GOSISDBHSA-N	1	0	365.477	3.434	50	10		FGCARO
O[C@@]1(c2ccc(F)cc2)CN2CCCSC2=[N+]1CCc1ccccc1	ZINC000003246606	210459736	/nfs/dbraw/zinc/45/97/36/210459736.db2.gz	HTKBHXYOLKVIPQ-HXUWFJFHSA-N	1	0	357.474	3.035	50	10		FGCARO
COc1ccc([C@@]2(O)[C@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000002921927	210437073	/nfs/dbraw/zinc/43/70/73/210437073.db2.gz	JKEFHHHDDIZNMW-XOBRGWDASA-N	1	0	373.473	3.394	50	10		FGCARO
COc1ccc(N2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@H](C)C2)cc1	ZINC000072125370	136142102	/nfs/dbraw/zinc/14/21/02/136142102.db2.gz	AKGUTZOSYGOTPT-OAHLLOKOSA-N	1	0	352.438	3.389	50	10		FGCARO
Cc1ccccc1N1CCN([C@H]2CCC[N@H+](Cc3ccccc3O)C2)CC1	ZINC000023373023	136152762	/nfs/dbraw/zinc/15/27/62/136152762.db2.gz	HRJFUTJVBHPAMT-NRFANRHFSA-N	1	0	365.521	3.487	50	10		FGCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(C(=O)C(C)(C)C)CC3)c2c1	ZINC000075582640	494799029	/nfs/dbraw/zinc/79/90/29/494799029.db2.gz	DYMLEMUJSONXJD-UHFFFAOYSA-N	1	0	356.466	3.244	50	10		FGCARO
OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1	ZINC000095499210	494980455	/nfs/dbraw/zinc/98/04/55/494980455.db2.gz	DQKZFFAHBFWPML-IBGZPJMESA-N	1	0	360.885	3.114	50	10		FGCARO
CCOc1ccc(C[NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)cc1CO	ZINC000020255893	521007072	/nfs/dbraw/zinc/00/70/72/521007072.db2.gz	QXLGDIDSBCPNHV-HXUWFJFHSA-N	1	0	372.484	3.471	50	10		FGCARO
Oc1ccc(-c2ncccn2)cc1CN1CC[NH+](C2CCCCC2)CC1	ZINC000020999115	211303993	/nfs/dbraw/zinc/30/39/93/211303993.db2.gz	LMHSBCFKFHXGBU-UHFFFAOYSA-N	1	0	352.482	3.300	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)Cc3cccs3)[NH+]3CCCC3)ccc21	ZINC000008963275	263357933	/nfs/dbraw/zinc/35/79/33/263357933.db2.gz	FLKTWSHWJFXTGN-HXUWFJFHSA-N	1	0	369.534	3.236	50	10		FGCARO
Cc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000004086726	493864276	/nfs/dbraw/zinc/86/42/76/493864276.db2.gz	VYXBNDXEFANTNC-LJQANCHMSA-N	1	0	370.454	3.074	50	10		FGCARO
CN(C)c1ccc([C@@H](CNC(=O)C2CC2)[N@@H+]2CCc3ccccc3C2)cc1	ZINC000035349251	494074967	/nfs/dbraw/zinc/07/49/67/494074967.db2.gz	ZPCMXGZVJYXJFV-JOCHJYFZSA-N	1	0	363.505	3.378	50	10		FGCARO
C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2	ZINC000064775571	494148857	/nfs/dbraw/zinc/14/88/57/494148857.db2.gz	NPHQUWAQGKHKPK-KRWDZBQOSA-N	1	0	351.450	3.043	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)cc1	ZINC000003912334	219532120	/nfs/dbraw/zinc/53/21/20/219532120.db2.gz	RKWPMRBXXBSFPZ-OAQYLSRUSA-N	1	0	369.510	3.483	50	10		FGCARO
CCOc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O	ZINC000005045757	219643638	/nfs/dbraw/zinc/64/36/38/219643638.db2.gz	POKKKCMFBUUUDQ-MRXNPFEDSA-N	1	0	360.498	3.261	50	10		FGCARO
COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000022418314	220385636	/nfs/dbraw/zinc/38/56/36/220385636.db2.gz	SNIORTDKQCBWOO-GOSISDBHSA-N	1	0	356.470	3.186	50	10		FGCARO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3cccc(Cl)c3)cc2)CC1	ZINC000049740652	493882581	/nfs/dbraw/zinc/88/25/81/493882581.db2.gz	WCXKYRROYPAGES-UHFFFAOYSA-N	1	0	358.873	3.414	50	10		FGCARO
COc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1O	ZINC000004725585	493890105	/nfs/dbraw/zinc/89/01/05/493890105.db2.gz	XKPUABBFALKOCC-MRXNPFEDSA-N	1	0	368.477	3.490	50	10		FGCARO
CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097678	493913537	/nfs/dbraw/zinc/91/35/37/493913537.db2.gz	PUQMEEAIQNJEHR-LJQANCHMSA-N	1	0	355.482	3.184	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)NC(C)(C)C)[NH+]3CCCCC3)ccc21	ZINC000035597224	494080301	/nfs/dbraw/zinc/08/03/01/494080301.db2.gz	FXBRZMFMSUAXIZ-LJQANCHMSA-N	1	0	358.530	3.304	50	10		FGCARO
OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1Cc1ccccc1	ZINC000023153491	494553518	/nfs/dbraw/zinc/55/35/18/494553518.db2.gz	DQKZFFAHBFWPML-LJQANCHMSA-N	1	0	360.885	3.114	50	10		FGCARO
COc1ccc2ccc(O)c(C[NH+]3CCC(C(=O)N4CCCC4)CC3)c2c1	ZINC000025050002	494693306	/nfs/dbraw/zinc/69/33/06/494693306.db2.gz	BVOOWDQZBGYGQF-UHFFFAOYSA-N	1	0	368.477	3.388	50	10		FGCARO
NC(=O)[C@H]1CCCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21	ZINC000014075680	220103925	/nfs/dbraw/zinc/10/39/25/220103925.db2.gz	MVAJTIJLBTWYGB-OAHLLOKOSA-N	1	0	363.255	3.148	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@@H]2c2nc(-c3ccccn3)no2)c1O	ZINC000065501951	221226929	/nfs/dbraw/zinc/22/69/29/221226929.db2.gz	INFDFFVKQQNKIW-OAHLLOKOSA-N	1	0	352.394	3.183	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)cc1	ZINC000002966060	493827279	/nfs/dbraw/zinc/82/72/79/493827279.db2.gz	UWMBOGBPOKQPEL-FQEVSTJZSA-N	1	0	355.483	3.174	50	10		FGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccccc43)CC2)cc1	ZINC000020358268	524426111	/nfs/dbraw/zinc/42/61/11/524426111.db2.gz	FQWQGJWISRBVCO-OAQYLSRUSA-N	1	0	351.450	3.032	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3C)=C3SCCCN32)cc1	ZINC000003912329	219532249	/nfs/dbraw/zinc/53/22/49/219532249.db2.gz	XPOMTOZRMZOHMO-NRFANRHFSA-N	1	0	369.510	3.483	50	10		FGCARO
CN1CC[NH+]([C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1	ZINC000019680914	220285375	/nfs/dbraw/zinc/28/53/75/220285375.db2.gz	MIGHUSJWTOALIP-HXUWFJFHSA-N	1	0	351.425	3.416	50	10		FGCARO
COc1cccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1OC	ZINC000003053346	493829921	/nfs/dbraw/zinc/82/99/21/493829921.db2.gz	ZJOONADJXGMGJZ-IBGZPJMESA-N	1	0	357.406	3.323	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3cc(C)ccc3C)=C3SCCCN32)cc1	ZINC000003912335	493859911	/nfs/dbraw/zinc/85/99/11/493859911.db2.gz	RKWPMRBXXBSFPZ-NRFANRHFSA-N	1	0	369.510	3.483	50	10		FGCARO
Cc1cc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000005097698	493913419	/nfs/dbraw/zinc/91/34/19/493913419.db2.gz	XZWGDCILJXJBSG-IBGZPJMESA-N	1	0	370.453	3.002	50	10		FGCARO
CCOc1cccc(C[NH2+]Cc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1	ZINC000054179653	535459860	/nfs/dbraw/zinc/45/98/60/535459860.db2.gz	TXTSNJREUSLNER-LJQANCHMSA-N	1	0	367.493	3.077	50	10		FGCARO
NC(=O)CCn1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc21	ZINC000055199936	221062025	/nfs/dbraw/zinc/06/20/25/221062025.db2.gz	WZNYWUAMBQJTOZ-UHFFFAOYSA-N	1	0	363.461	3.132	50	10		FGCARO
Oc1ccc(Br)cc1CN1CC[NH+](Cc2ccccc2)CC1	ZINC000019634654	220280793	/nfs/dbraw/zinc/28/07/93/220280793.db2.gz	ZXMWBZLEMBJXPN-UHFFFAOYSA-N	1	0	361.283	3.473	50	10		FGCARO
CCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349272	494074812	/nfs/dbraw/zinc/07/48/12/494074812.db2.gz	NXTDBTVMLXDOPB-OAQYLSRUSA-N	1	0	351.494	3.378	50	10		FGCARO
CCOc1ccccc1CN1CC[NH+](Cc2cc(OC)ccc2O)CC1	ZINC000019520184	220266965	/nfs/dbraw/zinc/26/69/65/220266965.db2.gz	OKYWOUGERACPKD-UHFFFAOYSA-N	1	0	356.466	3.117	50	10		FGCARO
CC(C)Cn1cncc1C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067560969	221259513	/nfs/dbraw/zinc/25/95/13/221259513.db2.gz	VUEWTJAPOGGNLH-UHFFFAOYSA-N	1	0	356.470	3.026	50	10		FGCARO
C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1c(O)ccc2ccncc21	ZINC000012561932	494242706	/nfs/dbraw/zinc/24/27/06/494242706.db2.gz	PLGKXTWBKUWEQE-UHFFFAOYSA-N	1	0	363.461	3.409	50	10		FGCARO
COc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(OC)c1	ZINC000042790525	132301036	/nfs/dbraw/zinc/30/10/36/132301036.db2.gz	UAVYMAJSBFZAQP-MRXNPFEDSA-N	1	0	356.466	3.391	50	10		FGCARO
COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cc1O	ZINC000048748941	136123678	/nfs/dbraw/zinc/12/36/78/136123678.db2.gz	LMLHBFFRSXGFKA-HUUCEWRRSA-N	1	0	374.456	3.443	50	10		FGCARO
COc1cc2c(cc1[C@H](c1cc3c(cc1O)OCO3)[NH+]1CCCC1)OCO2	ZINC000036646394	494094843	/nfs/dbraw/zinc/09/48/43/494094843.db2.gz	QATRSYQIZNVQMT-FQEVSTJZSA-N	1	0	371.389	3.043	50	10		FGCARO
CC(=O)NCC[NH2+]Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O	ZINC000299755196	526761988	/nfs/dbraw/zinc/76/19/88/526761988.db2.gz	BAYPCGRQPQRMML-UHFFFAOYSA-N	1	0	369.852	3.487	50	10		FGCARO
NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1	ZINC000054179462	136125103	/nfs/dbraw/zinc/12/51/03/136125103.db2.gz	FQDVIPZMQHQEJV-CQSZACIVSA-N	1	0	363.914	3.393	50	10		FGCARO
CCNc1cc(C)c(O)c2c1C(=O)C1=C(C2=O)C(=O)C(C)CC1[NH2+]CC	ZINC000100643763	222249334	/nfs/dbraw/zinc/24/93/34/222249334.db2.gz	INWFXCDEOOCMHA-ZFWWWQNUSA-N	1	0	356.422	3.083	50	10		FGCARO
CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc(F)cc3)C2)cc1	ZINC000002965965	493827307	/nfs/dbraw/zinc/82/73/07/493827307.db2.gz	MOXVFPNZOAESNM-FQEVSTJZSA-N	1	0	373.473	3.395	50	10		FGCARO
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCCC2)cc1	ZINC000005097969	493913481	/nfs/dbraw/zinc/91/34/81/493913481.db2.gz	SZUFMFIFKPTHAD-NRFANRHFSA-N	1	0	369.484	3.388	50	10		FGCARO
CCOc1ccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097728	493913669	/nfs/dbraw/zinc/91/36/69/493913669.db2.gz	IQOGZSCNHFNVMW-OAQYLSRUSA-N	1	0	369.509	3.113	50	10		FGCARO
COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(C)o4)C3)CC2)cc1	ZINC000019791248	524431406	/nfs/dbraw/zinc/43/14/06/524431406.db2.gz	DXBGZNCVNVHPER-HXUWFJFHSA-N	1	0	369.509	3.383	50	10		FGCARO
Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1N1CCN(C)CC1	ZINC000003179438	204081188	/nfs/dbraw/zinc/08/11/88/204081188.db2.gz	QJJIXHAEPDXQFV-UHFFFAOYSA-N	1	0	367.542	3.395	50	10		FGCARO
COc1cccc(O)c1C[N@@H+]1CCc2[nH]nc(-c3ccccc3F)c2C1	ZINC000067842498	205396086	/nfs/dbraw/zinc/39/60/86/205396086.db2.gz	QGBUXJIFJLPFCI-UHFFFAOYSA-N	1	0	353.397	3.488	50	10		FGCARO
Cc1noc(C)c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F	ZINC000237623504	132248590	/nfs/dbraw/zinc/24/85/90/132248590.db2.gz	HZDIFURUBNYDTA-UHFFFAOYSA-N	1	0	369.387	3.437	50	10		FGCARO
NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1	ZINC000054179460	136125117	/nfs/dbraw/zinc/12/51/17/136125117.db2.gz	FQDVIPZMQHQEJV-AWEZNQCLSA-N	1	0	363.914	3.393	50	10		FGCARO
CCOc1ccc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@H]2C)cc1CO	ZINC000244773738	520974145	/nfs/dbraw/zinc/97/41/45/520974145.db2.gz	PFOPRRVORIZMSL-QGZVFWFLSA-N	1	0	370.493	3.297	50	10		FGCARO
COc1ccc(N2C[C@@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1	ZINC000002965931	204071214	/nfs/dbraw/zinc/07/12/14/204071214.db2.gz	HHWOBWYXWVKGTK-HXUWFJFHSA-N	1	0	355.483	3.174	50	10		FGCARO
CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)[NH+](C)C)cc1	ZINC000005097686	204191879	/nfs/dbraw/zinc/19/18/79/204191879.db2.gz	MVVDQXUWWHWDRJ-IBGZPJMESA-N	1	0	359.901	3.368	50	10		FGCARO
CCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(O)c(O)c1	ZINC000009015690	204351274	/nfs/dbraw/zinc/35/12/74/204351274.db2.gz	COVNNLLUWAZWMS-SFHVURJKSA-N	1	0	365.389	3.278	50	10		FGCARO
CN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1	ZINC000184240871	206317417	/nfs/dbraw/zinc/31/74/17/206317417.db2.gz	LYKVYTSXMGUOOH-WDSOQIARSA-N	1	0	359.514	3.488	50	10		FGCARO
COCCOC(=O)c1c(C)oc2ccc(O)c(C[NH+]3CCC(C)CC3)c21	ZINC000002417372	493808343	/nfs/dbraw/zinc/80/83/43/493808343.db2.gz	QIJSLQYSPDROLF-UHFFFAOYSA-N	1	0	361.438	3.482	50	10		FGCARO
CCCC[N@H+](C)C[C@@H]1C(=O)N(Cc2ccccc2)N[C@H]1c1ccccc1O	ZINC000048547492	493836776	/nfs/dbraw/zinc/83/67/76/493836776.db2.gz	NBKOOOMGVDBCEM-FPOVZHCZSA-N	1	0	367.493	3.328	50	10		FGCARO
O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1	ZINC000069897243	494025834	/nfs/dbraw/zinc/02/58/34/494025834.db2.gz	YQMHSVMXHCEVOE-NRFANRHFSA-N	1	0	363.505	3.393	50	10		FGCARO
Cc1cc(C)c(O)c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000089568880	494324922	/nfs/dbraw/zinc/32/49/22/494324922.db2.gz	NQOIPLMFMQWAGE-UHFFFAOYSA-N	1	0	354.450	3.056	50	10		FGCARO
CCOc1ccc(CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1	ZINC000019533316	494447487	/nfs/dbraw/zinc/44/74/87/494447487.db2.gz	XADYZQGTLGAUNC-UHFFFAOYSA-N	1	0	356.466	3.117	50	10		FGCARO
O=C(C[NH2+]C1CCCCC1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000075278367	494717120	/nfs/dbraw/zinc/71/71/20/494717120.db2.gz	JOXDPLVNGPKTHJ-UHFFFAOYSA-N	1	0	362.429	3.323	50	10		FGCARO
O=C(NCC(F)(F)F)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000026688968	494834449	/nfs/dbraw/zinc/83/44/49/494834449.db2.gz	FQCPVOLCVCRFLU-UHFFFAOYSA-N	1	0	366.383	3.436	50	10		FGCARO
C[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(O)ccc1O	ZINC000095940802	494990730	/nfs/dbraw/zinc/99/07/30/494990730.db2.gz	RPHPLVRHTVANLB-SNVBAGLBSA-N	1	0	365.227	3.150	50	10		FGCARO
COc1cccc([C@@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@H](C)C(=O)[C@H]2C)c1O	ZINC000004180559	204125810	/nfs/dbraw/zinc/12/58/10/204125810.db2.gz	LWFFAIDGWKLELR-GNTOHDJUSA-N	1	0	371.433	3.342	50	10		FGCARO
CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+]2CCCC2)cc1	ZINC000005097967	204191214	/nfs/dbraw/zinc/19/12/14/204191214.db2.gz	SZUFMFIFKPTHAD-OAQYLSRUSA-N	1	0	369.484	3.388	50	10		FGCARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2O)N3)C1	ZINC000006358285	204246194	/nfs/dbraw/zinc/24/61/94/204246194.db2.gz	NFHHWKGVOMYELI-MRXNPFEDSA-N	1	0	359.451	3.355	50	10		FGCARO
CC[NH+](CC)CCNC(=O)c1ccc(NCc2cccc(OC)c2O)cc1	ZINC000044836334	205111849	/nfs/dbraw/zinc/11/18/49/205111849.db2.gz	ZXZQRFLMYBCITH-UHFFFAOYSA-N	1	0	371.481	3.085	50	10		FGCARO
C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccc(Cl)cc3)cc2)CC1	ZINC000049740651	493882814	/nfs/dbraw/zinc/88/28/14/493882814.db2.gz	CUNZUXLYRPNPHZ-UHFFFAOYSA-N	1	0	358.873	3.414	50	10		FGCARO
Cc1ccc2c(c1)[C@H]([NH+]1CCN(CCO)CC1)Cc1ccc(F)cc1S2	ZINC000071404353	494091803	/nfs/dbraw/zinc/09/18/03/494091803.db2.gz	NGEOXZLKAAJWOG-LJQANCHMSA-N	1	0	372.509	3.492	50	10		FGCARO
CCCC1=NN(c2nc3ccccc3s2)C(=O)C1=CNCCC[NH+](C)C	ZINC000100163525	495063920	/nfs/dbraw/zinc/06/39/20/495063920.db2.gz	CWODUCOQOJAWMK-BUHFOSPRSA-N	1	0	371.510	3.224	50	10		FGCARO
CC[NH+](CC)CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000001815489	204021428	/nfs/dbraw/zinc/02/14/28/204021428.db2.gz	URJZNQNSMSQOSX-QINSGFPZSA-N	1	0	350.509	3.325	50	10		FGCARO
CCOc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)cc1	ZINC000002965972	204071307	/nfs/dbraw/zinc/07/13/07/204071307.db2.gz	BIUHXHVHWYWBSV-FQEVSTJZSA-N	1	0	355.483	3.256	50	10		FGCARO
CC1(C)CC([NH2+]Cc2c([O-])ccc3c4c(c(=O)oc32)CCC4)CC(C)(C)[NH2+]1	ZINC000006719920	204262854	/nfs/dbraw/zinc/26/28/54/204262854.db2.gz	QEARCFHSNVGYBX-UHFFFAOYSA-N	1	0	370.493	3.386	50	10		FGCARO
C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000095419689	132211105	/nfs/dbraw/zinc/21/11/05/132211105.db2.gz	XDLWEETWFXUXTL-HRAATJIYSA-N	1	0	352.478	3.302	50	10		FGCARO
COc1ccc(N2C[C@](O)(c3ccc(C)cc3)[N+]3=C2SCCC3)cc1	ZINC000002965928	204071894	/nfs/dbraw/zinc/07/18/94/204071894.db2.gz	HHWOBWYXWVKGTK-FQEVSTJZSA-N	1	0	355.483	3.174	50	10		FGCARO
COc1ccc([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c(OC)c1	ZINC000003053340	204076741	/nfs/dbraw/zinc/07/67/41/204076741.db2.gz	SIIGPJRXGNGZQA-FQEVSTJZSA-N	1	0	357.406	3.323	50	10		FGCARO
CN1CCc2cc([C@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21	ZINC000008963290	206219012	/nfs/dbraw/zinc/21/90/12/206219012.db2.gz	IXNYQDVOJPOQGU-NRFANRHFSA-N	1	0	367.468	3.385	50	10		FGCARO
C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(N2CCC(O)CC2)cc1	ZINC000095419687	132211077	/nfs/dbraw/zinc/21/10/77/132211077.db2.gz	XDLWEETWFXUXTL-KKSFZXQISA-N	1	0	352.478	3.302	50	10		FGCARO
c1ccc(CN2CCC([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)cc1	ZINC000058165468	132376421	/nfs/dbraw/zinc/37/64/21/132376421.db2.gz	NASPEYXOEQSEKI-UHFFFAOYSA-N	1	0	365.521	3.277	50	10		FGCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC3(C1)CCCCCC3)cc2=O	ZINC000079024448	494393762	/nfs/dbraw/zinc/39/37/62/494393762.db2.gz	CQORWGHWWNPHSN-UHFFFAOYSA-N	1	0	372.469	3.158	50	10		FGCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)c1	ZINC000020601846	494476862	/nfs/dbraw/zinc/47/68/62/494476862.db2.gz	PENRQOGHLCRUNW-FQEVSTJZSA-N	1	0	352.478	3.424	50	10		FGCARO
Oc1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1	ZINC000020996841	494485247	/nfs/dbraw/zinc/48/52/47/494485247.db2.gz	PBKOEISOYGMITL-LJQANCHMSA-N	1	0	369.484	3.318	50	10		FGCARO
Oc1ccc2oc3c(c2c1C[NH+]1CCN(c2ncccn2)CC1)CCCC3	ZINC000047272441	136122795	/nfs/dbraw/zinc/12/27/95/136122795.db2.gz	ZJCZNDYWNOEOOY-UHFFFAOYSA-N	1	0	364.449	3.129	50	10		FGCARO
CCCC[N@H+](C)C[C@H]1C(=O)N(Cc2ccccc2)N[C@H]1c1ccccc1O	ZINC000048547490	493836378	/nfs/dbraw/zinc/83/63/78/493836378.db2.gz	NBKOOOMGVDBCEM-CTNGQTDRSA-N	1	0	367.493	3.328	50	10		FGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc([N+](=O)[O-])cc2)C1	ZINC000022405516	494522779	/nfs/dbraw/zinc/52/27/79/494522779.db2.gz	FZTNXJLJNFJTLW-LJQANCHMSA-N	1	0	370.454	3.074	50	10		FGCARO
C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1ccccc1O)N2	ZINC000064775572	205304486	/nfs/dbraw/zinc/30/44/86/205304486.db2.gz	NPHQUWAQGKHKPK-QGZVFWFLSA-N	1	0	351.450	3.043	50	10		FGCARO
O=C1CN(c2ccc(C[N@@H+]3CCCCC[C@H]3c3ccncc3)cc2)CCN1	ZINC000095982229	132216382	/nfs/dbraw/zinc/21/63/82/132216382.db2.gz	KOYZJGJXPMATNK-NRFANRHFSA-N	1	0	364.493	3.135	50	10		FGCARO
COc1ccc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)c(OC)c1	ZINC000042790521	132301181	/nfs/dbraw/zinc/30/11/81/132301181.db2.gz	UAVYMAJSBFZAQP-INIZCTEOSA-N	1	0	356.466	3.391	50	10		FGCARO
CC(=O)c1ccc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)cc1	ZINC000012557825	494242196	/nfs/dbraw/zinc/24/21/96/494242196.db2.gz	OYVDYICNGUZYTE-UHFFFAOYSA-N	1	0	361.445	3.465	50	10		FGCARO
[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cc(Br)ccc2O)N1	ZINC000072751668	494244638	/nfs/dbraw/zinc/24/46/38/494244638.db2.gz	SOZKJKHCBXBUBB-CYBMUJFWSA-N	1	0	358.199	3.001	50	10		FGCARO
Cc1cccc([N+]2=C3SCCCN3[C@@](O)(c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000002966121	204071793	/nfs/dbraw/zinc/07/17/93/204071793.db2.gz	XSBLWZXPWBYVAH-IBGZPJMESA-N	1	0	370.454	3.074	50	10		FGCARO
CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097772	204191271	/nfs/dbraw/zinc/19/12/71/204191271.db2.gz	TYDQLZPMNOQVEK-FQEVSTJZSA-N	1	0	355.482	3.184	50	10		FGCARO
CN1CCc2cc([C@H](CNC(=O)Cc3cccs3)[NH+]3CCCC3)ccc21	ZINC000008963276	263357951	/nfs/dbraw/zinc/35/79/51/263357951.db2.gz	FLKTWSHWJFXTGN-FQEVSTJZSA-N	1	0	369.534	3.236	50	10		FGCARO
COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000013008145	494276518	/nfs/dbraw/zinc/27/65/18/494276518.db2.gz	BLOVLSRBXZPJRF-OAQYLSRUSA-N	1	0	367.493	3.110	50	10		FGCARO
COc1ccc(OC)c([C@@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1	ZINC000005702460	207113356	/nfs/dbraw/zinc/11/33/56/207113356.db2.gz	BROZPKRZPREIPJ-HXUWFJFHSA-N	1	0	357.406	3.323	50	10		FGCARO
CCc1ccc([C@]2(O)CN(c3ccc(OC)cc3)C3=[N+]2CCCS3)cc1	ZINC000002965934	493827247	/nfs/dbraw/zinc/82/72/47/493827247.db2.gz	UNTOYFGODVPQDZ-OAQYLSRUSA-N	1	0	369.510	3.428	50	10		FGCARO
[NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cc(Br)ccc2O)N1	ZINC000061172903	493968104	/nfs/dbraw/zinc/96/81/04/493968104.db2.gz	SOZKJKHCBXBUBB-ZDUSSCGKSA-N	1	0	358.199	3.001	50	10		FGCARO
COc1cccc([C@@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O	ZINC000013142244	494278838	/nfs/dbraw/zinc/27/88/38/494278838.db2.gz	LWFFAIDGWKLELR-RHMWETHNSA-N	1	0	371.433	3.342	50	10		FGCARO
C[C@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1cn2ccsc2n1	ZINC000067894990	494685543	/nfs/dbraw/zinc/68/55/43/494685543.db2.gz	DRZCJFRTJBFIPH-ZDUSSCGKSA-N	1	0	370.478	3.444	50	10		FGCARO
CS(=O)(=O)Nc1cccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)c1	ZINC000089489969	525224252	/nfs/dbraw/zinc/22/42/52/525224252.db2.gz	JOUPKRFECUWXQQ-UHFFFAOYSA-N	1	0	373.522	3.338	50	10		FGCARO
CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000008913960	207251591	/nfs/dbraw/zinc/25/15/91/207251591.db2.gz	ZWRYOSHQTFSMIN-UHFFFAOYSA-N	1	0	358.482	3.460	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)c3cccs3)[NH+]3CCCC3)ccc21	ZINC000008963311	494110407	/nfs/dbraw/zinc/11/04/07/494110407.db2.gz	DHCZAYDBOXGARA-GOSISDBHSA-N	1	0	355.507	3.307	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)c3ccco3)[NH+]3CCCCC3)ccc21	ZINC000011027651	494168739	/nfs/dbraw/zinc/16/87/39/494168739.db2.gz	ZXEWCESVOISADS-LJQANCHMSA-N	1	0	353.466	3.229	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccccn3)no2)c1O	ZINC000065501955	494205513	/nfs/dbraw/zinc/20/55/13/494205513.db2.gz	INFDFFVKQQNKIW-HNNXBMFYSA-N	1	0	352.394	3.183	50	10		FGCARO
CCOc1cccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1O	ZINC000020210263	494469622	/nfs/dbraw/zinc/46/96/22/494469622.db2.gz	LWLYEYHDWTZOOH-UHFFFAOYSA-N	1	0	364.449	3.108	50	10		FGCARO
C[NH+](C)CCN(Cc1ccccc1)Cc1cc(-c2cncnc2)ccc1O	ZINC000023362805	494563330	/nfs/dbraw/zinc/56/33/30/494563330.db2.gz	SKAXKCYKMKITCT-UHFFFAOYSA-N	1	0	362.477	3.413	50	10		FGCARO
COc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C(C)C)CC2)cc1	ZINC000064756239	536997661	/nfs/dbraw/zinc/99/76/61/536997661.db2.gz	ZHXQNLGEYQBYNK-UHFFFAOYSA-N	1	0	367.493	3.156	50	10		FGCARO
CCn1c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2c2c1C(=O)CCC2	ZINC000670441961	571349157	/nfs/dbraw/zinc/34/91/57/571349157.db2.gz	CHIUCTWDJRIJFC-HNNXBMFYSA-N	1	0	367.493	3.204	50	10		FGCARO
COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(Br)cnc2OC)c1	ZINC000851900718	731517001	/nfs/dbraw/zinc/51/70/01/731517001.db2.gz	XKUPJUDRZXOOBA-JTQLQIEISA-N	1	0	367.243	3.418	50	10		FGCARO
CN(C)c1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000058165453	493829454	/nfs/dbraw/zinc/82/94/54/493829454.db2.gz	ZTLSAUJXIFCPGE-UHFFFAOYSA-N	1	0	368.481	3.415	50	10		FGCARO
CCOC(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)NC(C)(C)C)nn1C	ZINC000225428949	497062553	/nfs/dbraw/zinc/06/25/53/497062553.db2.gz	PJOZJFPGGDOZCK-UHFFFAOYSA-O	1	0	374.421	3.133	50	10		FGCARO
COc1ccc(N2CC[NH+](C[C@H](O)c3ccc4cc[nH]c4c3)CC2)cc1	ZINC000020856890	524426185	/nfs/dbraw/zinc/42/61/85/524426185.db2.gz	BTVUMEUGDOGEKP-NRFANRHFSA-N	1	0	351.450	3.032	50	10		FGCARO
COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)[NH+](C)C)cc1	ZINC000013008147	536742355	/nfs/dbraw/zinc/74/23/55/536742355.db2.gz	BLOVLSRBXZPJRF-NRFANRHFSA-N	1	0	367.493	3.110	50	10		FGCARO
COc1ccc(-n2c(C)cc(C[NH2+]CCC(=O)N3CCCC3)c2C)cc1	ZINC000012549075	207390509	/nfs/dbraw/zinc/39/05/09/207390509.db2.gz	DZFSVHNUUUWIAZ-UHFFFAOYSA-N	1	0	355.482	3.205	50	10		FGCARO
CN1CCCc2cc([C@@H](CNC(=O)c3ccco3)[NH+]3CCCC3)ccc21	ZINC000013008238	494275908	/nfs/dbraw/zinc/27/59/08/494275908.db2.gz	OVBFDMAJXNRKBI-LJQANCHMSA-N	1	0	353.466	3.229	50	10		FGCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)c1	ZINC000020601845	494477389	/nfs/dbraw/zinc/47/73/89/494477389.db2.gz	PENRQOGHLCRUNW-HXUWFJFHSA-N	1	0	352.478	3.424	50	10		FGCARO
O=C(N1CCCCC1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1	ZINC000026244725	494812699	/nfs/dbraw/zinc/81/26/99/494812699.db2.gz	OYMCQVKSSFNTAA-UHFFFAOYSA-N	1	0	353.466	3.269	50	10		FGCARO
COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097687	207080458	/nfs/dbraw/zinc/08/04/58/207080458.db2.gz	BYXNBWRYHUPXAD-OAQYLSRUSA-N	1	0	369.509	3.113	50	10		FGCARO
COc1ccc([C@]2(O)C[N+](c3cccc(C)c3)=C3SCCCN32)c(F)c1	ZINC000002966138	493826915	/nfs/dbraw/zinc/82/69/15/493826915.db2.gz	HKTBELAJXILBPV-HXUWFJFHSA-N	1	0	373.473	3.313	50	10		FGCARO
CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1ccccc1O	ZINC000058174858	493830275	/nfs/dbraw/zinc/83/02/75/493830275.db2.gz	HTUSXTQICBHDCR-UHFFFAOYSA-N	1	0	373.409	3.160	50	10		FGCARO
CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1CCc2ccccc2C1	ZINC000035349271	494075116	/nfs/dbraw/zinc/07/51/16/494075116.db2.gz	NXTDBTVMLXDOPB-NRFANRHFSA-N	1	0	351.494	3.378	50	10		FGCARO
NC(=S)N=N/C=C1/SC(=O)N=C1N1C=CC(=C2C=C[NH2+]C=C2)C=C1	ZINC000334158684	497884253	/nfs/dbraw/zinc/88/42/53/497884253.db2.gz	NUTXIYXEXKPYAZ-MNGHVJHISA-N	1	0	356.436	3.059	50	10		FGCARO
COc1cc2c(cc1OC)[C@H](c1cc(Br)ccc1O)[NH2+]CC2	ZINC000022204797	695651360	/nfs/dbraw/zinc/65/13/60/695651360.db2.gz	IACLQLCVZLFYQT-QGZVFWFLSA-N	1	0	364.239	3.407	50	10		FGCARO
COc1ccc(N2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)[C@@H](C)C2)cc1	ZINC000072125371	136142233	/nfs/dbraw/zinc/14/22/33/136142233.db2.gz	AKGUTZOSYGOTPT-HNNXBMFYSA-N	1	0	352.438	3.389	50	10		FGCARO
CCOc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccc(F)cc3)C2)cc1	ZINC000002965967	493827319	/nfs/dbraw/zinc/82/73/19/493827319.db2.gz	MOXVFPNZOAESNM-HXUWFJFHSA-N	1	0	373.473	3.395	50	10		FGCARO
COc1cccc(CNc2[nH+]cc(-c3ccc4c(c3)OCO4)n2C)c1O	ZINC000009805819	207286469	/nfs/dbraw/zinc/28/64/69/207286469.db2.gz	QQLGNVDQJKUIOG-UHFFFAOYSA-N	1	0	353.378	3.142	50	10		FGCARO
Cc1ccc2c(c1)[C@@H]([NH+]1CCN(CCO)CC1)Cc1ccc(F)cc1S2	ZINC000071404354	494092142	/nfs/dbraw/zinc/09/21/42/494092142.db2.gz	NGEOXZLKAAJWOG-IBGZPJMESA-N	1	0	372.509	3.492	50	10		FGCARO
CN1CCc2cc([C@H](CNC(=O)c3cccs3)[NH+]3CCCC3)ccc21	ZINC000008963312	494110690	/nfs/dbraw/zinc/11/06/90/494110690.db2.gz	DHCZAYDBOXGARA-SFHVURJKSA-N	1	0	355.507	3.307	50	10		FGCARO
Cc1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c(C)n1-c1ccccc1	ZINC000426690235	500306986	/nfs/dbraw/zinc/30/69/86/500306986.db2.gz	GIXLVGTYSAGEAM-SFTDATJTSA-N	1	0	367.493	3.077	50	10		FGCARO
CC(C)Oc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1	ZINC000072436788	534980475	/nfs/dbraw/zinc/98/04/75/534980475.db2.gz	CFXPUSWXQYYVCI-UHFFFAOYSA-N	1	0	367.493	3.156	50	10		FGCARO
COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)cc1	ZINC000005097893	207079904	/nfs/dbraw/zinc/07/99/04/207079904.db2.gz	VYGCBDAXGBVVFR-OAQYLSRUSA-N	1	0	367.493	3.328	50	10		FGCARO
COc1cc(C[N@H+](C)Cc2cc3c(cc2O)OCO3)ccc1OC(F)F	ZINC000008072549	207218915	/nfs/dbraw/zinc/21/89/15/207218915.db2.gz	KQXMXUKDADUGSV-UHFFFAOYSA-N	1	0	367.348	3.363	50	10		FGCARO
COc1ccc(OC)c([C@@H](O)c2coc3ccc(O)c(C[NH+](C)C)c32)c1	ZINC000000755079	493771278	/nfs/dbraw/zinc/77/12/78/493771278.db2.gz	CRJMEUQJJQEPRN-HXUWFJFHSA-N	1	0	357.406	3.299	50	10		FGCARO
C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(Br)ccc2O)C[C@@H](C)O1	ZINC000058407518	493849932	/nfs/dbraw/zinc/84/99/32/493849932.db2.gz	QNMSDMGIBHSTRA-CHWSQXEVSA-N	1	0	371.319	3.132	50	10		FGCARO
Oc1ccc(-c2cncnc2)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000064131771	494105954	/nfs/dbraw/zinc/10/59/54/494105954.db2.gz	XTFKUEYPLZYWJV-UHFFFAOYSA-N	1	0	364.424	3.311	50	10		FGCARO
Oc1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1	ZINC000020996843	494485293	/nfs/dbraw/zinc/48/52/93/494485293.db2.gz	PBKOEISOYGMITL-IBGZPJMESA-N	1	0	369.484	3.318	50	10		FGCARO
COc1ccc([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c(OC)c1	ZINC000001587298	210359885	/nfs/dbraw/zinc/35/98/85/210359885.db2.gz	SIIGPJRXGNGZQA-HXUWFJFHSA-N	1	0	357.406	3.323	50	10		FGCARO
CCN(CC)c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1	ZINC000001193359	210333957	/nfs/dbraw/zinc/33/39/57/210333957.db2.gz	ZNTCWSXJLCXLJA-MOPGFXCFSA-N	1	0	351.494	3.314	50	10		FGCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)c1	ZINC000011813034	494191192	/nfs/dbraw/zinc/19/11/92/494191192.db2.gz	WAFXIASSCDLPRX-OAQYLSRUSA-N	1	0	359.441	3.357	50	10		FGCARO
C[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cc(O)ccc1O	ZINC000095940801	494990596	/nfs/dbraw/zinc/99/05/96/494990596.db2.gz	RPHPLVRHTVANLB-JTQLQIEISA-N	1	0	365.227	3.150	50	10		FGCARO
COc1cccc(C[N@@H+]2CCC[C@H](c3nc(-c4cccnc4)no3)C2)c1O	ZINC000065492568	221225563	/nfs/dbraw/zinc/22/55/63/221225563.db2.gz	MNQJHIQCWFDJAZ-INIZCTEOSA-N	1	0	366.421	3.225	50	10		FGCARO
N#[N+]CC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000096329107	222114242	/nfs/dbraw/zinc/11/42/42/222114242.db2.gz	IWVACDCSYKSLKI-IBGZPJMESA-N	1	0	361.401	3.270	50	10		FGCARO
COc1ccc(O)c(C[N@@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)c1	ZINC000011813033	494191442	/nfs/dbraw/zinc/19/14/42/494191442.db2.gz	WAFXIASSCDLPRX-NRFANRHFSA-N	1	0	359.441	3.357	50	10		FGCARO
COc1ccc([C@@H]2C[N@H+](Cc3ccccc3O)[C@H]3[C@@H]2N2CCC3CC2)cc1	ZINC000095383069	494970450	/nfs/dbraw/zinc/97/04/50/494970450.db2.gz	DHSDIDAHRMMHCY-MDNUFGMLSA-N	1	0	364.489	3.463	50	10		FGCARO
Oc1ccc(Cl)cc1C1=NC2(CC[NH2+]CC2)N[C@H](c2ccccc2O)C1	ZINC000015830200	211145461	/nfs/dbraw/zinc/14/54/61/211145461.db2.gz	XWRFAPAMEKGFSG-INIZCTEOSA-N	1	0	371.868	3.355	50	10		FGCARO
CO[C@@H](C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1cccs1	ZINC000065526318	221229821	/nfs/dbraw/zinc/22/98/21/221229821.db2.gz	OYTZCGJFSOJQAG-SFHVURJKSA-N	1	0	360.479	3.423	50	10		FGCARO
CO[C@H](C[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1cccs1	ZINC000065526319	221230177	/nfs/dbraw/zinc/23/01/77/221230177.db2.gz	OYTZCGJFSOJQAG-GOSISDBHSA-N	1	0	360.479	3.423	50	10		FGCARO
Cc1cccnc1C[C@@H](C)[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067868581	221297185	/nfs/dbraw/zinc/29/71/85/221297185.db2.gz	BSUVASHQTQJJNL-MRXNPFEDSA-N	1	0	353.466	3.308	50	10		FGCARO
COc1cc(O)c(C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1OC	ZINC000089350773	522773695	/nfs/dbraw/zinc/77/36/95/522773695.db2.gz	YBWZKEAGXQUYBZ-UHFFFAOYSA-N	1	0	353.422	3.227	50	10		FGCARO
COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(C)o4)C3)CC2)cc1	ZINC000019791249	524434650	/nfs/dbraw/zinc/43/46/50/524434650.db2.gz	DXBGZNCVNVHPER-FQEVSTJZSA-N	1	0	369.509	3.383	50	10		FGCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@H]1c1ccsc1)cc2=O	ZINC000048249388	570937872	/nfs/dbraw/zinc/93/78/72/570937872.db2.gz	DXMMMZOQOXANDX-HNNXBMFYSA-N	1	0	372.450	3.010	50	10		FGCARO
CN(C)c1ccc(C[NH2+]CCCSc2nnnn2-c2ccccc2)cc1	ZINC000016186492	211157004	/nfs/dbraw/zinc/15/70/04/211157004.db2.gz	BDATZGLNVCBHGA-UHFFFAOYSA-N	1	0	368.510	3.000	50	10		FGCARO
NC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21	ZINC000014075678	211069612	/nfs/dbraw/zinc/06/96/12/211069612.db2.gz	MVAJTIJLBTWYGB-HNNXBMFYSA-N	1	0	363.255	3.148	50	10		FGCARO
CC[NH+](CC)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccccc1O	ZINC000010433987	210872300	/nfs/dbraw/zinc/87/23/00/210872300.db2.gz	SIIUYAVYSWCVCY-MRXNPFEDSA-N	1	0	357.479	3.473	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3ccccc3C)=C3SCCCN32)c(F)c1	ZINC000004086805	210508333	/nfs/dbraw/zinc/50/83/33/210508333.db2.gz	CRIRLTHKHWVPCT-FQEVSTJZSA-N	1	0	373.473	3.313	50	10		FGCARO
COc1cccc([C@H]2CC(c3ccccc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298167	221197716	/nfs/dbraw/zinc/19/77/16/221197716.db2.gz	ZNVAJWGMPSAYTQ-LJQANCHMSA-N	1	0	365.477	3.346	50	10		FGCARO
Cc1cccnc1C[C@H](C)[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1	ZINC000067868583	221296323	/nfs/dbraw/zinc/29/63/23/221296323.db2.gz	BSUVASHQTQJJNL-INIZCTEOSA-N	1	0	353.466	3.308	50	10		FGCARO
CCOc1ccc(C[N@@H+]2CCN(c3ccc(OC)cc3)C[C@@H]2C)cc1CO	ZINC000072147092	136142675	/nfs/dbraw/zinc/14/26/75/136142675.db2.gz	PFOPRRVORIZMSL-KRWDZBQOSA-N	1	0	370.493	3.297	50	10		FGCARO
COc1cccc([C@@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@H](C)C(=O)[C@@H]2C)c1O	ZINC000004180558	493868352	/nfs/dbraw/zinc/86/83/52/493868352.db2.gz	LWFFAIDGWKLELR-FRVJLOGJSA-N	1	0	371.433	3.342	50	10		FGCARO
C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1	ZINC000054471484	494238668	/nfs/dbraw/zinc/23/86/68/494238668.db2.gz	XAPSDPCOYBOGRU-INIZCTEOSA-N	1	0	356.510	3.351	50	10		FGCARO
CCOCc1cc(C[NH2+][C@H]2COc3c(cccc3OC)C2)ccc1OC	ZINC000014958202	211106584	/nfs/dbraw/zinc/10/65/84/211106584.db2.gz	BLJAAETUUVEJLT-GOSISDBHSA-N	1	0	357.450	3.334	50	10		FGCARO
CC(C)Oc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000067629925	221263664	/nfs/dbraw/zinc/26/36/64/221263664.db2.gz	DJURNHGNMNNGNB-UHFFFAOYSA-N	1	0	367.493	3.156	50	10		FGCARO
Oc1cc2c(cc1[C@@H](c1ccc3c(c1)OCO3)[NH+]1CCCCC1)OCO2	ZINC000005344584	493925621	/nfs/dbraw/zinc/92/56/21/493925621.db2.gz	HABRLAIPVWNRBF-HXUWFJFHSA-N	1	0	355.390	3.425	50	10		FGCARO
COc1ccc(C2=N[n+]3c4cc(C)c(C)cc4n(C)c3SC2)cc1OC	ZINC000006501361	493964982	/nfs/dbraw/zinc/96/49/82/493964982.db2.gz	LNWDDIPTPRHXNJ-UHFFFAOYSA-N	1	0	368.482	3.458	50	10		FGCARO
COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(SC)cc3)CC2)c1	ZINC000019792276	524741740	/nfs/dbraw/zinc/74/17/40/524741740.db2.gz	SCULCXUYBNSHLY-UHFFFAOYSA-N	1	0	358.507	3.441	50	10		FGCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(Cc4ccncc4)CC3)c2c1	ZINC000022797658	211364966	/nfs/dbraw/zinc/36/49/66/211364966.db2.gz	HLVCEQMMDWYAOZ-UHFFFAOYSA-N	1	0	363.461	3.267	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3cccc(C)c3)=C3SCCCN32)c(F)c1	ZINC000002966137	210442301	/nfs/dbraw/zinc/44/23/01/210442301.db2.gz	HKTBELAJXILBPV-FQEVSTJZSA-N	1	0	373.473	3.313	50	10		FGCARO
COc1cccc([C@@H]2CC(c3ccccc3)=NC3(CC[NH+](C)CC3)N2)c1O	ZINC000065298165	221196967	/nfs/dbraw/zinc/19/69/67/221196967.db2.gz	ZNVAJWGMPSAYTQ-IBGZPJMESA-N	1	0	365.477	3.346	50	10		FGCARO
COc1ccc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cc1O	ZINC000048748938	136123768	/nfs/dbraw/zinc/12/37/68/136123768.db2.gz	LMLHBFFRSXGFKA-GASCZTMLSA-N	1	0	374.456	3.443	50	10		FGCARO
CCNc1cc(C)c(O)c2c1C(=O)C1=C(C2=O)C(=O)C(C)CC1[NH2+]CC	ZINC000100643760	222249246	/nfs/dbraw/zinc/24/92/46/222249246.db2.gz	INWFXCDEOOCMHA-DZGCQCFKSA-N	1	0	356.422	3.083	50	10		FGCARO
Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccccc1F	ZINC000003605709	493856345	/nfs/dbraw/zinc/85/63/45/493856345.db2.gz	GDYPAJHFOBGKPM-UHFFFAOYSA-N	1	0	371.441	3.163	50	10		FGCARO
CCOc1ccc(C[NH2+]C[C@H](C)Oc2cccnc2)cc1COC(C)=O	ZINC000055402558	494338733	/nfs/dbraw/zinc/33/87/33/494338733.db2.gz	MFAILNYKKIDWRI-HNNXBMFYSA-N	1	0	358.438	3.101	50	10		FGCARO
C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(Br)ccc2O)C[C@H](C)O1	ZINC000058407516	212009509	/nfs/dbraw/zinc/00/95/09/212009509.db2.gz	QNMSDMGIBHSTRA-BETUJISGSA-N	1	0	371.319	3.132	50	10		FGCARO
O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)NCc1ccc(N2CCCC2)cc1	ZINC000069897239	221328688	/nfs/dbraw/zinc/32/86/88/221328688.db2.gz	YQMHSVMXHCEVOE-OAQYLSRUSA-N	1	0	363.505	3.393	50	10		FGCARO
CCOc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)c1O	ZINC000006891469	493985016	/nfs/dbraw/zinc/98/50/16/493985016.db2.gz	ALTPWJXUMZAQDE-QGZVFWFLSA-N	1	0	373.478	3.085	50	10		FGCARO
Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1cccc(F)c1	ZINC000008231639	494077728	/nfs/dbraw/zinc/07/77/28/494077728.db2.gz	SPRHIVUTKMOLPU-UHFFFAOYSA-N	1	0	371.441	3.163	50	10		FGCARO
Nc1ccc(CC(=O)NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1	ZINC000670457999	571355362	/nfs/dbraw/zinc/35/53/62/571355362.db2.gz	BJOBXJVVKNPYSO-NRFANRHFSA-N	1	0	351.494	3.372	50	10		FGCARO
CN1CC[NH+]([C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)CC1	ZINC000019680910	220286620	/nfs/dbraw/zinc/28/66/20/220286620.db2.gz	MIGHUSJWTOALIP-FQEVSTJZSA-N	1	0	351.425	3.416	50	10		FGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1	ZINC000022405513	220385302	/nfs/dbraw/zinc/38/53/02/220385302.db2.gz	FZTNXJLJNFJTLW-IBGZPJMESA-N	1	0	370.454	3.074	50	10		FGCARO
CCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C	ZINC000072441872	136147662	/nfs/dbraw/zinc/14/76/62/136147662.db2.gz	BSCSGUXMZIOSFW-UHFFFAOYSA-N	1	0	367.493	3.076	50	10		FGCARO
COc1ccc([C@@]2(O)C[N+](c3ccc(C)cc3)=C3SCCCN32)c(F)c1	ZINC000004086733	493864243	/nfs/dbraw/zinc/86/42/43/493864243.db2.gz	SZUDVUDIFWVKFO-FQEVSTJZSA-N	1	0	373.473	3.313	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)NC3CCCCC3)[NH+]3CCCC3)ccc21	ZINC000035597205	494080117	/nfs/dbraw/zinc/08/01/17/494080117.db2.gz	IZYMFTAQBBGXJX-OAQYLSRUSA-N	1	0	370.541	3.448	50	10		FGCARO
CCOc1ccc(C[NH2+][C@H]2CCCN(Cc3ccccc3F)C2)cc1CO	ZINC000020255895	521008591	/nfs/dbraw/zinc/00/85/91/521008591.db2.gz	QXLGDIDSBCPNHV-FQEVSTJZSA-N	1	0	372.484	3.471	50	10		FGCARO
COc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000096125642	222035540	/nfs/dbraw/zinc/03/55/40/222035540.db2.gz	PAVOOCXWCXSCIS-UHFFFAOYSA-N	1	0	373.884	3.030	50	10		FGCARO
CC(C)[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2O)N3)C1	ZINC000006358283	493961217	/nfs/dbraw/zinc/96/12/17/493961217.db2.gz	NFHHWKGVOMYELI-INIZCTEOSA-N	1	0	359.451	3.355	50	10		FGCARO
Cc1cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c(C)n1-c1ccc(F)cc1	ZINC000007654884	494033014	/nfs/dbraw/zinc/03/30/14/494033014.db2.gz	OPWDJBJUGBKWDY-UHFFFAOYSA-N	1	0	371.441	3.163	50	10		FGCARO
COc1cc2c(cc1[C@@H](c1cc3c(cc1O)OCO3)[NH+]1CCCC1)OCO2	ZINC000036646393	494094960	/nfs/dbraw/zinc/09/49/60/494094960.db2.gz	QATRSYQIZNVQMT-HXUWFJFHSA-N	1	0	371.389	3.043	50	10		FGCARO
COCc1cc(C[NH+]2CCN(c3ccccc3)CC2)c(O)c2ncccc12	ZINC000021167822	494489748	/nfs/dbraw/zinc/48/97/48/494489748.db2.gz	XPSOSXLGRUCTBY-UHFFFAOYSA-N	1	0	363.461	3.409	50	10		FGCARO
COc1ccc2ccc(O)c(C[NH+]3CCN(CC(F)(F)F)CC3)c2c1	ZINC000023254030	494558488	/nfs/dbraw/zinc/55/84/88/494558488.db2.gz	IEPZIOAKBPMEEM-UHFFFAOYSA-N	1	0	354.372	3.234	50	10		FGCARO
OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1C1CCCCC1	ZINC000020994695	220347824	/nfs/dbraw/zinc/34/78/24/220347824.db2.gz	JYWQRGRLPJNWIX-SFHVURJKSA-N	1	0	352.906	3.247	50	10		FGCARO
CSc1ccccc1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1	ZINC000065363328	221202259	/nfs/dbraw/zinc/20/22/59/221202259.db2.gz	KXUVDPOHSGZXHF-UHFFFAOYSA-N	1	0	355.507	3.090	50	10		FGCARO
Cc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000004086727	493864105	/nfs/dbraw/zinc/86/41/05/493864105.db2.gz	VYXBNDXEFANTNC-IBGZPJMESA-N	1	0	370.454	3.074	50	10		FGCARO
CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C	ZINC000005097677	493913348	/nfs/dbraw/zinc/91/33/48/493913348.db2.gz	PUQMEEAIQNJEHR-IBGZPJMESA-N	1	0	355.482	3.184	50	10		FGCARO
COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+]2CCCC2)c1	ZINC000005098021	493913783	/nfs/dbraw/zinc/91/37/83/493913783.db2.gz	VKOGJVGIFPORGK-OAQYLSRUSA-N	1	0	367.493	3.328	50	10		FGCARO
COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCCC1	ZINC000005098016	493913915	/nfs/dbraw/zinc/91/39/15/493913915.db2.gz	FIIIUPVGNIFXBC-FQEVSTJZSA-N	1	0	367.493	3.328	50	10		FGCARO
CCOc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](CC)C4)c1O	ZINC000006891464	493984981	/nfs/dbraw/zinc/98/49/81/493984981.db2.gz	ALTPWJXUMZAQDE-KRWDZBQOSA-N	1	0	373.478	3.085	50	10		FGCARO
CCn1c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2c2c1C(=O)CCC2	ZINC000670441962	571349161	/nfs/dbraw/zinc/34/91/61/571349161.db2.gz	CHIUCTWDJRIJFC-OAHLLOKOSA-N	1	0	367.493	3.204	50	10		FGCARO
CN(C)c1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000047303319	494677299	/nfs/dbraw/zinc/67/72/99/494677299.db2.gz	WAJIWXDUHASCRM-UHFFFAOYSA-N	1	0	351.494	3.281	50	10		FGCARO
CN(C)c1ccc(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000024980664	494687277	/nfs/dbraw/zinc/68/72/77/494687277.db2.gz	QCOZQFFZZIVTBY-UHFFFAOYSA-N	1	0	366.509	3.216	50	10		FGCARO
Cc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2cccc([N+](=O)[O-])c2)C1	ZINC000002966081	219478233	/nfs/dbraw/zinc/47/82/33/219478233.db2.gz	SWGPRULRWZVVBP-IBGZPJMESA-N	1	0	370.454	3.074	50	10		FGCARO
O=C(CC[NH+]1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000003896930	493858885	/nfs/dbraw/zinc/85/88/85/493858885.db2.gz	AYQNFRWVVKFILF-UHFFFAOYSA-N	1	0	362.429	3.277	50	10		FGCARO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(OC)c2O)N3)C1	ZINC000004556324	493882722	/nfs/dbraw/zinc/88/27/22/493882722.db2.gz	LWUZERAPMGQMGU-MRXNPFEDSA-N	1	0	359.451	3.269	50	10		FGCARO
COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cc1	ZINC000005097688	493913564	/nfs/dbraw/zinc/91/35/64/493913564.db2.gz	BYXNBWRYHUPXAD-NRFANRHFSA-N	1	0	369.509	3.113	50	10		FGCARO
COc1ccc(OC)c([C@H](c2cc3c(cc2O)OCO3)[NH+]2CCCC2)c1	ZINC000005702462	493940286	/nfs/dbraw/zinc/94/02/86/493940286.db2.gz	BROZPKRZPREIPJ-FQEVSTJZSA-N	1	0	357.406	3.323	50	10		FGCARO
CCOCc1cc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)ccc1OC	ZINC000014958198	494330580	/nfs/dbraw/zinc/33/05/80/494330580.db2.gz	BLJAAETUUVEJLT-SFHVURJKSA-N	1	0	357.450	3.334	50	10		FGCARO
CC[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1ccccc1O)N2	ZINC000015830055	220166616	/nfs/dbraw/zinc/16/66/16/220166616.db2.gz	MSJZEKXPWLTOGQ-SFHVURJKSA-N	1	0	365.477	3.434	50	10		FGCARO
COc1ccc([C@]2(O)[C@H](C)N(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000002921925	493825706	/nfs/dbraw/zinc/82/57/06/493825706.db2.gz	JKEFHHHDDIZNMW-VBKZILBWSA-N	1	0	373.473	3.394	50	10		FGCARO
Cc1cccc([N+]2=C3SCCCN3[C@](O)(c3cccc([N+](=O)[O-])c3)C2)c1	ZINC000002966127	493826955	/nfs/dbraw/zinc/82/69/55/493826955.db2.gz	VNQMESYJNVYSFA-LJQANCHMSA-N	1	0	370.454	3.074	50	10		FGCARO
O=C(NC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1)c1ccccc1	ZINC000032888199	494023758	/nfs/dbraw/zinc/02/37/58/494023758.db2.gz	UNXATYHXAOQGKZ-UHFFFAOYSA-N	1	0	350.462	3.275	50	10		FGCARO
O=C1CC[C@@]2(CCC[N@@H+](Cc3ccccc3O)C2)CN1Cc1ccncc1	ZINC000072474842	494180507	/nfs/dbraw/zinc/18/05/07/494180507.db2.gz	REWBIKNMJDQBAX-JOCHJYFZSA-N	1	0	365.477	3.192	50	10		FGCARO
CCOC(=O)[C@@]1(CCOC)CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000012298860	494220351	/nfs/dbraw/zinc/22/03/51/494220351.db2.gz	SJTBVMMPYGIAGM-GOSISDBHSA-N	1	0	355.862	3.227	50	10		FGCARO
COc1ccc(OC)c([C@H](O)c2coc3ccc(O)c(C[NH+](C)C)c32)c1	ZINC000000755080	219319509	/nfs/dbraw/zinc/31/95/09/219319509.db2.gz	CRJMEUQJJQEPRN-FQEVSTJZSA-N	1	0	357.406	3.299	50	10		FGCARO
CCC(CC)NC(=O)C[N@H+](CC)Cc1cc(Br)ccc1O	ZINC000076089716	493819896	/nfs/dbraw/zinc/81/98/96/493819896.db2.gz	ZLMGUSWFCINLJT-UHFFFAOYSA-N	1	0	357.292	3.281	50	10		FGCARO
NC(=O)C1CC[NH+](Cc2c(O)ccc3cc(Br)ccc32)CC1	ZINC000003352590	493840089	/nfs/dbraw/zinc/84/00/89/493840089.db2.gz	XSEMHTQVROQTBI-UHFFFAOYSA-N	1	0	363.255	3.005	50	10		FGCARO
Oc1cc2c(cc1[C@H](c1ccc3c(c1)OCO3)[NH+]1CCCCC1)OCO2	ZINC000005344579	493926125	/nfs/dbraw/zinc/92/61/25/493926125.db2.gz	HABRLAIPVWNRBF-FQEVSTJZSA-N	1	0	355.390	3.425	50	10		FGCARO
CN1CCc2cc([C@@H](CNC(=O)c3cccc(F)c3)[NH+]3CCCC3)ccc21	ZINC000008963289	494110817	/nfs/dbraw/zinc/11/08/17/494110817.db2.gz	IXNYQDVOJPOQGU-OAQYLSRUSA-N	1	0	367.468	3.385	50	10		FGCARO
Oc1ccccc1C[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(-n2ccnc2)cc1	ZINC000072433755	494173450	/nfs/dbraw/zinc/17/34/50/494173450.db2.gz	OTYXHESDYNMRDP-JOCHJYFZSA-N	1	0	371.444	3.449	50	10		FGCARO
CCOC(=O)[C@]1(CCOC)CCC[N@H+](Cc2cc(Cl)ccc2O)C1	ZINC000012298861	494219912	/nfs/dbraw/zinc/21/99/12/494219912.db2.gz	SJTBVMMPYGIAGM-SFHVURJKSA-N	1	0	355.862	3.227	50	10		FGCARO
CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H]1c1ccsc1)cc2=O	ZINC000048249385	221002958	/nfs/dbraw/zinc/00/29/58/221002958.db2.gz	DXMMMZOQOXANDX-OAHLLOKOSA-N	1	0	372.450	3.010	50	10		FGCARO
CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)[NH+]3CCCC3)ccc21	ZINC000008963282	263358153	/nfs/dbraw/zinc/35/81/53/263358153.db2.gz	RRTUVOHKTAGDHQ-NRFANRHFSA-N	1	0	367.468	3.385	50	10		FGCARO
COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)c(F)c1	ZINC000003912312	493860107	/nfs/dbraw/zinc/86/01/07/493860107.db2.gz	XCAGNOAFRKBFNG-LJQANCHMSA-N	1	0	359.446	3.005	50	10		FGCARO
Cc1nc2c(n1C1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)c1ccccc1C2=O	ZINC000005490990	493931978	/nfs/dbraw/zinc/93/19/78/493931978.db2.gz	KRBISZPYYXFDBJ-UHFFFAOYSA-N	1	0	351.450	3.449	50	10		FGCARO
CC(C)=CCN1CC[N@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1CCO	ZINC000020782726	519428238	/nfs/dbraw/zinc/42/82/38/519428238.db2.gz	WKPJCYIJHJJMBN-IBGZPJMESA-N	1	0	354.494	3.380	50	10		FGCARO
COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc4cc[nH]c4c3)CC2)cc1	ZINC000020856886	524425820	/nfs/dbraw/zinc/42/58/20/524425820.db2.gz	BTVUMEUGDOGEKP-OAQYLSRUSA-N	1	0	351.450	3.032	50	10		FGCARO